USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=0 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 : amide:sc= -3.12! C(o=-3.1!,f=-7.5!) USER MOD Single : A 37 HIS : no HD1:sc= -8.86! C(o=-8.9!,f=-9.6!) USER MOD Single : B 31 ASN : amide:sc= -2.12! C(o=-2.1!,f=-6.4!) USER MOD Single : B 37 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -2.77! C(o=-2.8!,f=-7.1!) USER MOD Single : C 37 HIS : no HD1:sc= -8.92! C(o=-8.9!,f=-10!) USER MOD Single : D 31 ASN : amide:sc= -3.24! C(o=-3.2!,f=-7.9!) USER MOD Single : D 37 HIS : no HD1:sc= -8.75! C(o=-8.8!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.003 12.949 -5.528 1.00 0.00 N ATOM 108 CA VAL A 27 -0.424 12.242 -4.323 1.00 0.00 C ATOM 109 C VAL A 27 -1.825 11.665 -4.509 1.00 0.00 C ATOM 110 O VAL A 27 -2.131 10.575 -4.024 1.00 0.00 O ATOM 111 CB VAL A 27 -0.390 13.187 -3.113 1.00 0.00 C ATOM 112 CG1 VAL A 27 0.914 13.991 -3.139 1.00 0.00 C ATOM 113 CG2 VAL A 27 -1.585 14.148 -3.154 1.00 0.00 C ATOM 0 HA VAL A 27 0.268 11.419 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.445 12.597 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.944 14.664 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.763 13.309 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.964 14.573 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.548 14.812 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.545 14.740 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.513 13.576 -3.132 1.00 0.00 H new ATOM 123 N VAL A 28 -2.672 12.410 -5.213 1.00 0.00 N ATOM 124 CA VAL A 28 -4.041 11.974 -5.462 1.00 0.00 C ATOM 125 C VAL A 28 -4.054 10.682 -6.271 1.00 0.00 C ATOM 126 O VAL A 28 -4.804 9.754 -5.964 1.00 0.00 O ATOM 127 CB VAL A 28 -4.805 13.062 -6.222 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.207 12.558 -6.569 1.00 0.00 C ATOM 129 CG2 VAL A 28 -4.914 14.314 -5.348 1.00 0.00 C ATOM 0 H VAL A 28 -2.435 13.315 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.525 11.792 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.271 13.305 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.749 13.334 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.129 11.667 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.743 12.313 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.458 15.089 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.447 14.071 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.915 14.675 -5.104 1.00 0.00 H new ATOM 139 N ALA A 29 -3.223 10.628 -7.308 1.00 0.00 N ATOM 140 CA ALA A 29 -3.152 9.442 -8.153 1.00 0.00 C ATOM 141 C ALA A 29 -2.745 8.229 -7.327 1.00 0.00 C ATOM 142 O ALA A 29 -3.262 7.129 -7.523 1.00 0.00 O ATOM 143 CB ALA A 29 -2.136 9.658 -9.278 1.00 0.00 C ATOM 0 H ALA A 29 -2.595 11.384 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.137 9.266 -8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.091 8.766 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.440 10.511 -9.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.153 9.850 -8.848 1.00 0.00 H new ATOM 149 N ALA A 30 -1.822 8.437 -6.394 1.00 0.00 N ATOM 150 CA ALA A 30 -1.362 7.352 -5.537 1.00 0.00 C ATOM 151 C ALA A 30 -2.509 6.842 -4.671 1.00 0.00 C ATOM 152 O ALA A 30 -2.607 5.654 -4.387 1.00 0.00 O ATOM 153 CB ALA A 30 -0.208 7.831 -4.657 1.00 0.00 C ATOM 0 H ALA A 30 -1.381 9.339 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.009 6.534 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.128 7.013 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.617 8.163 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.545 8.660 -4.034 1.00 0.00 H new ATOM 159 N ASN A 31 -3.382 7.741 -4.247 1.00 0.00 N ATOM 160 CA ASN A 31 -4.515 7.336 -3.427 1.00 0.00 C ATOM 161 C ASN A 31 -5.460 6.447 -4.230 1.00 0.00 C ATOM 162 O ASN A 31 -5.971 5.448 -3.725 1.00 0.00 O ATOM 163 CB ASN A 31 -5.273 8.565 -2.927 1.00 0.00 C ATOM 164 CG ASN A 31 -6.504 8.123 -2.145 1.00 0.00 C ATOM 165 OD1 ASN A 31 -6.543 7.010 -1.622 1.00 0.00 O ATOM 166 ND2 ASN A 31 -7.522 8.931 -2.038 1.00 0.00 N ATOM 0 H ASN A 31 -3.332 8.739 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.137 6.775 -2.572 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.626 9.171 -2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.570 9.189 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.351 8.640 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.489 9.854 -2.472 1.00 0.00 H new ATOM 173 N ILE A 32 -5.693 6.830 -5.482 1.00 0.00 N ATOM 174 CA ILE A 32 -6.587 6.074 -6.356 1.00 0.00 C ATOM 175 C ILE A 32 -6.029 4.684 -6.659 1.00 0.00 C ATOM 176 O ILE A 32 -6.767 3.699 -6.652 1.00 0.00 O ATOM 177 CB ILE A 32 -6.797 6.838 -7.667 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.571 8.126 -7.384 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.601 5.975 -8.649 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.538 9.024 -8.622 1.00 0.00 C ATOM 0 H ILE A 32 -5.278 7.656 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.539 5.953 -5.839 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.827 7.076 -8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.602 7.892 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.133 8.646 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.747 6.523 -9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.057 5.053 -8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.571 5.735 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.090 9.942 -8.420 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.504 9.268 -8.867 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.996 8.502 -9.462 1.00 0.00 H new ATOM 192 N ILE A 33 -4.734 4.612 -6.954 1.00 0.00 N ATOM 193 CA ILE A 33 -4.115 3.334 -7.288 1.00 0.00 C ATOM 194 C ILE A 33 -4.139 2.396 -6.079 1.00 0.00 C ATOM 195 O ILE A 33 -4.350 1.192 -6.223 1.00 0.00 O ATOM 196 CB ILE A 33 -2.665 3.564 -7.805 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.305 2.508 -8.875 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.647 3.479 -6.657 1.00 0.00 C ATOM 199 CD1 ILE A 33 -2.775 2.989 -10.252 1.00 0.00 C ATOM 0 H ILE A 33 -4.101 5.412 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.685 2.857 -8.085 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.624 4.562 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.228 2.339 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.775 1.555 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.643 3.644 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.875 4.240 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.700 2.493 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.520 2.243 -11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.855 3.135 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.285 3.932 -10.495 1.00 0.00 H new ATOM 211 N GLY A 34 -3.920 2.956 -4.892 1.00 0.00 N ATOM 212 CA GLY A 34 -3.916 2.162 -3.667 1.00 0.00 C ATOM 213 C GLY A 34 -5.294 1.570 -3.377 1.00 0.00 C ATOM 214 O GLY A 34 -5.414 0.396 -3.026 1.00 0.00 O ATOM 0 H GLY A 34 -3.744 3.951 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.185 1.358 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.603 2.786 -2.829 1.00 0.00 H new ATOM 218 N ILE A 35 -6.332 2.388 -3.524 1.00 0.00 N ATOM 219 CA ILE A 35 -7.694 1.930 -3.274 1.00 0.00 C ATOM 220 C ILE A 35 -8.083 0.838 -4.273 1.00 0.00 C ATOM 221 O ILE A 35 -8.674 -0.179 -3.903 1.00 0.00 O ATOM 222 CB ILE A 35 -8.663 3.110 -3.371 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.392 4.071 -2.208 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.106 2.604 -3.283 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.093 5.405 -2.463 1.00 0.00 C ATOM 0 H ILE A 35 -6.257 3.363 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.746 1.509 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.520 3.623 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.748 3.636 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.319 4.229 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.792 3.448 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.299 1.911 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.255 2.093 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.897 6.084 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.716 5.843 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.167 5.241 -2.551 1.00 0.00 H new ATOM 237 N LEU A 36 -7.735 1.053 -5.538 1.00 0.00 N ATOM 238 CA LEU A 36 -8.042 0.081 -6.580 1.00 0.00 C ATOM 239 C LEU A 36 -7.347 -1.240 -6.273 1.00 0.00 C ATOM 240 O LEU A 36 -7.912 -2.317 -6.475 1.00 0.00 O ATOM 241 CB LEU A 36 -7.585 0.613 -7.944 1.00 0.00 C ATOM 242 CG LEU A 36 -7.840 -0.425 -9.046 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.326 -0.821 -9.075 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.448 0.181 -10.399 1.00 0.00 C ATOM 0 H LEU A 36 -7.244 1.885 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.119 -0.083 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.117 1.535 -8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.523 0.858 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.244 -1.316 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.491 -1.557 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.607 -1.248 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.934 0.062 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.625 -0.548 -11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.048 1.072 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.392 0.451 -10.385 1.00 0.00 H new ATOM 256 N HIS A 37 -6.122 -1.147 -5.772 1.00 0.00 N ATOM 257 CA HIS A 37 -5.359 -2.337 -5.424 1.00 0.00 C ATOM 258 C HIS A 37 -6.108 -3.165 -4.393 1.00 0.00 C ATOM 259 O HIS A 37 -6.124 -4.393 -4.465 1.00 0.00 O ATOM 260 CB HIS A 37 -4.000 -1.941 -4.846 1.00 0.00 C ATOM 261 CG HIS A 37 -3.242 -3.188 -4.490 1.00 0.00 C ATOM 262 ND1 HIS A 37 -2.063 -3.546 -5.118 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.496 -4.181 -3.577 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.659 -4.707 -4.577 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.494 -5.136 -3.634 1.00 0.00 N ATOM 0 H HIS A 37 -5.639 -0.266 -5.599 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.217 -2.926 -6.330 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.439 -1.353 -5.572 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.133 -1.316 -3.963 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.348 -4.213 -2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.762 -5.231 -4.873 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.414 -5.985 -3.074 1.00 0.00 H new ATOM 273 N LEU A 38 -6.705 -2.491 -3.424 1.00 0.00 N ATOM 274 CA LEU A 38 -7.430 -3.184 -2.370 1.00 0.00 C ATOM 275 C LEU A 38 -8.582 -3.989 -2.960 1.00 0.00 C ATOM 276 O LEU A 38 -8.860 -5.096 -2.512 1.00 0.00 O ATOM 277 CB LEU A 38 -7.946 -2.162 -1.330 1.00 0.00 C ATOM 278 CG LEU A 38 -7.113 -2.235 -0.038 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.351 -0.974 0.785 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.520 -3.464 0.789 1.00 0.00 C ATOM 0 H LEU A 38 -6.703 -1.474 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.756 -3.879 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.895 -1.155 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.994 -2.362 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.058 -2.317 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.763 -1.021 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.052 -0.100 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.409 -0.898 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.923 -3.503 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.576 -3.394 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.350 -4.368 0.205 1.00 0.00 H new ATOM 292 N ILE A 39 -9.253 -3.437 -3.957 1.00 0.00 N ATOM 293 CA ILE A 39 -10.367 -4.148 -4.562 1.00 0.00 C ATOM 294 C ILE A 39 -9.876 -5.465 -5.165 1.00 0.00 C ATOM 295 O ILE A 39 -10.507 -6.509 -4.991 1.00 0.00 O ATOM 296 CB ILE A 39 -11.008 -3.285 -5.653 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.677 -2.065 -5.009 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.062 -4.103 -6.404 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.102 -1.069 -6.092 1.00 0.00 C ATOM 0 H ILE A 39 -9.053 -2.520 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.111 -4.361 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.239 -2.956 -6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.546 -2.379 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.987 -1.587 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.516 -3.486 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.590 -4.972 -6.862 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.831 -4.433 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.576 -0.205 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.225 -0.743 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.808 -1.548 -6.771 1.00 0.00 H new ATOM 311 N LEU A 40 -8.752 -5.414 -5.872 1.00 0.00 N ATOM 312 CA LEU A 40 -8.194 -6.615 -6.490 1.00 0.00 C ATOM 313 C LEU A 40 -7.688 -7.606 -5.437 1.00 0.00 C ATOM 314 O LEU A 40 -7.921 -8.811 -5.548 1.00 0.00 O ATOM 315 CB LEU A 40 -7.050 -6.230 -7.432 1.00 0.00 C ATOM 316 CG LEU A 40 -7.528 -5.168 -8.428 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.368 -4.782 -9.349 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.692 -5.721 -9.268 1.00 0.00 C ATOM 0 H LEU A 40 -8.212 -4.563 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.989 -7.102 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.207 -5.848 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.697 -7.111 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.872 -4.290 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.703 -4.027 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.548 -4.381 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.025 -5.663 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.026 -4.960 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.359 -6.602 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.518 -5.993 -8.611 1.00 0.00 H new ATOM 330 N TRP A 41 -6.994 -7.096 -4.423 1.00 0.00 N ATOM 331 CA TRP A 41 -6.455 -7.948 -3.360 1.00 0.00 C ATOM 332 C TRP A 41 -7.584 -8.532 -2.509 1.00 0.00 C ATOM 333 O TRP A 41 -7.546 -9.706 -2.137 1.00 0.00 O ATOM 334 CB TRP A 41 -5.469 -7.143 -2.504 1.00 0.00 C ATOM 335 CG TRP A 41 -4.883 -7.988 -1.412 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.821 -8.819 -1.540 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.262 -8.033 -0.010 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.558 -9.400 -0.313 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.415 -8.940 0.661 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.259 -7.384 0.734 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.553 -9.191 2.022 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.396 -7.632 2.106 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.545 -8.534 2.745 1.00 0.00 C ATOM 0 H TRP A 41 -6.791 -6.103 -4.313 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.920 -8.785 -3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.670 -6.754 -3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.979 -6.284 -2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.270 -8.998 -2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.820 -10.085 -0.150 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.925 -6.688 0.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.895 -9.891 2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.163 -7.123 2.671 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.656 -8.723 3.803 1.00 0.00 H new ATOM 354 N ILE A 42 -8.601 -7.719 -2.222 1.00 0.00 N ATOM 355 CA ILE A 42 -9.741 -8.189 -1.434 1.00 0.00 C ATOM 356 C ILE A 42 -10.482 -9.281 -2.203 1.00 0.00 C ATOM 357 O ILE A 42 -10.875 -10.298 -1.633 1.00 0.00 O ATOM 358 CB ILE A 42 -10.704 -7.022 -1.133 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.058 -6.033 -0.135 1.00 0.00 C ATOM 360 CG2 ILE A 42 -12.023 -7.562 -0.561 1.00 0.00 C ATOM 361 CD1 ILE A 42 -10.234 -6.503 1.318 1.00 0.00 C ATOM 0 H ILE A 42 -8.660 -6.745 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.373 -8.593 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.911 -6.492 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.996 -5.930 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.507 -5.047 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.696 -6.731 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.487 -8.231 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.823 -8.108 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.768 -5.784 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.296 -6.581 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.763 -7.478 1.445 1.00 0.00 H new ATOM 373 N LEU A 43 -10.673 -9.055 -3.500 1.00 0.00 N ATOM 374 CA LEU A 43 -11.376 -10.017 -4.343 1.00 0.00 C ATOM 375 C LEU A 43 -10.622 -11.340 -4.396 1.00 0.00 C ATOM 376 O LEU A 43 -11.226 -12.412 -4.377 1.00 0.00 O ATOM 377 CB LEU A 43 -11.533 -9.447 -5.759 1.00 0.00 C ATOM 378 CG LEU A 43 -12.269 -10.448 -6.667 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.657 -10.771 -6.090 1.00 0.00 C ATOM 380 CD2 LEU A 43 -12.424 -9.826 -8.060 1.00 0.00 C ATOM 0 H LEU A 43 -10.353 -8.219 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.361 -10.200 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.086 -8.509 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.552 -9.222 -6.177 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.695 -11.372 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.166 -11.480 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.546 -11.207 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.244 -9.855 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.944 -10.525 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.999 -8.903 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.439 -9.607 -8.472 1.00 0.00 H new ATOM 392 N ASP A 44 -9.299 -11.262 -4.476 1.00 0.00 N ATOM 393 CA ASP A 44 -8.478 -12.467 -4.543 1.00 0.00 C ATOM 394 C ASP A 44 -8.693 -13.327 -3.305 1.00 0.00 C ATOM 395 O ASP A 44 -8.828 -14.547 -3.400 1.00 0.00 O ATOM 396 CB ASP A 44 -7.000 -12.080 -4.645 1.00 0.00 C ATOM 397 CG ASP A 44 -6.711 -11.494 -6.022 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.517 -11.702 -6.915 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.695 -10.837 -6.159 1.00 0.00 O ATOM 0 H ASP A 44 -8.775 -10.387 -4.496 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.769 -13.038 -5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.751 -11.353 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.373 -12.955 -4.474 1.00 0.00 H new ATOM 404 N ARG A 45 -8.723 -12.683 -2.144 1.00 0.00 N ATOM 405 CA ARG A 45 -8.924 -13.397 -0.886 1.00 0.00 C ATOM 406 C ARG A 45 -10.410 -13.616 -0.614 1.00 0.00 C ATOM 407 O ARG A 45 -10.778 -14.403 0.256 1.00 0.00 O ATOM 408 CB ARG A 45 -8.302 -12.608 0.266 1.00 0.00 C ATOM 409 CG ARG A 45 -6.777 -12.642 0.147 1.00 0.00 C ATOM 410 CD ARG A 45 -6.159 -11.829 1.284 1.00 0.00 C ATOM 411 NE ARG A 45 -4.701 -11.845 1.184 1.00 0.00 N ATOM 412 CZ ARG A 45 -3.982 -12.824 1.725 1.00 0.00 C ATOM 413 NH1 ARG A 45 -4.575 -13.798 2.362 1.00 0.00 N ATOM 414 NH2 ARG A 45 -2.681 -12.812 1.619 1.00 0.00 N ATOM 0 H ARG A 45 -8.612 -11.674 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.440 -14.370 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.655 -11.577 0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.612 -13.033 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.421 -13.672 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.467 -12.235 -0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.522 -10.802 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.469 -12.240 2.245 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.226 -11.090 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.592 -13.809 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.022 -14.548 2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.217 -12.052 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.129 -13.563 2.034 1.00 0.00 H new ATOM 617 N VAL B 27 7.145 12.143 0.943 1.00 0.00 N ATOM 618 CA VAL B 27 5.860 11.634 0.485 1.00 0.00 C ATOM 619 C VAL B 27 5.961 11.155 -0.959 1.00 0.00 C ATOM 620 O VAL B 27 5.343 10.162 -1.344 1.00 0.00 O ATOM 621 CB VAL B 27 4.785 12.720 0.611 1.00 0.00 C ATOM 622 CG1 VAL B 27 4.919 13.402 1.975 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.941 13.762 -0.504 1.00 0.00 C ATOM 0 HA VAL B 27 5.578 10.788 1.111 1.00 0.00 H new ATOM 0 HB VAL B 27 3.801 12.260 0.520 1.00 0.00 H new ATOM 0 HG11 VAL B 27 4.157 14.176 2.071 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.788 12.663 2.766 1.00 0.00 H new ATOM 0 HG13 VAL B 27 5.907 13.853 2.061 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.170 14.525 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.924 14.227 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL B 27 4.840 13.275 -1.474 1.00 0.00 H new ATOM 633 N VAL B 28 6.747 11.874 -1.755 1.00 0.00 N ATOM 634 CA VAL B 28 6.929 11.526 -3.158 1.00 0.00 C ATOM 635 C VAL B 28 7.568 10.146 -3.290 1.00 0.00 C ATOM 636 O VAL B 28 7.140 9.330 -4.105 1.00 0.00 O ATOM 637 CB VAL B 28 7.817 12.568 -3.842 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.087 12.144 -5.287 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.108 13.924 -3.834 1.00 0.00 C ATOM 0 H VAL B 28 7.266 12.698 -1.453 1.00 0.00 H new ATOM 0 HA VAL B 28 5.951 11.508 -3.639 1.00 0.00 H new ATOM 0 HB VAL B 28 8.762 12.646 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL B 28 8.719 12.887 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.592 11.178 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.143 12.064 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.739 14.667 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.163 13.843 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.917 14.228 -2.805 1.00 0.00 H new ATOM 649 N ALA B 29 8.592 9.892 -2.480 1.00 0.00 N ATOM 650 CA ALA B 29 9.279 8.606 -2.519 1.00 0.00 C ATOM 651 C ALA B 29 8.306 7.479 -2.201 1.00 0.00 C ATOM 652 O ALA B 29 8.357 6.410 -2.809 1.00 0.00 O ATOM 653 CB ALA B 29 10.426 8.594 -1.507 1.00 0.00 C ATOM 0 H ALA B 29 8.961 10.552 -1.796 1.00 0.00 H new ATOM 0 HA ALA B 29 9.681 8.457 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.933 7.630 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA B 29 11.134 9.386 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA B 29 10.029 8.758 -0.505 1.00 0.00 H new ATOM 659 N ALA B 30 7.413 7.727 -1.248 1.00 0.00 N ATOM 660 CA ALA B 30 6.427 6.726 -0.865 1.00 0.00 C ATOM 661 C ALA B 30 5.495 6.428 -2.036 1.00 0.00 C ATOM 662 O ALA B 30 5.061 5.298 -2.226 1.00 0.00 O ATOM 663 CB ALA B 30 5.620 7.215 0.338 1.00 0.00 C ATOM 0 H ALA B 30 7.353 8.605 -0.732 1.00 0.00 H new ATOM 0 HA ALA B 30 6.948 5.809 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.886 6.459 0.615 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.291 7.394 1.178 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.107 8.141 0.080 1.00 0.00 H new ATOM 669 N ASN B 31 5.186 7.445 -2.825 1.00 0.00 N ATOM 670 CA ASN B 31 4.314 7.241 -3.972 1.00 0.00 C ATOM 671 C ASN B 31 4.991 6.339 -5.000 1.00 0.00 C ATOM 672 O ASN B 31 4.359 5.459 -5.585 1.00 0.00 O ATOM 673 CB ASN B 31 3.971 8.584 -4.619 1.00 0.00 C ATOM 674 CG ASN B 31 3.127 8.352 -5.867 1.00 0.00 C ATOM 675 OD1 ASN B 31 2.460 7.324 -5.984 1.00 0.00 O ATOM 676 ND2 ASN B 31 3.117 9.251 -6.813 1.00 0.00 N ATOM 0 H ASN B 31 5.518 8.401 -2.697 1.00 0.00 H new ATOM 0 HA ASN B 31 3.397 6.763 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN B 31 3.428 9.211 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN B 31 4.885 9.117 -4.880 1.00 0.00 H new ATOM 0 HD21 ASN B 31 2.556 9.103 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN B 31 3.670 10.102 -6.714 1.00 0.00 H new ATOM 683 N ILE B 32 6.283 6.576 -5.222 1.00 0.00 N ATOM 684 CA ILE B 32 7.045 5.792 -6.188 1.00 0.00 C ATOM 685 C ILE B 32 7.173 4.334 -5.750 1.00 0.00 C ATOM 686 O ILE B 32 7.035 3.422 -6.566 1.00 0.00 O ATOM 687 CB ILE B 32 8.444 6.398 -6.356 1.00 0.00 C ATOM 688 CG1 ILE B 32 8.325 7.771 -7.018 1.00 0.00 C ATOM 689 CG2 ILE B 32 9.303 5.488 -7.241 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.667 8.500 -6.931 1.00 0.00 C ATOM 0 H ILE B 32 6.821 7.302 -4.748 1.00 0.00 H new ATOM 0 HA ILE B 32 6.509 5.817 -7.137 1.00 0.00 H new ATOM 0 HB ILE B 32 8.911 6.497 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE B 32 8.027 7.659 -8.061 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.549 8.357 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE B 32 10.295 5.924 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.390 4.506 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.835 5.386 -8.220 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.581 9.479 -7.403 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.946 8.625 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.432 7.916 -7.443 1.00 0.00 H new ATOM 702 N ILE B 33 7.464 4.118 -4.470 1.00 0.00 N ATOM 703 CA ILE B 33 7.637 2.761 -3.963 1.00 0.00 C ATOM 704 C ILE B 33 6.318 1.988 -4.045 1.00 0.00 C ATOM 705 O ILE B 33 6.305 0.798 -4.356 1.00 0.00 O ATOM 706 CB ILE B 33 8.187 2.804 -2.509 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.112 1.595 -2.249 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.041 2.786 -1.485 1.00 0.00 C ATOM 709 CD1 ILE B 33 10.537 1.930 -2.703 1.00 0.00 C ATOM 0 H ILE B 33 7.584 4.854 -3.774 1.00 0.00 H new ATOM 0 HA ILE B 33 8.364 2.236 -4.582 1.00 0.00 H new ATOM 0 HB ILE B 33 8.751 3.730 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.107 1.342 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE B 33 8.744 0.721 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE B 33 7.454 2.817 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.400 3.653 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE B 33 6.456 1.875 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE B 33 11.188 1.075 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE B 33 10.535 2.161 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE B 33 10.903 2.792 -2.146 1.00 0.00 H new ATOM 721 N GLY B 34 5.215 2.674 -3.760 1.00 0.00 N ATOM 722 CA GLY B 34 3.897 2.043 -3.803 1.00 0.00 C ATOM 723 C GLY B 34 3.527 1.609 -5.220 1.00 0.00 C ATOM 724 O GLY B 34 3.028 0.504 -5.430 1.00 0.00 O ATOM 0 H GLY B 34 5.205 3.660 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.886 1.176 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY B 34 3.147 2.739 -3.428 1.00 0.00 H new ATOM 728 N ILE B 35 3.771 2.485 -6.189 1.00 0.00 N ATOM 729 CA ILE B 35 3.458 2.178 -7.581 1.00 0.00 C ATOM 730 C ILE B 35 4.308 1.006 -8.074 1.00 0.00 C ATOM 731 O ILE B 35 3.807 0.095 -8.740 1.00 0.00 O ATOM 732 CB ILE B 35 3.699 3.414 -8.452 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.668 4.487 -8.083 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.540 3.044 -9.929 1.00 0.00 C ATOM 735 CD1 ILE B 35 3.087 5.833 -8.672 1.00 0.00 C ATOM 0 H ILE B 35 4.181 3.407 -6.039 1.00 0.00 H new ATOM 0 HA ILE B 35 2.408 1.894 -7.652 1.00 0.00 H new ATOM 0 HB ILE B 35 4.708 3.791 -8.284 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.685 4.205 -8.461 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.583 4.565 -6.999 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.712 3.926 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.263 2.272 -10.190 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.531 2.670 -10.104 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.351 6.591 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE B 35 4.061 6.117 -8.273 1.00 0.00 H new ATOM 0 HD13 ILE B 35 3.149 5.752 -9.757 1.00 0.00 H new ATOM 747 N LEU B 36 5.592 1.028 -7.730 1.00 0.00 N ATOM 748 CA LEU B 36 6.500 -0.039 -8.131 1.00 0.00 C ATOM 749 C LEU B 36 6.030 -1.364 -7.544 1.00 0.00 C ATOM 750 O LEU B 36 6.087 -2.407 -8.199 1.00 0.00 O ATOM 751 CB LEU B 36 7.923 0.276 -7.654 1.00 0.00 C ATOM 752 CG LEU B 36 8.884 -0.868 -8.013 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.853 -1.140 -9.525 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.302 -0.471 -7.592 1.00 0.00 C ATOM 0 H LEU B 36 6.024 1.769 -7.178 1.00 0.00 H new ATOM 0 HA LEU B 36 6.504 -0.115 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.268 1.204 -8.111 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.924 0.433 -6.575 1.00 0.00 H new ATOM 0 HG LEU B 36 8.577 -1.775 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.539 -1.953 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.843 -1.419 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.155 -0.241 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.994 -1.275 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.597 0.437 -8.117 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.326 -0.292 -6.517 1.00 0.00 H new ATOM 766 N HIS B 37 5.552 -1.313 -6.306 1.00 0.00 N ATOM 767 CA HIS B 37 5.058 -2.509 -5.640 1.00 0.00 C ATOM 768 C HIS B 37 3.927 -3.133 -6.436 1.00 0.00 C ATOM 769 O HIS B 37 3.839 -4.354 -6.556 1.00 0.00 O ATOM 770 CB HIS B 37 4.541 -2.159 -4.246 1.00 0.00 C ATOM 771 CG HIS B 37 4.033 -3.408 -3.586 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.611 -3.936 -2.446 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.998 -4.253 -3.904 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.927 -5.047 -2.127 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.935 -5.285 -2.981 1.00 0.00 N ATOM 0 H HIS B 37 5.497 -0.461 -5.747 1.00 0.00 H new ATOM 0 HA HIS B 37 5.883 -3.218 -5.563 1.00 0.00 H new ATOM 0 HB2 HIS B 37 5.338 -1.715 -3.649 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.744 -1.419 -4.315 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.333 -4.132 -4.746 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.155 -5.673 -1.277 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.272 -6.059 -2.961 1.00 0.00 H new ATOM 783 N LEU B 38 3.049 -2.292 -6.960 1.00 0.00 N ATOM 784 CA LEU B 38 1.910 -2.783 -7.722 1.00 0.00 C ATOM 785 C LEU B 38 2.385 -3.557 -8.947 1.00 0.00 C ATOM 786 O LEU B 38 1.799 -4.572 -9.308 1.00 0.00 O ATOM 787 CB LEU B 38 1.004 -1.598 -8.134 1.00 0.00 C ATOM 788 CG LEU B 38 -0.285 -1.580 -7.290 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.946 -0.210 -7.405 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.261 -2.657 -7.786 1.00 0.00 C ATOM 0 H LEU B 38 3.101 -1.277 -6.874 1.00 0.00 H new ATOM 0 HA LEU B 38 1.329 -3.463 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.543 -0.659 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.751 -1.677 -9.191 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.030 -1.783 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.858 -0.195 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.262 0.556 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.191 -0.011 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.167 -2.633 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.515 -2.465 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.794 -3.638 -7.701 1.00 0.00 H new ATOM 802 N ILE B 39 3.444 -3.083 -9.583 1.00 0.00 N ATOM 803 CA ILE B 39 3.947 -3.771 -10.761 1.00 0.00 C ATOM 804 C ILE B 39 4.381 -5.191 -10.390 1.00 0.00 C ATOM 805 O ILE B 39 4.071 -6.148 -11.101 1.00 0.00 O ATOM 806 CB ILE B 39 5.136 -3.003 -11.347 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.649 -1.661 -11.903 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.771 -3.819 -12.478 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.847 -0.777 -12.263 1.00 0.00 C ATOM 0 H ILE B 39 3.961 -2.246 -9.313 1.00 0.00 H new ATOM 0 HA ILE B 39 3.153 -3.823 -11.506 1.00 0.00 H new ATOM 0 HB ILE B 39 5.876 -2.831 -10.565 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.031 -1.826 -12.785 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.024 -1.158 -11.165 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.616 -3.270 -12.893 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.117 -4.776 -12.087 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.032 -3.993 -13.260 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.491 0.175 -12.657 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.448 -0.598 -11.372 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.455 -1.277 -13.017 1.00 0.00 H new ATOM 821 N LEU B 40 5.095 -5.322 -9.276 1.00 0.00 N ATOM 822 CA LEU B 40 5.556 -6.635 -8.830 1.00 0.00 C ATOM 823 C LEU B 40 4.390 -7.523 -8.389 1.00 0.00 C ATOM 824 O LEU B 40 4.345 -8.709 -8.723 1.00 0.00 O ATOM 825 CB LEU B 40 6.547 -6.471 -7.672 1.00 0.00 C ATOM 826 CG LEU B 40 7.667 -5.506 -8.077 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.634 -5.338 -6.903 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.424 -6.060 -9.295 1.00 0.00 C ATOM 0 H LEU B 40 5.365 -4.546 -8.671 1.00 0.00 H new ATOM 0 HA LEU B 40 6.048 -7.121 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.030 -6.092 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.969 -7.439 -7.403 1.00 0.00 H new ATOM 0 HG LEU B 40 7.235 -4.540 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.433 -4.653 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.097 -4.936 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.062 -6.306 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.218 -5.368 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.858 -7.028 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.733 -6.178 -10.130 1.00 0.00 H new ATOM 840 N TRP B 41 3.454 -6.947 -7.638 1.00 0.00 N ATOM 841 CA TRP B 41 2.296 -7.699 -7.155 1.00 0.00 C ATOM 842 C TRP B 41 1.370 -8.076 -8.314 1.00 0.00 C ATOM 843 O TRP B 41 0.853 -9.192 -8.364 1.00 0.00 O ATOM 844 CB TRP B 41 1.555 -6.877 -6.091 1.00 0.00 C ATOM 845 CG TRP B 41 0.369 -7.625 -5.560 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.399 -8.553 -4.571 1.00 0.00 C ATOM 847 CD2 TRP B 41 -1.029 -7.465 -5.920 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.889 -8.998 -4.338 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.804 -8.350 -5.140 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.691 -6.647 -6.848 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -3.185 -8.419 -5.281 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -3.083 -6.710 -6.985 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.826 -7.595 -6.203 1.00 0.00 C ATOM 0 H TRP B 41 3.473 -5.968 -7.352 1.00 0.00 H new ATOM 0 HA TRP B 41 2.638 -8.628 -6.699 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.235 -6.639 -5.273 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.229 -5.930 -6.521 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.284 -8.889 -4.051 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -1.132 -9.717 -3.657 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -1.123 -5.964 -7.461 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.758 -9.108 -4.679 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -3.583 -6.072 -7.698 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.899 -7.641 -6.313 1.00 0.00 H new ATOM 864 N ILE B 42 1.182 -7.152 -9.254 1.00 0.00 N ATOM 865 CA ILE B 42 0.336 -7.420 -10.416 1.00 0.00 C ATOM 866 C ILE B 42 0.954 -8.537 -11.256 1.00 0.00 C ATOM 867 O ILE B 42 0.259 -9.437 -11.722 1.00 0.00 O ATOM 868 CB ILE B 42 0.179 -6.150 -11.276 1.00 0.00 C ATOM 869 CG1 ILE B 42 -0.681 -5.100 -10.535 1.00 0.00 C ATOM 870 CG2 ILE B 42 -0.463 -6.502 -12.625 1.00 0.00 C ATOM 871 CD1 ILE B 42 -2.184 -5.367 -10.730 1.00 0.00 C ATOM 0 H ILE B 42 1.599 -6.221 -9.236 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.649 -7.729 -10.066 1.00 0.00 H new ATOM 0 HB ILE B 42 1.167 -5.726 -11.455 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.442 -5.116 -9.472 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -0.436 -4.103 -10.901 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -0.569 -5.598 -13.224 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.169 -7.216 -13.154 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.445 -6.943 -12.456 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.760 -4.611 -10.196 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.426 -5.325 -11.792 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.432 -6.354 -10.340 1.00 0.00 H new ATOM 883 N LEU B 43 2.267 -8.462 -11.450 1.00 0.00 N ATOM 884 CA LEU B 43 2.978 -9.461 -12.242 1.00 0.00 C ATOM 885 C LEU B 43 2.867 -10.838 -11.599 1.00 0.00 C ATOM 886 O LEU B 43 2.708 -11.846 -12.288 1.00 0.00 O ATOM 887 CB LEU B 43 4.455 -9.065 -12.375 1.00 0.00 C ATOM 888 CG LEU B 43 5.223 -10.106 -13.206 1.00 0.00 C ATOM 889 CD1 LEU B 43 4.602 -10.237 -14.606 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.682 -9.655 -13.331 1.00 0.00 C ATOM 0 H LEU B 43 2.859 -7.723 -11.071 1.00 0.00 H new ATOM 0 HA LEU B 43 2.524 -9.505 -13.232 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.533 -8.086 -12.847 1.00 0.00 H new ATOM 0 HB3 LEU B 43 4.904 -8.979 -11.386 1.00 0.00 H new ATOM 0 HG LEU B 43 5.170 -11.076 -12.711 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.157 -10.978 -15.182 1.00 0.00 H new ATOM 0 HD12 LEU B 43 3.563 -10.552 -14.515 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.646 -9.274 -15.115 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.239 -10.385 -13.919 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.722 -8.684 -13.825 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.124 -9.575 -12.338 1.00 0.00 H new ATOM 902 N ASP B 44 2.964 -10.882 -10.274 1.00 0.00 N ATOM 903 CA ASP B 44 2.883 -12.149 -9.557 1.00 0.00 C ATOM 904 C ASP B 44 1.544 -12.825 -9.821 1.00 0.00 C ATOM 905 O ASP B 44 1.482 -14.032 -10.056 1.00 0.00 O ATOM 906 CB ASP B 44 3.042 -11.906 -8.054 1.00 0.00 C ATOM 907 CG ASP B 44 4.485 -11.534 -7.734 1.00 0.00 C ATOM 908 OD1 ASP B 44 5.337 -11.764 -8.577 1.00 0.00 O ATOM 909 OD2 ASP B 44 4.720 -11.019 -6.653 1.00 0.00 O ATOM 0 H ASP B 44 3.097 -10.064 -9.680 1.00 0.00 H new ATOM 0 HA ASP B 44 3.684 -12.799 -9.910 1.00 0.00 H new ATOM 0 HB2 ASP B 44 2.373 -11.107 -7.734 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.758 -12.801 -7.501 1.00 0.00 H new ATOM 914 N ARG B 45 0.475 -12.040 -9.782 1.00 0.00 N ATOM 915 CA ARG B 45 -0.864 -12.570 -10.022 1.00 0.00 C ATOM 916 C ARG B 45 -1.171 -12.629 -11.516 1.00 0.00 C ATOM 917 O ARG B 45 -2.137 -13.266 -11.932 1.00 0.00 O ATOM 918 CB ARG B 45 -1.902 -11.696 -9.321 1.00 0.00 C ATOM 919 CG ARG B 45 -1.780 -11.870 -7.805 1.00 0.00 C ATOM 920 CD ARG B 45 -2.801 -10.974 -7.106 1.00 0.00 C ATOM 921 NE ARG B 45 -2.700 -11.124 -5.657 1.00 0.00 N ATOM 922 CZ ARG B 45 -3.360 -12.084 -5.011 1.00 0.00 C ATOM 923 NH1 ARG B 45 -4.118 -12.914 -5.673 1.00 0.00 N ATOM 924 NH2 ARG B 45 -3.247 -12.192 -3.716 1.00 0.00 N ATOM 0 H ARG B 45 0.507 -11.039 -9.588 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.905 -13.583 -9.621 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.753 -10.650 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.905 -11.970 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.948 -12.912 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.772 -11.614 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.632 -9.934 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.807 -11.232 -7.436 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.112 -10.480 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.205 -12.828 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.623 -13.649 -5.178 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -2.654 -11.542 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.752 -12.926 -3.220 1.00 0.00 H new ATOM 1127 N VAL C 27 0.214 11.490 8.100 1.00 0.00 N ATOM 1128 CA VAL C 27 0.607 11.039 6.771 1.00 0.00 C ATOM 1129 C VAL C 27 1.996 10.405 6.815 1.00 0.00 C ATOM 1130 O VAL C 27 2.271 9.431 6.114 1.00 0.00 O ATOM 1131 CB VAL C 27 0.589 12.216 5.786 1.00 0.00 C ATOM 1132 CG1 VAL C 27 -0.696 13.025 5.992 1.00 0.00 C ATOM 1133 CG2 VAL C 27 1.810 13.118 6.012 1.00 0.00 C ATOM 0 HA VAL C 27 -0.106 10.288 6.431 1.00 0.00 H new ATOM 0 HB VAL C 27 0.624 11.831 4.767 1.00 0.00 H new ATOM 0 HG11 VAL C 27 -0.714 13.863 5.295 1.00 0.00 H new ATOM 0 HG12 VAL C 27 -1.561 12.386 5.814 1.00 0.00 H new ATOM 0 HG13 VAL C 27 -0.728 13.403 7.014 1.00 0.00 H new ATOM 0 HG21 VAL C 27 1.784 13.949 5.307 1.00 0.00 H new ATOM 0 HG22 VAL C 27 1.792 13.506 7.030 1.00 0.00 H new ATOM 0 HG23 VAL C 27 2.722 12.541 5.860 1.00 0.00 H new ATOM 1143 N VAL C 28 2.867 10.971 7.646 1.00 0.00 N ATOM 1144 CA VAL C 28 4.228 10.461 7.780 1.00 0.00 C ATOM 1145 C VAL C 28 4.215 9.029 8.304 1.00 0.00 C ATOM 1146 O VAL C 28 4.939 8.168 7.802 1.00 0.00 O ATOM 1147 CB VAL C 28 5.023 11.350 8.739 1.00 0.00 C ATOM 1148 CG1 VAL C 28 6.415 10.755 8.957 1.00 0.00 C ATOM 1149 CG2 VAL C 28 5.156 12.753 8.142 1.00 0.00 C ATOM 0 H VAL C 28 2.656 11.778 8.233 1.00 0.00 H new ATOM 0 HA VAL C 28 4.700 10.471 6.797 1.00 0.00 H new ATOM 0 HB VAL C 28 4.501 11.408 9.694 1.00 0.00 H new ATOM 0 HG11 VAL C 28 6.979 11.390 9.640 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.321 9.756 9.384 1.00 0.00 H new ATOM 0 HG13 VAL C 28 6.938 10.694 8.003 1.00 0.00 H new ATOM 0 HG21 VAL C 28 5.722 13.387 8.825 1.00 0.00 H new ATOM 0 HG22 VAL C 28 5.676 12.694 7.186 1.00 0.00 H new ATOM 0 HG23 VAL C 28 4.164 13.179 7.990 1.00 0.00 H new ATOM 1159 N ALA C 29 3.391 8.781 9.318 1.00 0.00 N ATOM 1160 CA ALA C 29 3.299 7.447 9.900 1.00 0.00 C ATOM 1161 C ALA C 29 2.856 6.442 8.845 1.00 0.00 C ATOM 1162 O ALA C 29 3.345 5.313 8.804 1.00 0.00 O ATOM 1163 CB ALA C 29 2.297 7.450 11.059 1.00 0.00 C ATOM 0 H ALA C 29 2.784 9.478 9.749 1.00 0.00 H new ATOM 0 HA ALA C 29 4.282 7.161 10.274 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.234 6.450 11.488 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.627 8.153 11.824 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.316 7.749 10.691 1.00 0.00 H new ATOM 1169 N ALA C 30 1.934 6.862 7.986 1.00 0.00 N ATOM 1170 CA ALA C 30 1.441 5.992 6.928 1.00 0.00 C ATOM 1171 C ALA C 30 2.569 5.645 5.961 1.00 0.00 C ATOM 1172 O ALA C 30 2.634 4.540 5.437 1.00 0.00 O ATOM 1173 CB ALA C 30 0.296 6.674 6.179 1.00 0.00 C ATOM 0 H ALA C 30 1.516 7.792 8.002 1.00 0.00 H new ATOM 0 HA ALA C 30 1.070 5.070 7.376 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -0.066 6.015 5.390 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -0.516 6.888 6.873 1.00 0.00 H new ATOM 0 HB3 ALA C 30 0.653 7.605 5.739 1.00 0.00 H new ATOM 1179 N ASN C 31 3.460 6.592 5.723 1.00 0.00 N ATOM 1180 CA ASN C 31 4.574 6.340 4.823 1.00 0.00 C ATOM 1181 C ASN C 31 5.502 5.281 5.415 1.00 0.00 C ATOM 1182 O ASN C 31 5.986 4.398 4.708 1.00 0.00 O ATOM 1183 CB ASN C 31 5.360 7.627 4.581 1.00 0.00 C ATOM 1184 CG ASN C 31 6.571 7.335 3.703 1.00 0.00 C ATOM 1185 OD1 ASN C 31 6.573 6.358 2.953 1.00 0.00 O ATOM 1186 ND2 ASN C 31 7.606 8.126 3.752 1.00 0.00 N ATOM 0 H ASN C 31 3.437 7.526 6.131 1.00 0.00 H new ATOM 0 HA ASN C 31 4.176 5.979 3.875 1.00 0.00 H new ATOM 0 HB2 ASN C 31 4.722 8.369 4.101 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.683 8.051 5.532 1.00 0.00 H new ATOM 0 HD21 ASN C 31 8.421 7.937 3.168 1.00 0.00 H new ATOM 0 HD22 ASN C 31 7.601 8.934 4.374 1.00 0.00 H new ATOM 1193 N ILE C 32 5.754 5.389 6.715 1.00 0.00 N ATOM 1194 CA ILE C 32 6.634 4.449 7.402 1.00 0.00 C ATOM 1195 C ILE C 32 6.044 3.040 7.419 1.00 0.00 C ATOM 1196 O ILE C 32 6.757 2.061 7.199 1.00 0.00 O ATOM 1197 CB ILE C 32 6.872 4.918 8.842 1.00 0.00 C ATOM 1198 CG1 ILE C 32 7.676 6.218 8.825 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.660 3.852 9.615 1.00 0.00 C ATOM 1200 CD1 ILE C 32 7.674 6.841 10.221 1.00 0.00 C ATOM 0 H ILE C 32 5.363 6.116 7.314 1.00 0.00 H new ATOM 0 HA ILE C 32 7.578 4.418 6.859 1.00 0.00 H new ATOM 0 HB ILE C 32 5.910 5.081 9.328 1.00 0.00 H new ATOM 0 HG12 ILE C 32 8.699 6.020 8.506 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.246 6.914 8.105 1.00 0.00 H new ATOM 0 HG21 ILE C 32 7.826 4.192 10.637 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.094 2.920 9.629 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.621 3.685 9.128 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.248 7.768 10.207 1.00 0.00 H new ATOM 0 HD12 ILE C 32 6.649 7.054 10.523 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.124 6.146 10.930 1.00 0.00 H new ATOM 1212 N ILE C 33 4.749 2.937 7.709 1.00 0.00 N ATOM 1213 CA ILE C 33 4.101 1.631 7.779 1.00 0.00 C ATOM 1214 C ILE C 33 4.093 0.964 6.402 1.00 0.00 C ATOM 1215 O ILE C 33 4.276 -0.248 6.290 1.00 0.00 O ATOM 1216 CB ILE C 33 2.662 1.783 8.349 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.279 0.537 9.180 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.636 1.965 7.221 1.00 0.00 C ATOM 1219 CD1 ILE C 33 2.770 0.706 10.621 1.00 0.00 C ATOM 0 H ILE C 33 4.136 3.730 7.897 1.00 0.00 H new ATOM 0 HA ILE C 33 4.665 0.986 8.453 1.00 0.00 H new ATOM 0 HB ILE C 33 2.651 2.669 8.984 1.00 0.00 H new ATOM 0 HG12 ILE C 33 1.198 0.398 9.168 1.00 0.00 H new ATOM 0 HG13 ILE C 33 2.720 -0.356 8.738 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.639 2.069 7.649 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.880 2.860 6.648 1.00 0.00 H new ATOM 0 HG23 ILE C 33 1.660 1.096 6.564 1.00 0.00 H new ATOM 0 HD11 ILE C 33 2.498 -0.174 11.204 1.00 0.00 H new ATOM 0 HD12 ILE C 33 3.854 0.823 10.625 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.308 1.590 11.062 1.00 0.00 H new ATOM 1231 N GLY C 34 3.879 1.764 5.360 1.00 0.00 N ATOM 1232 CA GLY C 34 3.847 1.240 3.998 1.00 0.00 C ATOM 1233 C GLY C 34 5.208 0.690 3.575 1.00 0.00 C ATOM 1234 O GLY C 34 5.297 -0.387 2.987 1.00 0.00 O ATOM 0 H GLY C 34 3.726 2.770 5.432 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.098 0.451 3.928 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.543 2.030 3.311 1.00 0.00 H new ATOM 1238 N ILE C 35 6.267 1.435 3.876 1.00 0.00 N ATOM 1239 CA ILE C 35 7.617 1.009 3.518 1.00 0.00 C ATOM 1240 C ILE C 35 7.985 -0.274 4.265 1.00 0.00 C ATOM 1241 O ILE C 35 8.548 -1.207 3.684 1.00 0.00 O ATOM 1242 CB ILE C 35 8.616 2.121 3.847 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.362 3.307 2.912 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.045 1.609 3.639 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.105 4.541 3.427 1.00 0.00 C ATOM 0 H ILE C 35 6.219 2.330 4.363 1.00 0.00 H new ATOM 0 HA ILE C 35 7.652 0.806 2.448 1.00 0.00 H new ATOM 0 HB ILE C 35 8.493 2.430 4.885 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.696 3.065 1.903 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.293 3.513 2.853 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.754 2.403 3.874 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.225 0.756 4.294 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.174 1.303 2.601 1.00 0.00 H new ATOM 0 HD11 ILE C 35 8.921 5.382 2.758 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.750 4.788 4.427 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.174 4.333 3.463 1.00 0.00 H new ATOM 1257 N LEU C 36 7.651 -0.320 5.552 1.00 0.00 N ATOM 1258 CA LEU C 36 7.941 -1.494 6.365 1.00 0.00 C ATOM 1259 C LEU C 36 7.213 -2.706 5.800 1.00 0.00 C ATOM 1260 O LEU C 36 7.752 -3.812 5.766 1.00 0.00 O ATOM 1261 CB LEU C 36 7.507 -1.244 7.815 1.00 0.00 C ATOM 1262 CG LEU C 36 7.743 -2.495 8.678 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.220 -2.921 8.605 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.375 -2.172 10.130 1.00 0.00 C ATOM 0 H LEU C 36 7.183 0.437 6.050 1.00 0.00 H new ATOM 0 HA LEU C 36 9.014 -1.687 6.347 1.00 0.00 H new ATOM 0 HB2 LEU C 36 8.064 -0.402 8.226 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.452 -0.972 7.842 1.00 0.00 H new ATOM 0 HG LEU C 36 7.124 -3.312 8.307 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.374 -3.808 9.220 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.483 -3.146 7.571 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.851 -2.111 8.972 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.539 -3.053 10.751 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.998 -1.353 10.490 1.00 0.00 H new ATOM 0 HD23 LEU C 36 6.326 -1.880 10.183 1.00 0.00 H new ATOM 1276 N HIS C 37 5.986 -2.484 5.344 1.00 0.00 N ATOM 1277 CA HIS C 37 5.193 -3.559 4.766 1.00 0.00 C ATOM 1278 C HIS C 37 5.914 -4.171 3.577 1.00 0.00 C ATOM 1279 O HIS C 37 5.904 -5.388 3.393 1.00 0.00 O ATOM 1280 CB HIS C 37 3.841 -3.022 4.296 1.00 0.00 C ATOM 1281 CG HIS C 37 3.049 -4.149 3.700 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.860 -4.595 4.251 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.271 -4.940 2.601 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.420 -5.611 3.486 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.242 -5.861 2.469 1.00 0.00 N ATOM 0 H HIS C 37 5.522 -1.576 5.363 1.00 0.00 H new ATOM 0 HA HIS C 37 5.044 -4.319 5.533 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.299 -2.582 5.133 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.985 -2.232 3.559 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.120 -4.858 1.938 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.508 -6.159 3.675 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.138 -6.575 1.748 1.00 0.00 H new ATOM 1293 N LEU C 38 6.520 -3.325 2.760 1.00 0.00 N ATOM 1294 CA LEU C 38 7.220 -3.799 1.578 1.00 0.00 C ATOM 1295 C LEU C 38 8.356 -4.736 1.976 1.00 0.00 C ATOM 1296 O LEU C 38 8.604 -5.732 1.305 1.00 0.00 O ATOM 1297 CB LEU C 38 7.756 -2.597 0.767 1.00 0.00 C ATOM 1298 CG LEU C 38 6.910 -2.378 -0.502 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.172 -0.977 -1.046 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.280 -3.417 -1.574 1.00 0.00 C ATOM 0 H LEU C 38 6.542 -2.314 2.892 1.00 0.00 H new ATOM 0 HA LEU C 38 6.525 -4.357 0.951 1.00 0.00 H new ATOM 0 HB2 LEU C 38 7.736 -1.698 1.383 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.796 -2.772 0.491 1.00 0.00 H new ATOM 0 HG LEU C 38 5.855 -2.488 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.575 -0.818 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU C 38 6.899 -0.237 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.229 -0.873 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.675 -3.251 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.335 -3.318 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU C 38 7.092 -4.419 -1.189 1.00 0.00 H new ATOM 1312 N ILE C 39 9.044 -4.418 3.059 1.00 0.00 N ATOM 1313 CA ILE C 39 10.143 -5.265 3.490 1.00 0.00 C ATOM 1314 C ILE C 39 9.625 -6.668 3.815 1.00 0.00 C ATOM 1315 O ILE C 39 10.229 -7.667 3.420 1.00 0.00 O ATOM 1316 CB ILE C 39 10.813 -4.661 4.728 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.509 -3.351 4.342 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.854 -5.641 5.281 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.965 -2.610 5.603 1.00 0.00 C ATOM 0 H ILE C 39 8.868 -3.601 3.643 1.00 0.00 H new ATOM 0 HA ILE C 39 10.874 -5.332 2.685 1.00 0.00 H new ATOM 0 HB ILE C 39 10.057 -4.466 5.488 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.367 -3.560 3.702 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.828 -2.723 3.767 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.329 -5.209 6.162 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.364 -6.576 5.555 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.610 -5.837 4.520 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.459 -1.680 5.320 1.00 0.00 H new ATOM 0 HD12 ILE C 39 11.099 -2.386 6.227 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.662 -3.236 6.161 1.00 0.00 H new ATOM 1331 N LEU C 40 8.505 -6.739 4.528 1.00 0.00 N ATOM 1332 CA LEU C 40 7.924 -8.032 4.889 1.00 0.00 C ATOM 1333 C LEU C 40 7.387 -8.771 3.661 1.00 0.00 C ATOM 1334 O LEU C 40 7.592 -9.975 3.517 1.00 0.00 O ATOM 1335 CB LEU C 40 6.796 -7.830 5.906 1.00 0.00 C ATOM 1336 CG LEU C 40 7.306 -7.002 7.092 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.160 -6.788 8.085 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.464 -7.737 7.787 1.00 0.00 C ATOM 0 H LEU C 40 7.985 -5.928 4.865 1.00 0.00 H new ATOM 0 HA LEU C 40 8.713 -8.641 5.330 1.00 0.00 H new ATOM 0 HB2 LEU C 40 5.954 -7.324 5.433 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.432 -8.796 6.255 1.00 0.00 H new ATOM 0 HG LEU C 40 7.666 -6.038 6.733 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.516 -6.200 8.931 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.345 -6.258 7.592 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.801 -7.754 8.440 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.820 -7.142 8.628 1.00 0.00 H new ATOM 0 HD22 LEU C 40 8.116 -8.705 8.149 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.278 -7.886 7.078 1.00 0.00 H new ATOM 1350 N TRP C 41 6.698 -8.043 2.784 1.00 0.00 N ATOM 1351 CA TRP C 41 6.131 -8.644 1.574 1.00 0.00 C ATOM 1352 C TRP C 41 7.239 -9.064 0.607 1.00 0.00 C ATOM 1353 O TRP C 41 7.169 -10.134 0.001 1.00 0.00 O ATOM 1354 CB TRP C 41 5.159 -7.655 0.917 1.00 0.00 C ATOM 1355 CG TRP C 41 4.544 -8.240 -0.321 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.460 -9.054 -0.354 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.916 -8.007 -1.707 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.175 -9.361 -1.673 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.041 -8.734 -2.540 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.928 -7.245 -2.311 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.166 -8.702 -3.924 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.052 -7.208 -3.706 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.172 -7.937 -4.509 1.00 0.00 C ATOM 0 H TRP C 41 6.519 -7.044 2.885 1.00 0.00 H new ATOM 0 HA TRP C 41 5.579 -9.544 1.845 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.374 -7.388 1.625 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.687 -6.736 0.664 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.910 -9.405 0.507 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.416 -9.976 -1.967 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.616 -6.683 -1.696 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.486 -9.268 -4.543 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 6.830 -6.614 -4.162 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.272 -7.907 -5.584 1.00 0.00 H new ATOM 1374 N ILE C 42 8.273 -8.231 0.483 1.00 0.00 N ATOM 1375 CA ILE C 42 9.395 -8.553 -0.398 1.00 0.00 C ATOM 1376 C ILE C 42 10.115 -9.799 0.121 1.00 0.00 C ATOM 1377 O ILE C 42 10.479 -10.684 -0.653 1.00 0.00 O ATOM 1378 CB ILE C 42 10.386 -7.372 -0.463 1.00 0.00 C ATOM 1379 CG1 ILE C 42 9.760 -6.183 -1.226 1.00 0.00 C ATOM 1380 CG2 ILE C 42 11.688 -7.813 -1.149 1.00 0.00 C ATOM 1381 CD1 ILE C 42 9.914 -6.346 -2.749 1.00 0.00 C ATOM 0 H ILE C 42 8.357 -7.341 0.974 1.00 0.00 H new ATOM 0 HA ILE C 42 9.010 -8.743 -1.400 1.00 0.00 H new ATOM 0 HB ILE C 42 10.612 -7.052 0.554 1.00 0.00 H new ATOM 0 HG12 ILE C 42 8.703 -6.103 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE C 42 10.235 -5.255 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE C 42 12.381 -6.972 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE C 42 12.139 -8.628 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.469 -8.152 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE C 42 9.463 -5.492 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.972 -6.400 -3.004 1.00 0.00 H new ATOM 0 HD13 ILE C 42 9.416 -7.261 -3.069 1.00 0.00 H new ATOM 1393 N LEU C 43 10.320 -9.850 1.432 1.00 0.00 N ATOM 1394 CA LEU C 43 11.004 -10.981 2.051 1.00 0.00 C ATOM 1395 C LEU C 43 10.215 -12.270 1.838 1.00 0.00 C ATOM 1396 O LEU C 43 10.792 -13.328 1.590 1.00 0.00 O ATOM 1397 CB LEU C 43 11.186 -10.722 3.551 1.00 0.00 C ATOM 1398 CG LEU C 43 11.904 -11.903 4.224 1.00 0.00 C ATOM 1399 CD1 LEU C 43 13.280 -12.134 3.574 1.00 0.00 C ATOM 1400 CD2 LEU C 43 12.086 -11.588 5.712 1.00 0.00 C ATOM 0 H LEU C 43 10.024 -9.125 2.085 1.00 0.00 H new ATOM 0 HA LEU C 43 11.982 -11.093 1.583 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.761 -9.808 3.700 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.214 -10.567 4.019 1.00 0.00 H new ATOM 0 HG LEU C 43 11.306 -12.806 4.102 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.776 -12.973 4.061 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.149 -12.355 2.515 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.890 -11.238 3.685 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.595 -12.419 6.200 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.683 -10.682 5.822 1.00 0.00 H new ATOM 0 HD23 LEU C 43 11.110 -11.438 6.174 1.00 0.00 H new ATOM 1412 N ASP C 44 8.894 -12.179 1.950 1.00 0.00 N ATOM 1413 CA ASP C 44 8.045 -13.353 1.776 1.00 0.00 C ATOM 1414 C ASP C 44 8.232 -13.942 0.383 1.00 0.00 C ATOM 1415 O ASP C 44 8.335 -15.159 0.221 1.00 0.00 O ATOM 1416 CB ASP C 44 6.577 -12.967 1.975 1.00 0.00 C ATOM 1417 CG ASP C 44 6.305 -12.685 3.449 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.129 -13.063 4.265 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.277 -12.096 3.740 1.00 0.00 O ATOM 0 H ASP C 44 8.392 -11.316 2.158 1.00 0.00 H new ATOM 0 HA ASP C 44 8.329 -14.100 2.517 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.340 -12.086 1.378 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.931 -13.772 1.625 1.00 0.00 H new ATOM 1424 N ARG C 45 8.272 -13.073 -0.620 1.00 0.00 N ATOM 1425 CA ARG C 45 8.446 -13.517 -2.001 1.00 0.00 C ATOM 1426 C ARG C 45 9.923 -13.708 -2.330 1.00 0.00 C ATOM 1427 O ARG C 45 10.266 -14.307 -3.347 1.00 0.00 O ATOM 1428 CB ARG C 45 7.836 -12.490 -2.957 1.00 0.00 C ATOM 1429 CG ARG C 45 6.312 -12.516 -2.831 1.00 0.00 C ATOM 1430 CD ARG C 45 5.706 -11.470 -3.769 1.00 0.00 C ATOM 1431 NE ARG C 45 4.251 -11.473 -3.656 1.00 0.00 N ATOM 1432 CZ ARG C 45 3.503 -12.302 -4.380 1.00 0.00 C ATOM 1433 NH1 ARG C 45 4.068 -13.136 -5.211 1.00 0.00 N ATOM 1434 NH2 ARG C 45 2.205 -12.283 -4.258 1.00 0.00 N ATOM 0 H ARG C 45 8.187 -12.063 -0.506 1.00 0.00 H new ATOM 0 HA ARG C 45 7.938 -14.474 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG C 45 8.213 -11.494 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG C 45 8.130 -12.713 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG C 45 5.932 -13.507 -3.080 1.00 0.00 H new ATOM 0 HG3 ARG C 45 6.018 -12.311 -1.802 1.00 0.00 H new ATOM 0 HD2 ARG C 45 6.095 -10.482 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG C 45 5.998 -11.681 -4.798 1.00 0.00 H new ATOM 0 HE ARG C 45 3.798 -10.827 -3.009 1.00 0.00 H new ATOM 0 HH11 ARG C 45 5.083 -13.152 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG C 45 3.494 -13.771 -5.765 1.00 0.00 H new ATOM 0 HH21 ARG C 45 1.763 -11.633 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG C 45 1.631 -12.918 -4.813 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.688 12.307 1.419 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.425 11.665 1.766 1.00 0.00 C ATOM 1639 C VAL D 27 -5.560 10.911 3.087 1.00 0.00 C ATOM 1640 O VAL D 27 -4.982 9.839 3.267 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.307 12.710 1.859 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -4.400 13.660 0.661 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.434 13.513 3.162 1.00 0.00 C ATOM 0 HA VAL D 27 -5.169 10.951 0.984 1.00 0.00 H new ATOM 0 HB VAL D 27 -3.343 12.200 1.853 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -3.606 14.404 0.724 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -4.292 13.092 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -5.368 14.161 0.668 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.634 14.251 3.214 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -5.398 14.021 3.184 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -4.361 12.837 4.014 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.328 11.486 4.007 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.537 10.870 5.314 1.00 0.00 C ATOM 1655 C VAL D 28 -7.229 9.519 5.164 1.00 0.00 C ATOM 1656 O VAL D 28 -6.841 8.538 5.801 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.392 11.789 6.191 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -7.694 11.093 7.521 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -6.635 13.091 6.459 1.00 0.00 C ATOM 0 H VAL D 28 -6.814 12.373 3.874 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.566 10.718 5.784 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.327 12.011 5.677 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.303 11.748 8.144 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.235 10.166 7.332 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -6.759 10.869 8.035 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -7.245 13.744 7.083 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -5.699 12.869 6.972 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.421 13.589 5.513 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.255 9.473 4.321 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.991 8.234 4.101 1.00 0.00 C ATOM 1671 C ALA D 29 -8.060 7.156 3.563 1.00 0.00 C ATOM 1672 O ALA D 29 -8.158 5.989 3.942 1.00 0.00 O ATOM 1673 CB ALA D 29 -10.131 8.470 3.107 1.00 0.00 C ATOM 0 H ALA D 29 -8.593 10.271 3.784 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.406 7.903 5.053 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.675 7.539 2.949 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.810 9.224 3.505 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.721 8.816 2.158 1.00 0.00 H new ATOM 1679 N ALA D 30 -7.148 7.556 2.683 1.00 0.00 N ATOM 1680 CA ALA D 30 -6.197 6.615 2.106 1.00 0.00 C ATOM 1681 C ALA D 30 -5.289 6.049 3.195 1.00 0.00 C ATOM 1682 O ALA D 30 -4.901 4.887 3.152 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.360 7.306 1.031 1.00 0.00 C ATOM 0 H ALA D 30 -7.048 8.517 2.356 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.750 5.794 1.648 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.653 6.593 0.607 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -6.015 7.680 0.244 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.814 8.139 1.474 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.949 6.872 4.175 1.00 0.00 N ATOM 1690 CA ASN D 31 -4.098 6.405 5.258 1.00 0.00 C ATOM 1691 C ASN D 31 -4.821 5.342 6.083 1.00 0.00 C ATOM 1692 O ASN D 31 -4.230 4.337 6.477 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.712 7.574 6.165 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.899 7.057 7.347 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -2.286 5.993 7.262 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.864 7.746 8.453 1.00 0.00 N ATOM 0 H ASN D 31 -5.242 7.847 4.243 1.00 0.00 H new ATOM 0 HA ASN D 31 -3.198 5.970 4.824 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -3.132 8.307 5.604 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -4.608 8.082 6.521 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -2.328 7.404 9.250 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -3.373 8.627 8.521 1.00 0.00 H new ATOM 1703 N ILE D 32 -6.103 5.582 6.345 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.905 4.652 7.133 1.00 0.00 C ATOM 1705 C ILE D 32 -7.083 3.318 6.411 1.00 0.00 C ATOM 1706 O ILE D 32 -6.987 2.257 7.027 1.00 0.00 O ATOM 1707 CB ILE D 32 -8.281 5.266 7.416 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -8.115 6.475 8.341 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -9.183 4.232 8.100 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.428 7.257 8.400 1.00 0.00 C ATOM 0 H ILE D 32 -6.607 6.409 6.025 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.380 4.466 8.070 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.735 5.576 6.475 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.831 6.145 9.340 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -7.313 7.117 7.977 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -10.159 4.675 8.298 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -9.303 3.366 7.449 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.729 3.919 9.040 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -9.310 8.118 9.058 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.693 7.599 7.400 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.219 6.612 8.784 1.00 0.00 H new ATOM 1722 N ILE D 33 -7.370 3.376 5.113 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.588 2.156 4.343 1.00 0.00 C ATOM 1724 C ILE D 33 -6.299 1.333 4.270 1.00 0.00 C ATOM 1725 O ILE D 33 -6.334 0.104 4.334 1.00 0.00 O ATOM 1726 CB ILE D 33 -8.121 2.513 2.925 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -9.092 1.417 2.429 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -6.970 2.653 1.920 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -10.507 1.713 2.934 1.00 0.00 C ATOM 0 H ILE D 33 -7.456 4.241 4.579 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.340 1.544 4.842 1.00 0.00 H new ATOM 0 HB ILE D 33 -8.644 3.467 2.998 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.085 1.378 1.340 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -8.765 0.440 2.785 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.373 2.903 0.938 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.295 3.444 2.247 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -6.423 1.712 1.859 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -11.188 0.938 2.582 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -10.508 1.730 4.024 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -10.833 2.682 2.556 1.00 0.00 H new ATOM 1741 N GLY D 34 -5.168 2.018 4.130 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.877 1.341 4.048 1.00 0.00 C ATOM 1743 C GLY D 34 -3.537 0.617 5.350 1.00 0.00 C ATOM 1744 O GLY D 34 -3.082 -0.527 5.333 1.00 0.00 O ATOM 0 H GLY D 34 -5.118 3.035 4.071 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.893 0.625 3.226 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -3.098 2.069 3.822 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.756 1.289 6.475 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.468 0.695 7.777 1.00 0.00 C ATOM 1750 C ILE D 35 -4.367 -0.517 8.021 1.00 0.00 C ATOM 1751 O ILE D 35 -3.907 -1.562 8.492 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.672 1.739 8.877 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.600 2.825 8.738 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.541 1.074 10.251 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.975 4.035 9.592 1.00 0.00 C ATOM 0 H ILE D 35 -4.129 2.238 6.513 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.431 0.360 7.792 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.665 2.179 8.783 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.631 2.435 9.050 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.503 3.122 7.694 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.687 1.820 11.032 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.295 0.293 10.350 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.548 0.635 10.350 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -2.209 4.804 9.489 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.934 4.432 9.260 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -3.049 3.734 10.637 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.645 -0.376 7.686 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.597 -1.466 7.864 1.00 0.00 C ATOM 1769 C LEU D 36 -6.172 -2.664 7.022 1.00 0.00 C ATOM 1770 O LEU D 36 -6.275 -3.813 7.454 1.00 0.00 O ATOM 1771 CB LEU D 36 -8.003 -1.006 7.456 1.00 0.00 C ATOM 1772 CG LEU D 36 -9.010 -2.160 7.576 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.005 -2.730 9.004 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.408 -1.633 7.241 1.00 0.00 C ATOM 0 H LEU D 36 -6.044 0.476 7.292 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.614 -1.758 8.914 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.317 -0.176 8.089 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.987 -0.637 6.431 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.731 -2.954 6.883 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.724 -3.547 9.072 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.009 -3.102 9.244 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.279 -1.946 9.710 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -11.132 -2.444 7.323 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.674 -0.838 7.938 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.415 -1.242 6.224 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.680 -2.383 5.822 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.227 -3.438 4.930 1.00 0.00 C ATOM 1788 C HIS D 37 -4.126 -4.253 5.587 1.00 0.00 C ATOM 1789 O HIS D 37 -4.086 -5.476 5.460 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.681 -2.834 3.635 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.217 -3.946 2.738 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.809 -4.212 1.515 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.220 -4.878 2.882 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.166 -5.264 0.982 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.190 -5.707 1.772 1.00 0.00 N ATOM 0 H HIS D 37 -5.586 -1.439 5.447 1.00 0.00 H new ATOM 0 HA HIS D 37 -6.078 -4.083 4.710 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.453 -2.246 3.138 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.856 -2.157 3.854 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.558 -4.954 3.732 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.412 -5.700 0.025 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.557 -6.488 1.598 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.221 -3.571 6.272 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.111 -4.248 6.921 1.00 0.00 C ATOM 1805 C LEU D 38 -2.628 -5.234 7.963 1.00 0.00 C ATOM 1806 O LEU D 38 -2.084 -6.322 8.114 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.167 -3.207 7.567 1.00 0.00 C ATOM 1808 CG LEU D 38 0.130 -3.065 6.747 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.836 -1.772 7.140 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.062 -4.257 7.017 1.00 0.00 C ATOM 0 H LEU D 38 -3.233 -2.558 6.392 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.549 -4.810 6.175 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.670 -2.242 7.631 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.927 -3.509 8.586 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.120 -3.043 5.686 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.754 -1.668 6.562 1.00 0.00 H new ATOM 0 HD12 LEU D 38 0.182 -0.924 6.937 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.078 -1.798 8.203 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.975 -4.145 6.432 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.312 -4.290 8.077 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.561 -5.182 6.734 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.674 -4.857 8.680 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.213 -5.748 9.694 1.00 0.00 C ATOM 1824 C ILE D 39 -4.695 -7.047 9.045 1.00 0.00 C ATOM 1825 O ILE D 39 -4.432 -8.137 9.549 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.378 -5.066 10.420 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.845 -3.884 11.236 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.053 -6.067 11.361 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -6.014 -3.043 11.764 1.00 0.00 C ATOM 0 H ILE D 39 -4.157 -3.964 8.584 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.429 -5.980 10.415 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.103 -4.710 9.688 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.243 -4.248 12.068 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.193 -3.268 10.616 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -6.881 -5.580 11.876 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.430 -6.911 10.784 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.329 -6.423 12.094 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.627 -2.205 12.343 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.599 -2.665 10.925 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.649 -3.661 12.400 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.404 -6.924 7.924 1.00 0.00 N ATOM 1842 CA LEU D 40 -5.911 -8.100 7.222 1.00 0.00 C ATOM 1843 C LEU D 40 -4.773 -8.928 6.614 1.00 0.00 C ATOM 1844 O LEU D 40 -4.777 -10.156 6.703 1.00 0.00 O ATOM 1845 CB LEU D 40 -6.884 -7.669 6.120 1.00 0.00 C ATOM 1846 CG LEU D 40 -7.968 -6.762 6.709 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -8.917 -6.322 5.590 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -8.758 -7.518 7.790 1.00 0.00 C ATOM 0 H LEU D 40 -5.638 -6.033 7.487 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.431 -8.725 7.948 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.345 -7.142 5.332 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.341 -8.546 5.662 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.501 -5.887 7.161 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.692 -5.676 6.003 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.356 -5.777 4.831 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.379 -7.200 5.139 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.527 -6.865 8.203 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.228 -8.397 7.349 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.080 -7.829 8.585 1.00 0.00 H new ATOM 1860 N TRP D 41 -3.808 -8.250 5.997 1.00 0.00 N ATOM 1861 CA TRP D 41 -2.673 -8.934 5.375 1.00 0.00 C ATOM 1862 C TRP D 41 -1.775 -9.572 6.437 1.00 0.00 C ATOM 1863 O TRP D 41 -1.299 -10.693 6.263 1.00 0.00 O ATOM 1864 CB TRP D 41 -1.893 -7.945 4.501 1.00 0.00 C ATOM 1865 CG TRP D 41 -0.728 -8.613 3.832 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -0.780 -9.321 2.676 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.673 -8.579 4.218 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.495 -9.754 2.360 1.00 0.00 N ATOM 1869 CE2 TRP D 41 1.425 -9.314 3.277 1.00 0.00 C ATOM 1870 CE3 TRP D 41 1.356 -7.990 5.296 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.802 -9.457 3.402 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.743 -8.127 5.418 1.00 0.00 C ATOM 1873 CH2 TRP D 41 3.465 -8.860 4.472 1.00 0.00 C ATOM 0 H TRP D 41 -3.787 -7.234 5.914 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.044 -9.739 4.740 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -2.556 -7.522 3.746 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -1.538 -7.116 5.113 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -1.671 -9.515 2.097 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.719 -10.329 1.548 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.806 -7.427 6.036 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.356 -10.029 2.672 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 3.258 -7.664 6.247 1.00 0.00 H new ATOM 0 HH2 TRP D 41 4.536 -8.963 4.570 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.562 -8.862 7.544 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.739 -9.392 8.630 1.00 0.00 C ATOM 1886 C ILE D 42 -1.407 -10.628 9.227 1.00 0.00 C ATOM 1887 O ILE D 42 -0.750 -11.630 9.504 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.543 -8.326 9.727 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.363 -7.182 9.217 1.00 0.00 C ATOM 1890 CG2 ILE D 42 0.073 -8.965 10.981 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.854 -7.541 9.354 1.00 0.00 C ATOM 0 H ILE D 42 -1.942 -7.930 7.712 1.00 0.00 H new ATOM 0 HA ILE D 42 0.237 -9.665 8.228 1.00 0.00 H new ATOM 0 HB ILE D 42 -1.518 -7.910 9.982 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.133 -6.972 8.173 1.00 0.00 H new ATOM 0 HG13 ILE D 42 0.153 -6.272 9.779 1.00 0.00 H new ATOM 0 HG21 ILE D 42 0.207 -8.203 11.749 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -0.590 -9.745 11.355 1.00 0.00 H new ATOM 0 HG23 ILE D 42 1.040 -9.401 10.730 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.462 -6.715 8.986 1.00 0.00 H new ATOM 0 HD12 ILE D 42 2.089 -7.726 10.402 1.00 0.00 H new ATOM 0 HD13 ILE D 42 2.068 -8.437 8.771 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.718 -10.542 9.430 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.473 -11.651 10.004 1.00 0.00 C ATOM 1905 C LEU D 43 -3.407 -12.876 9.094 1.00 0.00 C ATOM 1906 O LEU D 43 -3.295 -14.006 9.569 1.00 0.00 O ATOM 1907 CB LEU D 43 -4.935 -11.234 10.209 1.00 0.00 C ATOM 1908 CG LEU D 43 -5.751 -12.389 10.813 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.148 -12.823 12.159 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -7.193 -11.916 11.024 1.00 0.00 C ATOM 0 H LEU D 43 -3.278 -9.719 9.207 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.032 -11.910 10.966 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -4.982 -10.366 10.867 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.370 -10.935 9.255 1.00 0.00 H new ATOM 0 HG LEU D 43 -5.731 -13.241 10.133 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -5.736 -13.641 12.574 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -4.121 -13.155 12.007 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -5.159 -11.981 12.851 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -7.783 -12.726 11.452 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -7.201 -11.064 11.703 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -7.623 -11.621 10.067 1.00 0.00 H new ATOM 1922 N ASP D 44 -3.492 -12.648 7.790 1.00 0.00 N ATOM 1923 CA ASP D 44 -3.452 -13.746 6.831 1.00 0.00 C ATOM 1924 C ASP D 44 -2.140 -14.512 6.958 1.00 0.00 C ATOM 1925 O ASP D 44 -2.126 -15.744 6.946 1.00 0.00 O ATOM 1926 CB ASP D 44 -3.588 -13.200 5.407 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.014 -12.715 5.169 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -5.881 -13.079 5.945 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -5.217 -11.982 4.215 1.00 0.00 O ATOM 0 H ASP D 44 -3.588 -11.722 7.374 1.00 0.00 H new ATOM 0 HA ASP D 44 -4.281 -14.422 7.042 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -2.886 -12.380 5.254 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.334 -13.976 4.685 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.041 -13.776 7.079 1.00 0.00 N ATOM 1935 CA ARG D 45 0.273 -14.397 7.209 1.00 0.00 C ATOM 1936 C ARG D 45 0.562 -14.766 8.661 1.00 0.00 C ATOM 1937 O ARG D 45 1.498 -15.511 8.944 1.00 0.00 O ATOM 1938 CB ARG D 45 1.354 -13.439 6.699 1.00 0.00 C ATOM 1939 CG ARG D 45 1.242 -13.304 5.179 1.00 0.00 C ATOM 1940 CD ARG D 45 2.303 -12.323 4.674 1.00 0.00 C ATOM 1941 NE ARG D 45 2.205 -12.176 3.225 1.00 0.00 N ATOM 1942 CZ ARG D 45 2.833 -13.012 2.401 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.552 -13.989 2.884 1.00 0.00 N ATOM 1944 NH2 ARG D 45 2.729 -12.853 1.109 1.00 0.00 N ATOM 0 H ARG D 45 -1.032 -12.756 7.090 1.00 0.00 H new ATOM 0 HA ARG D 45 0.279 -15.309 6.612 1.00 0.00 H new ATOM 0 HB2 ARG D 45 1.241 -12.463 7.171 1.00 0.00 H new ATOM 0 HB3 ARG D 45 2.342 -13.812 6.970 1.00 0.00 H new ATOM 0 HG2 ARG D 45 1.376 -14.277 4.706 1.00 0.00 H new ATOM 0 HG3 ARG D 45 0.247 -12.952 4.907 1.00 0.00 H new ATOM 0 HD2 ARG D 45 2.171 -11.354 5.155 1.00 0.00 H new ATOM 0 HD3 ARG D 45 3.297 -12.680 4.944 1.00 0.00 H new ATOM 0 HE ARG D 45 1.644 -11.418 2.836 1.00 0.00 H new ATOM 0 HH11 ARG D 45 3.633 -14.112 3.893 1.00 0.00 H new ATOM 0 HH12 ARG D 45 4.033 -14.629 2.252 1.00 0.00 H new ATOM 0 HH21 ARG D 45 2.167 -12.089 0.733 1.00 0.00 H new ATOM 0 HH22 ARG D 45 3.209 -13.493 0.476 1.00 0.00 H new