USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 594 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.298 (180deg=-0.948) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -152:sc= -3.33 (180deg=-6.76!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.0872 F(o=-0.64,f=-0.087) USER MOD Single : B 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 111 MET CE :methyl -153:sc= -3.58! (180deg=-6.88!) USER MOD Single : B 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 128 HIS :FLIP no HD1:sc= -0.111 F(o=-0.73,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.479 -1.196 2.721 1.00 0.00 N ATOM 2 CA MET A 1 5.629 -0.307 2.837 1.00 0.00 C ATOM 3 C MET A 1 6.934 -1.097 2.804 1.00 0.00 C ATOM 4 O MET A 1 7.951 -0.657 3.338 1.00 0.00 O ATOM 5 CB MET A 1 5.545 0.506 4.130 1.00 0.00 C ATOM 6 CG MET A 1 5.440 -0.352 5.381 1.00 0.00 C ATOM 7 SD MET A 1 4.962 0.599 6.837 1.00 0.00 S ATOM 8 CE MET A 1 4.501 -0.715 7.963 1.00 0.00 C ATOM 0 H1 MET A 1 3.629 -0.713 3.076 1.00 0.00 H new ATOM 0 H2 MET A 1 4.339 -1.454 1.723 1.00 0.00 H new ATOM 0 H3 MET A 1 4.647 -2.056 3.280 1.00 0.00 H new ATOM 0 HA MET A 1 5.616 0.374 1.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.427 1.142 4.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.680 1.167 4.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.710 -1.144 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.399 -0.836 5.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.181 -0.285 8.912 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.683 -1.293 7.532 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.358 -1.368 8.131 1.00 0.00 H new ATOM 18 N ASP A 2 6.896 -2.266 2.173 1.00 0.00 N ATOM 19 CA ASP A 2 8.075 -3.118 2.070 1.00 0.00 C ATOM 20 C ASP A 2 7.983 -4.027 0.849 1.00 0.00 C ATOM 21 O ASP A 2 7.093 -4.872 0.756 1.00 0.00 O ATOM 22 CB ASP A 2 8.235 -3.960 3.337 1.00 0.00 C ATOM 23 CG ASP A 2 8.697 -3.138 4.524 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.837 -2.629 4.486 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.918 -3.002 5.491 1.00 0.00 O ATOM 0 H ASP A 2 6.062 -2.645 1.725 1.00 0.00 H new ATOM 0 HA ASP A 2 8.948 -2.475 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.284 -4.435 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.953 -4.759 3.151 1.00 0.00 H new ATOM 30 N SER A 3 8.910 -3.847 -0.087 1.00 0.00 N ATOM 31 CA SER A 3 8.931 -4.648 -1.306 1.00 0.00 C ATOM 32 C SER A 3 10.185 -5.514 -1.365 1.00 0.00 C ATOM 33 O SER A 3 10.739 -5.751 -2.438 1.00 0.00 O ATOM 34 CB SER A 3 8.864 -3.743 -2.537 1.00 0.00 C ATOM 35 OG SER A 3 7.550 -3.250 -2.738 1.00 0.00 O ATOM 0 H SER A 3 9.656 -3.154 -0.025 1.00 0.00 H new ATOM 0 HA SER A 3 8.059 -5.302 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.554 -2.908 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.186 -4.298 -3.418 1.00 0.00 H new ATOM 0 HG SER A 3 7.535 -2.673 -3.530 1.00 0.00 H new ATOM 41 N ALA A 4 10.627 -5.985 -0.203 1.00 0.00 N ATOM 42 CA ALA A 4 11.814 -6.827 -0.122 1.00 0.00 C ATOM 43 C ALA A 4 11.540 -8.218 -0.684 1.00 0.00 C ATOM 44 O ALA A 4 12.164 -8.657 -1.650 1.00 0.00 O ATOM 45 CB ALA A 4 12.295 -6.923 1.319 1.00 0.00 C ATOM 0 H ALA A 4 10.181 -5.798 0.695 1.00 0.00 H new ATOM 0 HA ALA A 4 12.597 -6.368 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.182 -7.555 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.539 -5.927 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.509 -7.356 1.937 1.00 0.00 H new ATOM 51 N PRO A 5 10.586 -8.930 -0.066 1.00 0.00 N ATOM 52 CA PRO A 5 10.208 -10.282 -0.488 1.00 0.00 C ATOM 53 C PRO A 5 9.482 -10.289 -1.828 1.00 0.00 C ATOM 54 O PRO A 5 9.666 -11.196 -2.641 1.00 0.00 O ATOM 55 CB PRO A 5 9.274 -10.754 0.629 1.00 0.00 C ATOM 56 CG PRO A 5 8.715 -9.501 1.210 1.00 0.00 C ATOM 57 CD PRO A 5 9.802 -8.469 1.093 1.00 0.00 C ATOM 0 HA PRO A 5 11.078 -10.922 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.484 -11.397 0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.814 -11.332 1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.820 -9.187 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.427 -9.648 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.393 -7.472 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.410 -8.421 1.996 1.00 0.00 H new ATOM 65 N PHE A 6 8.656 -9.272 -2.054 1.00 0.00 N ATOM 66 CA PHE A 6 7.902 -9.162 -3.297 1.00 0.00 C ATOM 67 C PHE A 6 8.833 -8.900 -4.477 1.00 0.00 C ATOM 68 O PHE A 6 8.505 -9.214 -5.621 1.00 0.00 O ATOM 69 CB PHE A 6 6.865 -8.042 -3.192 1.00 0.00 C ATOM 70 CG PHE A 6 5.628 -8.439 -2.439 1.00 0.00 C ATOM 71 CD1 PHE A 6 4.603 -9.121 -3.075 1.00 0.00 C ATOM 72 CD2 PHE A 6 5.489 -8.130 -1.095 1.00 0.00 C ATOM 73 CE1 PHE A 6 3.463 -9.487 -2.384 1.00 0.00 C ATOM 74 CE2 PHE A 6 4.351 -8.494 -0.399 1.00 0.00 C ATOM 75 CZ PHE A 6 3.337 -9.174 -1.045 1.00 0.00 C ATOM 0 H PHE A 6 8.492 -8.513 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 6 7.388 -10.108 -3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.320 -7.182 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.583 -7.723 -4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.696 -9.369 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.279 -7.599 -0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.671 -10.018 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.255 -8.247 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.447 -9.460 -0.504 1.00 0.00 H new ATOM 85 N GLU A 7 9.995 -8.322 -4.190 1.00 0.00 N ATOM 86 CA GLU A 7 10.972 -8.016 -5.227 1.00 0.00 C ATOM 87 C GLU A 7 11.572 -9.295 -5.804 1.00 0.00 C ATOM 88 O GLU A 7 11.651 -9.463 -7.022 1.00 0.00 O ATOM 89 CB GLU A 7 12.084 -7.127 -4.665 1.00 0.00 C ATOM 90 CG GLU A 7 11.957 -5.667 -5.067 1.00 0.00 C ATOM 91 CD GLU A 7 12.557 -5.382 -6.430 1.00 0.00 C ATOM 92 OE1 GLU A 7 13.786 -5.174 -6.505 1.00 0.00 O ATOM 93 OE2 GLU A 7 11.798 -5.368 -7.422 1.00 0.00 O ATOM 0 H GLU A 7 10.282 -8.056 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 7 10.459 -7.482 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.079 -7.197 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.048 -7.506 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.904 -5.386 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.450 -5.044 -4.320 1.00 0.00 H new ATOM 100 N LEU A 8 11.994 -10.194 -4.921 1.00 0.00 N ATOM 101 CA LEU A 8 12.587 -11.458 -5.341 1.00 0.00 C ATOM 102 C LEU A 8 11.677 -12.187 -6.324 1.00 0.00 C ATOM 103 O LEU A 8 12.146 -12.805 -7.281 1.00 0.00 O ATOM 104 CB LEU A 8 12.858 -12.346 -4.125 1.00 0.00 C ATOM 105 CG LEU A 8 14.316 -12.746 -3.898 1.00 0.00 C ATOM 106 CD1 LEU A 8 15.215 -11.520 -3.914 1.00 0.00 C ATOM 107 CD2 LEU A 8 14.464 -13.501 -2.585 1.00 0.00 C ATOM 0 H LEU A 8 11.936 -10.071 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 8 13.530 -11.239 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.502 -11.828 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.264 -13.255 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 8 14.622 -13.406 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.249 -11.825 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.132 -11.021 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.910 -10.835 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.508 -13.778 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.139 -12.865 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.850 -14.402 -2.612 1.00 0.00 H new ATOM 119 N PHE A 9 10.372 -12.109 -6.084 1.00 0.00 N ATOM 120 CA PHE A 9 9.395 -12.761 -6.949 1.00 0.00 C ATOM 121 C PHE A 9 9.659 -12.427 -8.414 1.00 0.00 C ATOM 122 O PHE A 9 9.439 -13.254 -9.300 1.00 0.00 O ATOM 123 CB PHE A 9 7.977 -12.333 -6.564 1.00 0.00 C ATOM 124 CG PHE A 9 7.239 -13.363 -5.757 1.00 0.00 C ATOM 125 CD1 PHE A 9 7.083 -14.655 -6.235 1.00 0.00 C ATOM 126 CD2 PHE A 9 6.702 -13.040 -4.522 1.00 0.00 C ATOM 127 CE1 PHE A 9 6.404 -15.604 -5.495 1.00 0.00 C ATOM 128 CE2 PHE A 9 6.022 -13.985 -3.777 1.00 0.00 C ATOM 129 CZ PHE A 9 5.874 -15.269 -4.264 1.00 0.00 C ATOM 0 H PHE A 9 9.967 -11.601 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 9 9.490 -13.839 -6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.028 -11.405 -5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.411 -12.120 -7.471 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.497 -14.923 -7.196 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.816 -12.038 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.288 -16.607 -5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.607 -13.720 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.345 -16.010 -3.683 1.00 0.00 H new ATOM 139 N PHE A 10 10.131 -11.210 -8.663 1.00 0.00 N ATOM 140 CA PHE A 10 10.423 -10.766 -10.020 1.00 0.00 C ATOM 141 C PHE A 10 11.818 -11.212 -10.450 1.00 0.00 C ATOM 142 O PHE A 10 12.057 -11.490 -11.625 1.00 0.00 O ATOM 143 CB PHE A 10 10.311 -9.243 -10.117 1.00 0.00 C ATOM 144 CG PHE A 10 10.564 -8.709 -11.498 1.00 0.00 C ATOM 145 CD1 PHE A 10 11.853 -8.632 -11.999 1.00 0.00 C ATOM 146 CD2 PHE A 10 9.512 -8.285 -12.294 1.00 0.00 C ATOM 147 CE1 PHE A 10 12.089 -8.142 -13.270 1.00 0.00 C ATOM 148 CE2 PHE A 10 9.742 -7.794 -13.565 1.00 0.00 C ATOM 149 CZ PHE A 10 11.033 -7.721 -14.054 1.00 0.00 C ATOM 0 H PHE A 10 10.319 -10.514 -7.942 1.00 0.00 H new ATOM 0 HA PHE A 10 9.692 -11.221 -10.689 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.315 -8.939 -9.796 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.021 -8.790 -9.425 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.683 -8.958 -11.390 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.501 -8.339 -11.917 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.099 -8.088 -13.650 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.914 -7.467 -14.176 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.215 -7.336 -15.046 1.00 0.00 H new ATOM 159 N MET A 11 12.734 -11.277 -9.490 1.00 0.00 N ATOM 160 CA MET A 11 14.104 -11.690 -9.768 1.00 0.00 C ATOM 161 C MET A 11 14.166 -13.176 -10.109 1.00 0.00 C ATOM 162 O MET A 11 14.981 -13.601 -10.928 1.00 0.00 O ATOM 163 CB MET A 11 15.004 -11.393 -8.567 1.00 0.00 C ATOM 164 CG MET A 11 15.687 -10.037 -8.640 1.00 0.00 C ATOM 165 SD MET A 11 14.522 -8.686 -8.904 1.00 0.00 S ATOM 166 CE MET A 11 14.231 -8.156 -7.218 1.00 0.00 C ATOM 0 H MET A 11 12.552 -11.049 -8.513 1.00 0.00 H new ATOM 0 HA MET A 11 14.460 -11.122 -10.628 1.00 0.00 H new ATOM 0 HB2 MET A 11 14.408 -11.442 -7.656 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.765 -12.170 -8.492 1.00 0.00 H new ATOM 0 HG2 MET A 11 16.237 -9.862 -7.716 1.00 0.00 H new ATOM 0 HG3 MET A 11 16.417 -10.045 -9.449 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.236 -7.718 -7.141 1.00 0.00 H new ATOM 0 HE2 MET A 11 14.303 -9.014 -6.549 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.977 -7.413 -6.936 1.00 0.00 H new ATOM 176 N ILE A 12 13.301 -13.960 -9.475 1.00 0.00 N ATOM 177 CA ILE A 12 13.257 -15.397 -9.713 1.00 0.00 C ATOM 178 C ILE A 12 12.405 -15.728 -10.933 1.00 0.00 C ATOM 179 O ILE A 12 12.800 -16.526 -11.781 1.00 0.00 O ATOM 180 CB ILE A 12 12.700 -16.153 -8.492 1.00 0.00 C ATOM 181 CG1 ILE A 12 13.663 -16.033 -7.308 1.00 0.00 C ATOM 182 CG2 ILE A 12 12.458 -17.614 -8.838 1.00 0.00 C ATOM 183 CD1 ILE A 12 13.077 -15.292 -6.126 1.00 0.00 C ATOM 0 H ILE A 12 12.621 -13.624 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 12 14.283 -15.718 -9.892 1.00 0.00 H new ATOM 0 HB ILE A 12 11.748 -15.705 -8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.961 -17.032 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.567 -15.520 -7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.065 -18.134 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.739 -17.680 -9.654 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.397 -18.076 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.814 -15.245 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.805 -14.281 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.189 -15.816 -5.772 1.00 0.00 H new ATOM 195 N ASN A 13 11.233 -15.106 -11.015 1.00 0.00 N ATOM 196 CA ASN A 13 10.324 -15.333 -12.132 1.00 0.00 C ATOM 197 C ASN A 13 11.045 -15.156 -13.465 1.00 0.00 C ATOM 198 O ASN A 13 11.124 -16.084 -14.270 1.00 0.00 O ATOM 199 CB ASN A 13 9.134 -14.374 -12.052 1.00 0.00 C ATOM 200 CG ASN A 13 8.119 -14.619 -13.152 1.00 0.00 C ATOM 201 OD1 ASN A 13 7.875 -13.752 -13.991 1.00 0.00 O ATOM 202 ND2 ASN A 13 7.521 -15.805 -13.152 1.00 0.00 N ATOM 0 H ASN A 13 10.891 -14.441 -10.321 1.00 0.00 H new ATOM 0 HA ASN A 13 9.960 -16.359 -12.069 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.648 -14.482 -11.082 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.494 -13.347 -12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.828 -16.027 -13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.754 -16.494 -12.437 1.00 0.00 H new ATOM 209 N THR A 14 11.571 -13.956 -13.692 1.00 0.00 N ATOM 210 CA THR A 14 12.285 -13.655 -14.926 1.00 0.00 C ATOM 211 C THR A 14 13.442 -14.624 -15.142 1.00 0.00 C ATOM 212 O THR A 14 13.870 -14.853 -16.273 1.00 0.00 O ATOM 213 CB THR A 14 12.831 -12.215 -14.923 1.00 0.00 C ATOM 214 OG1 THR A 14 13.294 -11.863 -16.231 1.00 0.00 O ATOM 215 CG2 THR A 14 13.967 -12.069 -13.921 1.00 0.00 C ATOM 0 H THR A 14 11.516 -13.177 -13.036 1.00 0.00 H new ATOM 0 HA THR A 14 11.568 -13.762 -15.740 1.00 0.00 H new ATOM 0 HB THR A 14 12.022 -11.544 -14.632 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.638 -10.945 -16.220 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.337 -11.044 -13.937 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.604 -12.308 -12.922 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.776 -12.750 -14.186 1.00 0.00 H new ATOM 223 N SER A 15 13.944 -15.192 -14.050 1.00 0.00 N ATOM 224 CA SER A 15 15.054 -16.135 -14.119 1.00 0.00 C ATOM 225 C SER A 15 14.606 -17.456 -14.737 1.00 0.00 C ATOM 226 O SER A 15 15.073 -17.842 -15.809 1.00 0.00 O ATOM 227 CB SER A 15 15.630 -16.381 -12.724 1.00 0.00 C ATOM 228 OG SER A 15 17.012 -16.687 -12.790 1.00 0.00 O ATOM 0 H SER A 15 13.599 -15.015 -13.106 1.00 0.00 H new ATOM 0 HA SER A 15 15.828 -15.701 -14.752 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.479 -15.497 -12.104 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.095 -17.201 -12.246 1.00 0.00 H new ATOM 0 HG SER A 15 17.357 -16.838 -11.885 1.00 0.00 H new ATOM 234 N ILE A 16 13.699 -18.145 -14.053 1.00 0.00 N ATOM 235 CA ILE A 16 13.187 -19.422 -14.535 1.00 0.00 C ATOM 236 C ILE A 16 12.689 -19.308 -15.971 1.00 0.00 C ATOM 237 O ILE A 16 12.695 -20.285 -16.721 1.00 0.00 O ATOM 238 CB ILE A 16 12.041 -19.940 -13.646 1.00 0.00 C ATOM 239 CG1 ILE A 16 12.524 -20.117 -12.205 1.00 0.00 C ATOM 240 CG2 ILE A 16 11.497 -21.251 -14.193 1.00 0.00 C ATOM 241 CD1 ILE A 16 11.405 -20.106 -11.187 1.00 0.00 C ATOM 0 H ILE A 16 13.304 -17.841 -13.163 1.00 0.00 H new ATOM 0 HA ILE A 16 14.015 -20.129 -14.496 1.00 0.00 H new ATOM 0 HB ILE A 16 11.236 -19.205 -13.652 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.067 -21.059 -12.126 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.229 -19.321 -11.966 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.688 -21.604 -13.554 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.119 -21.095 -15.204 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.293 -21.995 -14.214 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.821 -20.236 -10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.876 -19.155 -11.239 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.711 -20.919 -11.400 1.00 0.00 H new ATOM 253 N LEU A 17 12.260 -18.109 -16.350 1.00 0.00 N ATOM 254 CA LEU A 17 11.761 -17.866 -17.699 1.00 0.00 C ATOM 255 C LEU A 17 12.911 -17.606 -18.667 1.00 0.00 C ATOM 256 O LEU A 17 13.073 -18.317 -19.660 1.00 0.00 O ATOM 257 CB LEU A 17 10.799 -16.677 -17.701 1.00 0.00 C ATOM 258 CG LEU A 17 9.392 -16.952 -18.235 1.00 0.00 C ATOM 259 CD1 LEU A 17 8.525 -15.708 -18.121 1.00 0.00 C ATOM 260 CD2 LEU A 17 9.454 -17.431 -19.678 1.00 0.00 C ATOM 0 H LEU A 17 12.248 -17.290 -15.742 1.00 0.00 H new ATOM 0 HA LEU A 17 11.228 -18.758 -18.029 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.712 -16.304 -16.680 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.242 -15.878 -18.296 1.00 0.00 H new ATOM 0 HG LEU A 17 8.942 -17.740 -17.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.528 -15.923 -18.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.454 -15.409 -17.075 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.971 -14.899 -18.700 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.444 -17.622 -20.042 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.924 -16.665 -20.296 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.039 -18.349 -19.732 1.00 0.00 H new ATOM 272 N LEU A 18 13.707 -16.585 -18.371 1.00 0.00 N ATOM 273 CA LEU A 18 14.844 -16.232 -19.213 1.00 0.00 C ATOM 274 C LEU A 18 15.693 -17.460 -19.524 1.00 0.00 C ATOM 275 O LEU A 18 16.238 -17.589 -20.621 1.00 0.00 O ATOM 276 CB LEU A 18 15.700 -15.166 -18.528 1.00 0.00 C ATOM 277 CG LEU A 18 15.214 -13.723 -18.668 1.00 0.00 C ATOM 278 CD1 LEU A 18 16.268 -12.753 -18.157 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.862 -13.416 -20.116 1.00 0.00 C ATOM 0 H LEU A 18 13.586 -15.987 -17.554 1.00 0.00 H new ATOM 0 HA LEU A 18 14.459 -15.832 -20.151 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.763 -15.406 -17.467 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.712 -15.228 -18.929 1.00 0.00 H new ATOM 0 HG LEU A 18 14.315 -13.603 -18.063 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.905 -11.731 -18.265 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.471 -12.957 -17.106 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.185 -12.875 -18.734 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.518 -12.385 -20.196 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.744 -13.554 -20.742 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.072 -14.089 -20.449 1.00 0.00 H new ATOM 291 N ILE A 19 15.800 -18.360 -18.553 1.00 0.00 N ATOM 292 CA ILE A 19 16.580 -19.580 -18.725 1.00 0.00 C ATOM 293 C ILE A 19 16.005 -20.448 -19.839 1.00 0.00 C ATOM 294 O ILE A 19 16.653 -20.673 -20.861 1.00 0.00 O ATOM 295 CB ILE A 19 16.633 -20.402 -17.423 1.00 0.00 C ATOM 296 CG1 ILE A 19 17.312 -19.597 -16.313 1.00 0.00 C ATOM 297 CG2 ILE A 19 17.365 -21.715 -17.656 1.00 0.00 C ATOM 298 CD1 ILE A 19 16.832 -19.959 -14.925 1.00 0.00 C ATOM 0 H ILE A 19 15.357 -18.268 -17.639 1.00 0.00 H new ATOM 0 HA ILE A 19 17.591 -19.273 -18.993 1.00 0.00 H new ATOM 0 HB ILE A 19 15.613 -20.627 -17.111 1.00 0.00 H new ATOM 0 HG12 ILE A 19 18.389 -19.754 -16.369 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.135 -18.535 -16.485 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.394 -22.285 -16.727 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.843 -22.292 -18.419 1.00 0.00 H new ATOM 0 HG23 ILE A 19 18.383 -21.510 -17.988 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.356 -19.350 -14.188 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.760 -19.776 -14.851 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.034 -21.013 -14.734 1.00 0.00 H new ATOM 310 N PHE A 20 14.785 -20.932 -19.634 1.00 0.00 N ATOM 311 CA PHE A 20 14.121 -21.775 -20.622 1.00 0.00 C ATOM 312 C PHE A 20 13.932 -21.026 -21.937 1.00 0.00 C ATOM 313 O PHE A 20 13.824 -21.636 -23.001 1.00 0.00 O ATOM 314 CB PHE A 20 12.766 -22.247 -20.092 1.00 0.00 C ATOM 315 CG PHE A 20 12.479 -23.692 -20.384 1.00 0.00 C ATOM 316 CD1 PHE A 20 12.967 -24.291 -21.534 1.00 0.00 C ATOM 317 CD2 PHE A 20 11.719 -24.452 -19.509 1.00 0.00 C ATOM 318 CE1 PHE A 20 12.705 -25.620 -21.806 1.00 0.00 C ATOM 319 CE2 PHE A 20 11.454 -25.782 -19.775 1.00 0.00 C ATOM 320 CZ PHE A 20 11.947 -26.367 -20.925 1.00 0.00 C ATOM 0 H PHE A 20 14.236 -20.755 -18.793 1.00 0.00 H new ATOM 0 HA PHE A 20 14.754 -22.643 -20.806 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.731 -22.088 -19.014 1.00 0.00 H new ATOM 0 HB3 PHE A 20 11.979 -21.633 -20.530 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.560 -23.712 -22.227 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.329 -24.000 -18.609 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.092 -26.074 -22.706 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.862 -26.364 -19.084 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.740 -27.406 -21.135 1.00 0.00 H new ATOM 330 N ILE A 21 13.894 -19.700 -21.856 1.00 0.00 N ATOM 331 CA ILE A 21 13.719 -18.868 -23.040 1.00 0.00 C ATOM 332 C ILE A 21 14.995 -18.822 -23.873 1.00 0.00 C ATOM 333 O ILE A 21 14.993 -19.181 -25.051 1.00 0.00 O ATOM 334 CB ILE A 21 13.313 -17.430 -22.662 1.00 0.00 C ATOM 335 CG1 ILE A 21 11.796 -17.334 -22.488 1.00 0.00 C ATOM 336 CG2 ILE A 21 13.794 -16.449 -23.721 1.00 0.00 C ATOM 337 CD1 ILE A 21 11.333 -15.996 -21.956 1.00 0.00 C ATOM 0 H ILE A 21 13.982 -19.179 -20.983 1.00 0.00 H new ATOM 0 HA ILE A 21 12.920 -19.320 -23.628 1.00 0.00 H new ATOM 0 HB ILE A 21 13.785 -17.172 -21.714 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.316 -17.520 -23.449 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.466 -18.120 -21.809 1.00 0.00 H new ATOM 0 HG21 ILE A 21 13.500 -15.438 -23.440 1.00 0.00 H new ATOM 0 HG22 ILE A 21 14.880 -16.502 -23.800 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.347 -16.703 -24.682 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.247 -15.999 -21.858 1.00 0.00 H new ATOM 0 HD12 ILE A 21 11.785 -15.816 -20.981 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.632 -15.207 -22.646 1.00 0.00 H new ATOM 349 N PHE A 22 16.084 -18.380 -23.254 1.00 0.00 N ATOM 350 CA PHE A 22 17.368 -18.288 -23.938 1.00 0.00 C ATOM 351 C PHE A 22 17.844 -19.665 -24.390 1.00 0.00 C ATOM 352 O PHE A 22 18.163 -19.870 -25.562 1.00 0.00 O ATOM 353 CB PHE A 22 18.414 -17.650 -23.021 1.00 0.00 C ATOM 354 CG PHE A 22 18.096 -16.231 -22.644 1.00 0.00 C ATOM 355 CD1 PHE A 22 17.558 -15.357 -23.575 1.00 0.00 C ATOM 356 CD2 PHE A 22 18.336 -15.772 -21.359 1.00 0.00 C ATOM 357 CE1 PHE A 22 17.263 -14.051 -23.231 1.00 0.00 C ATOM 358 CE2 PHE A 22 18.043 -14.467 -21.009 1.00 0.00 C ATOM 359 CZ PHE A 22 17.507 -13.606 -21.947 1.00 0.00 C ATOM 0 H PHE A 22 16.103 -18.080 -22.279 1.00 0.00 H new ATOM 0 HA PHE A 22 17.237 -17.661 -24.820 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.503 -18.247 -22.114 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.385 -17.677 -23.516 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.367 -15.700 -24.581 1.00 0.00 H new ATOM 0 HD2 PHE A 22 18.757 -16.441 -20.623 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.842 -13.380 -23.965 1.00 0.00 H new ATOM 0 HE2 PHE A 22 18.233 -14.121 -20.004 1.00 0.00 H new ATOM 0 HZ PHE A 22 17.279 -12.586 -21.676 1.00 0.00 H new ATOM 369 N ILE A 23 17.889 -20.606 -23.452 1.00 0.00 N ATOM 370 CA ILE A 23 18.325 -21.964 -23.754 1.00 0.00 C ATOM 371 C ILE A 23 17.604 -22.513 -24.980 1.00 0.00 C ATOM 372 O ILE A 23 18.235 -22.986 -25.925 1.00 0.00 O ATOM 373 CB ILE A 23 18.083 -22.910 -22.563 1.00 0.00 C ATOM 374 CG1 ILE A 23 19.299 -22.918 -21.635 1.00 0.00 C ATOM 375 CG2 ILE A 23 17.777 -24.316 -23.057 1.00 0.00 C ATOM 376 CD1 ILE A 23 19.168 -21.976 -20.458 1.00 0.00 C ATOM 0 H ILE A 23 17.629 -20.453 -22.478 1.00 0.00 H new ATOM 0 HA ILE A 23 19.395 -21.915 -23.957 1.00 0.00 H new ATOM 0 HB ILE A 23 17.222 -22.549 -22.000 1.00 0.00 H new ATOM 0 HG12 ILE A 23 19.456 -23.931 -21.264 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.186 -22.648 -22.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.608 -24.973 -22.204 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.884 -24.296 -23.682 1.00 0.00 H new ATOM 0 HG23 ILE A 23 18.619 -24.688 -23.640 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.066 -22.034 -19.844 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.042 -20.956 -20.821 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.301 -22.258 -19.861 1.00 0.00 H new ATOM 388 N VAL A 24 16.276 -22.446 -24.958 1.00 0.00 N ATOM 389 CA VAL A 24 15.468 -22.934 -26.069 1.00 0.00 C ATOM 390 C VAL A 24 15.671 -22.078 -27.314 1.00 0.00 C ATOM 391 O VAL A 24 15.639 -22.579 -28.439 1.00 0.00 O ATOM 392 CB VAL A 24 13.971 -22.951 -25.709 1.00 0.00 C ATOM 393 CG1 VAL A 24 13.123 -23.145 -26.958 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.681 -24.037 -24.684 1.00 0.00 C ATOM 0 H VAL A 24 15.738 -22.059 -24.183 1.00 0.00 H new ATOM 0 HA VAL A 24 15.796 -23.953 -26.275 1.00 0.00 H new ATOM 0 HB VAL A 24 13.711 -21.989 -25.268 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.068 -23.154 -26.684 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.309 -22.328 -27.655 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.383 -24.092 -27.431 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.618 -24.034 -24.442 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.957 -25.008 -25.095 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.260 -23.848 -23.780 1.00 0.00 H new ATOM 404 N LEU A 25 15.880 -20.782 -27.106 1.00 0.00 N ATOM 405 CA LEU A 25 16.089 -19.854 -28.212 1.00 0.00 C ATOM 406 C LEU A 25 17.341 -20.222 -29.003 1.00 0.00 C ATOM 407 O LEU A 25 17.401 -20.027 -30.217 1.00 0.00 O ATOM 408 CB LEU A 25 16.206 -18.422 -27.687 1.00 0.00 C ATOM 409 CG LEU A 25 14.902 -17.628 -27.608 1.00 0.00 C ATOM 410 CD1 LEU A 25 15.165 -16.221 -27.094 1.00 0.00 C ATOM 411 CD2 LEU A 25 14.222 -17.582 -28.968 1.00 0.00 C ATOM 0 H LEU A 25 15.909 -20.351 -26.182 1.00 0.00 H new ATOM 0 HA LEU A 25 15.228 -19.921 -28.878 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.648 -18.456 -26.691 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.901 -17.878 -28.326 1.00 0.00 H new ATOM 0 HG LEU A 25 14.235 -18.130 -26.908 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.226 -15.670 -27.044 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.608 -16.274 -26.099 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.850 -15.709 -27.769 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.296 -17.013 -28.892 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.884 -17.104 -29.690 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.999 -18.597 -29.298 1.00 0.00 H new ATOM 423 N LEU A 26 18.338 -20.756 -28.306 1.00 0.00 N ATOM 424 CA LEU A 26 19.589 -21.154 -28.943 1.00 0.00 C ATOM 425 C LEU A 26 19.338 -22.183 -30.040 1.00 0.00 C ATOM 426 O LEU A 26 19.891 -22.084 -31.136 1.00 0.00 O ATOM 427 CB LEU A 26 20.554 -21.725 -27.903 1.00 0.00 C ATOM 428 CG LEU A 26 21.559 -20.739 -27.307 1.00 0.00 C ATOM 429 CD1 LEU A 26 22.461 -20.173 -28.393 1.00 0.00 C ATOM 430 CD2 LEU A 26 20.836 -19.618 -26.575 1.00 0.00 C ATOM 0 H LEU A 26 18.305 -20.923 -27.300 1.00 0.00 H new ATOM 0 HA LEU A 26 20.035 -20.269 -29.396 1.00 0.00 H new ATOM 0 HB2 LEU A 26 19.968 -22.152 -27.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 21.108 -22.544 -28.362 1.00 0.00 H new ATOM 0 HG LEU A 26 22.181 -21.274 -26.589 1.00 0.00 H new ATOM 0 HD11 LEU A 26 23.169 -19.473 -27.950 1.00 0.00 H new ATOM 0 HD12 LEU A 26 23.006 -20.986 -28.873 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.855 -19.654 -29.135 1.00 0.00 H new ATOM 0 HD21 LEU A 26 21.567 -18.926 -26.157 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.189 -19.086 -27.273 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.233 -20.039 -25.770 1.00 0.00 H new ATOM 442 N ILE A 27 18.500 -23.169 -29.739 1.00 0.00 N ATOM 443 CA ILE A 27 18.173 -24.214 -30.701 1.00 0.00 C ATOM 444 C ILE A 27 17.342 -23.660 -31.854 1.00 0.00 C ATOM 445 O ILE A 27 17.680 -23.848 -33.023 1.00 0.00 O ATOM 446 CB ILE A 27 17.402 -25.370 -30.036 1.00 0.00 C ATOM 447 CG1 ILE A 27 18.376 -26.431 -29.520 1.00 0.00 C ATOM 448 CG2 ILE A 27 16.415 -25.983 -31.019 1.00 0.00 C ATOM 449 CD1 ILE A 27 18.334 -26.611 -28.019 1.00 0.00 C ATOM 0 H ILE A 27 18.035 -23.266 -28.836 1.00 0.00 H new ATOM 0 HA ILE A 27 19.119 -24.594 -31.088 1.00 0.00 H new ATOM 0 HB ILE A 27 16.843 -24.974 -29.188 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.150 -27.384 -29.998 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.389 -26.158 -29.817 1.00 0.00 H new ATOM 0 HG21 ILE A 27 15.878 -26.798 -30.535 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.705 -25.223 -31.343 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.955 -26.368 -31.884 1.00 0.00 H new ATOM 0 HD11 ILE A 27 19.050 -27.378 -27.724 1.00 0.00 H new ATOM 0 HD12 ILE A 27 18.590 -25.670 -27.532 1.00 0.00 H new ATOM 0 HD13 ILE A 27 17.332 -26.915 -27.717 1.00 0.00 H new ATOM 461 N HIS A 28 16.254 -22.975 -31.516 1.00 0.00 N ATOM 462 CA HIS A 28 15.376 -22.391 -32.523 1.00 0.00 C ATOM 463 C HIS A 28 16.178 -21.598 -33.550 1.00 0.00 C ATOM 464 O HIS A 28 15.807 -21.525 -34.722 1.00 0.00 O ATOM 465 CB HIS A 28 14.337 -21.485 -31.860 1.00 0.00 C ATOM 466 CG HIS A 28 13.475 -20.748 -32.838 1.00 0.00 C ATOM 467 ND1 HIS A 28 13.733 -19.660 -33.602 1.00 0.00 N flip ATOM 468 CD2 HIS A 28 12.174 -21.111 -33.118 1.00 0.00 C flip ATOM 469 CE1 HIS A 28 12.596 -19.390 -34.323 1.00 0.00 C flip ATOM 470 NE2 HIS A 28 11.670 -20.281 -34.013 1.00 0.00 N flip ATOM 0 H HIS A 28 15.960 -22.811 -30.553 1.00 0.00 H new ATOM 0 HA HIS A 28 14.864 -23.204 -33.038 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.702 -22.088 -31.211 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.849 -20.763 -31.224 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.649 -21.944 -32.674 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.478 -18.581 -35.029 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.727 -20.321 -34.399 1.00 0.00 H new ATOM 478 N PHE A 29 17.280 -21.004 -33.103 1.00 0.00 N ATOM 479 CA PHE A 29 18.134 -20.215 -33.983 1.00 0.00 C ATOM 480 C PHE A 29 19.285 -21.058 -34.523 1.00 0.00 C ATOM 481 O PHE A 29 19.835 -20.767 -35.585 1.00 0.00 O ATOM 482 CB PHE A 29 18.684 -18.998 -33.237 1.00 0.00 C ATOM 483 CG PHE A 29 17.747 -17.824 -33.230 1.00 0.00 C ATOM 484 CD1 PHE A 29 17.345 -17.235 -34.418 1.00 0.00 C ATOM 485 CD2 PHE A 29 17.268 -17.309 -32.036 1.00 0.00 C ATOM 486 CE1 PHE A 29 16.483 -16.155 -34.416 1.00 0.00 C ATOM 487 CE2 PHE A 29 16.405 -16.230 -32.028 1.00 0.00 C ATOM 488 CZ PHE A 29 16.013 -15.651 -33.219 1.00 0.00 C ATOM 0 H PHE A 29 17.602 -21.054 -32.137 1.00 0.00 H new ATOM 0 HA PHE A 29 17.531 -19.875 -34.825 1.00 0.00 H new ATOM 0 HB2 PHE A 29 18.905 -19.282 -32.208 1.00 0.00 H new ATOM 0 HB3 PHE A 29 19.627 -18.697 -33.694 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.710 -17.625 -35.357 1.00 0.00 H new ATOM 0 HD2 PHE A 29 17.573 -17.756 -31.101 1.00 0.00 H new ATOM 0 HE1 PHE A 29 16.177 -15.706 -35.349 1.00 0.00 H new ATOM 0 HE2 PHE A 29 16.037 -15.839 -31.091 1.00 0.00 H new ATOM 0 HZ PHE A 29 15.340 -14.806 -33.214 1.00 0.00 H new ATOM 498 N GLU A 30 19.643 -22.103 -33.783 1.00 0.00 N ATOM 499 CA GLU A 30 20.730 -22.987 -34.188 1.00 0.00 C ATOM 500 C GLU A 30 20.302 -23.880 -35.349 1.00 0.00 C ATOM 501 O GLU A 30 21.075 -24.709 -35.827 1.00 0.00 O ATOM 502 CB GLU A 30 21.182 -23.849 -33.007 1.00 0.00 C ATOM 503 CG GLU A 30 22.358 -23.266 -32.243 1.00 0.00 C ATOM 504 CD GLU A 30 22.402 -23.726 -30.798 1.00 0.00 C ATOM 505 OE1 GLU A 30 21.725 -24.724 -30.472 1.00 0.00 O ATOM 506 OE2 GLU A 30 23.113 -23.088 -29.994 1.00 0.00 O ATOM 0 H GLU A 30 19.197 -22.358 -32.902 1.00 0.00 H new ATOM 0 HA GLU A 30 21.564 -22.368 -34.518 1.00 0.00 H new ATOM 0 HB2 GLU A 30 20.344 -23.980 -32.322 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.453 -24.839 -33.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.286 -23.551 -32.739 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.302 -22.178 -32.272 1.00 0.00 H new ATOM 513 N GLY A 31 19.062 -23.704 -35.797 1.00 0.00 N ATOM 514 CA GLY A 31 18.552 -24.500 -36.898 1.00 0.00 C ATOM 515 C GLY A 31 17.249 -25.195 -36.555 1.00 0.00 C ATOM 516 O GLY A 31 17.104 -26.398 -36.771 1.00 0.00 O ATOM 0 H GLY A 31 18.402 -23.025 -35.417 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.401 -23.859 -37.766 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.296 -25.246 -37.178 1.00 0.00 H new ATOM 520 N TRP A 32 16.300 -24.438 -36.017 1.00 0.00 N ATOM 521 CA TRP A 32 15.003 -24.989 -35.642 1.00 0.00 C ATOM 522 C TRP A 32 13.901 -23.948 -35.805 1.00 0.00 C ATOM 523 O TRP A 32 13.548 -23.250 -34.855 1.00 0.00 O ATOM 524 CB TRP A 32 15.038 -25.490 -34.197 1.00 0.00 C ATOM 525 CG TRP A 32 15.266 -26.967 -34.086 1.00 0.00 C ATOM 526 CD1 TRP A 32 14.312 -27.940 -33.994 1.00 0.00 C ATOM 527 CD2 TRP A 32 16.530 -27.639 -34.054 1.00 0.00 C ATOM 528 NE1 TRP A 32 14.906 -29.175 -33.906 1.00 0.00 N ATOM 529 CE2 TRP A 32 16.266 -29.018 -33.942 1.00 0.00 C ATOM 530 CE3 TRP A 32 17.859 -27.210 -34.111 1.00 0.00 C ATOM 531 CZ2 TRP A 32 17.283 -29.968 -33.884 1.00 0.00 C ATOM 532 CZ3 TRP A 32 18.867 -28.154 -34.054 1.00 0.00 C ATOM 533 CH2 TRP A 32 18.575 -29.520 -33.942 1.00 0.00 C ATOM 0 H TRP A 32 16.404 -23.441 -35.831 1.00 0.00 H new ATOM 0 HA TRP A 32 14.786 -25.827 -36.305 1.00 0.00 H new ATOM 0 HB2 TRP A 32 15.827 -24.966 -33.657 1.00 0.00 H new ATOM 0 HB3 TRP A 32 14.096 -25.237 -33.709 1.00 0.00 H new ATOM 0 HD1 TRP A 32 13.246 -27.764 -33.991 1.00 0.00 H new ATOM 0 HE1 TRP A 32 14.414 -30.065 -33.827 1.00 0.00 H new ATOM 0 HE3 TRP A 32 18.094 -26.160 -34.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 17.060 -31.021 -33.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 19.897 -27.833 -34.097 1.00 0.00 H new ATOM 0 HH2 TRP A 32 19.385 -30.233 -33.901 1.00 0.00 H new ATOM 544 N ARG A 33 13.361 -23.850 -37.016 1.00 0.00 N ATOM 545 CA ARG A 33 12.299 -22.893 -37.303 1.00 0.00 C ATOM 546 C ARG A 33 10.936 -23.579 -37.308 1.00 0.00 C ATOM 547 O ARG A 33 10.066 -23.247 -38.114 1.00 0.00 O ATOM 548 CB ARG A 33 12.546 -22.215 -38.652 1.00 0.00 C ATOM 549 CG ARG A 33 13.965 -21.700 -38.824 1.00 0.00 C ATOM 550 CD ARG A 33 14.224 -21.249 -40.254 1.00 0.00 C ATOM 551 NE ARG A 33 15.325 -20.292 -40.335 1.00 0.00 N ATOM 552 CZ ARG A 33 15.530 -19.496 -41.378 1.00 0.00 C ATOM 553 NH1 ARG A 33 14.715 -19.541 -42.422 1.00 0.00 N ATOM 554 NH2 ARG A 33 16.554 -18.651 -41.377 1.00 0.00 N ATOM 0 H ARG A 33 13.641 -24.421 -37.813 1.00 0.00 H new ATOM 0 HA ARG A 33 12.303 -22.137 -36.518 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.326 -22.923 -39.451 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.851 -21.383 -38.764 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.136 -20.867 -38.142 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.673 -22.484 -38.554 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.452 -22.117 -40.872 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.320 -20.797 -40.661 1.00 0.00 H new ATOM 0 HE ARG A 33 15.971 -20.232 -39.548 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.927 -20.189 -42.426 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.876 -18.928 -43.221 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.183 -18.613 -40.575 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.711 -18.040 -42.178 1.00 0.00 H new ATOM 568 N ILE A 34 10.758 -24.536 -36.403 1.00 0.00 N ATOM 569 CA ILE A 34 9.501 -25.267 -36.303 1.00 0.00 C ATOM 570 C ILE A 34 8.473 -24.485 -35.492 1.00 0.00 C ATOM 571 O ILE A 34 8.364 -24.703 -34.287 1.00 0.00 O ATOM 572 CB ILE A 34 9.704 -26.650 -35.656 1.00 0.00 C ATOM 573 CG1 ILE A 34 10.798 -27.426 -36.393 1.00 0.00 C ATOM 574 CG2 ILE A 34 8.399 -27.432 -35.657 1.00 0.00 C ATOM 575 CD1 ILE A 34 11.105 -28.772 -35.774 1.00 0.00 C ATOM 0 H ILE A 34 11.468 -24.823 -35.729 1.00 0.00 H new ATOM 0 HA ILE A 34 9.132 -25.401 -37.320 1.00 0.00 H new ATOM 0 HB ILE A 34 10.019 -26.509 -34.622 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.493 -27.573 -37.429 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.708 -26.827 -36.410 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.559 -28.407 -35.197 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.645 -26.883 -35.092 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.057 -27.567 -36.683 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.889 -29.266 -36.348 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.441 -28.632 -34.747 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.207 -29.389 -35.781 1.00 0.00 H new TER 587 ILE A 34 ATOM 588 N MET B 101 11.811 10.836 -8.910 1.00 0.00 N ATOM 589 CA MET B 101 10.409 10.443 -8.818 1.00 0.00 C ATOM 590 C MET B 101 9.966 9.713 -10.082 1.00 0.00 C ATOM 591 O MET B 101 8.782 9.700 -10.419 1.00 0.00 O ATOM 592 CB MET B 101 9.527 11.672 -8.589 1.00 0.00 C ATOM 593 CG MET B 101 9.688 12.743 -9.655 1.00 0.00 C ATOM 594 SD MET B 101 8.958 14.320 -9.171 1.00 0.00 S ATOM 595 CE MET B 101 9.688 15.417 -10.384 1.00 0.00 C ATOM 0 HA MET B 101 10.302 9.765 -7.971 1.00 0.00 H new ATOM 0 HB2 MET B 101 8.484 11.359 -8.555 1.00 0.00 H new ATOM 0 HB3 MET B 101 9.763 12.102 -7.615 1.00 0.00 H new ATOM 0 HG2 MET B 101 10.748 12.886 -9.863 1.00 0.00 H new ATOM 0 HG3 MET B 101 9.225 12.401 -10.581 1.00 0.00 H new ATOM 0 HE1 MET B 101 9.332 16.434 -10.216 1.00 0.00 H new ATOM 0 HE2 MET B 101 10.774 15.392 -10.290 1.00 0.00 H new ATOM 0 HE3 MET B 101 9.403 15.094 -11.385 1.00 0.00 H new ATOM 605 N ASP B 102 10.922 9.107 -10.776 1.00 0.00 N ATOM 606 CA ASP B 102 10.630 8.374 -12.003 1.00 0.00 C ATOM 607 C ASP B 102 11.700 7.322 -12.275 1.00 0.00 C ATOM 608 O ASP B 102 12.864 7.651 -12.501 1.00 0.00 O ATOM 609 CB ASP B 102 10.530 9.337 -13.187 1.00 0.00 C ATOM 610 CG ASP B 102 9.262 10.168 -13.152 1.00 0.00 C ATOM 611 OD1 ASP B 102 8.166 9.584 -13.285 1.00 0.00 O ATOM 612 OD2 ASP B 102 9.366 11.402 -12.992 1.00 0.00 O ATOM 0 H ASP B 102 11.907 9.108 -10.510 1.00 0.00 H new ATOM 0 HA ASP B 102 9.673 7.868 -11.876 1.00 0.00 H new ATOM 0 HB2 ASP B 102 11.395 10.000 -13.187 1.00 0.00 H new ATOM 0 HB3 ASP B 102 10.563 8.770 -14.117 1.00 0.00 H new ATOM 617 N SER B 103 11.297 6.055 -12.251 1.00 0.00 N ATOM 618 CA SER B 103 12.223 4.954 -12.491 1.00 0.00 C ATOM 619 C SER B 103 11.848 4.196 -13.761 1.00 0.00 C ATOM 620 O SER B 103 12.014 2.979 -13.842 1.00 0.00 O ATOM 621 CB SER B 103 12.232 3.998 -11.297 1.00 0.00 C ATOM 622 OG SER B 103 12.974 4.538 -10.217 1.00 0.00 O ATOM 0 H SER B 103 10.336 5.766 -12.068 1.00 0.00 H new ATOM 0 HA SER B 103 13.221 5.373 -12.620 1.00 0.00 H new ATOM 0 HB2 SER B 103 11.209 3.801 -10.977 1.00 0.00 H new ATOM 0 HB3 SER B 103 12.662 3.042 -11.596 1.00 0.00 H new ATOM 0 HG SER B 103 12.963 3.909 -9.466 1.00 0.00 H new ATOM 628 N ALA B 104 11.340 4.925 -14.750 1.00 0.00 N ATOM 629 CA ALA B 104 10.943 4.323 -16.016 1.00 0.00 C ATOM 630 C ALA B 104 12.162 3.894 -16.826 1.00 0.00 C ATOM 631 O ALA B 104 12.345 2.718 -17.142 1.00 0.00 O ATOM 632 CB ALA B 104 10.090 5.295 -16.818 1.00 0.00 C ATOM 0 H ALA B 104 11.194 5.933 -14.698 1.00 0.00 H new ATOM 0 HA ALA B 104 10.353 3.433 -15.798 1.00 0.00 H new ATOM 0 HB1 ALA B 104 9.801 4.832 -17.761 1.00 0.00 H new ATOM 0 HB2 ALA B 104 9.196 5.549 -16.249 1.00 0.00 H new ATOM 0 HB3 ALA B 104 10.662 6.201 -17.019 1.00 0.00 H new ATOM 638 N PRO B 105 13.016 4.868 -17.173 1.00 0.00 N ATOM 639 CA PRO B 105 14.232 4.615 -17.951 1.00 0.00 C ATOM 640 C PRO B 105 15.280 3.845 -17.155 1.00 0.00 C ATOM 641 O PRO B 105 15.991 3.000 -17.699 1.00 0.00 O ATOM 642 CB PRO B 105 14.740 6.020 -18.284 1.00 0.00 C ATOM 643 CG PRO B 105 14.191 6.887 -17.203 1.00 0.00 C ATOM 644 CD PRO B 105 12.861 6.292 -16.831 1.00 0.00 C ATOM 0 HA PRO B 105 14.033 4.000 -18.829 1.00 0.00 H new ATOM 0 HB2 PRO B 105 15.829 6.053 -18.303 1.00 0.00 H new ATOM 0 HB3 PRO B 105 14.394 6.344 -19.266 1.00 0.00 H new ATOM 0 HG2 PRO B 105 14.862 6.912 -16.344 1.00 0.00 H new ATOM 0 HG3 PRO B 105 14.076 7.915 -17.547 1.00 0.00 H new ATOM 0 HD2 PRO B 105 12.642 6.429 -15.772 1.00 0.00 H new ATOM 0 HD3 PRO B 105 12.045 6.752 -17.388 1.00 0.00 H new ATOM 652 N PHE B 106 15.371 4.142 -15.862 1.00 0.00 N ATOM 653 CA PHE B 106 16.333 3.477 -14.991 1.00 0.00 C ATOM 654 C PHE B 106 15.973 2.006 -14.806 1.00 0.00 C ATOM 655 O PHE B 106 16.837 1.177 -14.521 1.00 0.00 O ATOM 656 CB PHE B 106 16.387 4.175 -13.630 1.00 0.00 C ATOM 657 CG PHE B 106 17.209 5.433 -13.634 1.00 0.00 C ATOM 658 CD1 PHE B 106 18.586 5.376 -13.493 1.00 0.00 C ATOM 659 CD2 PHE B 106 16.604 6.671 -13.780 1.00 0.00 C ATOM 660 CE1 PHE B 106 19.344 6.532 -13.496 1.00 0.00 C ATOM 661 CE2 PHE B 106 17.358 7.830 -13.784 1.00 0.00 C ATOM 662 CZ PHE B 106 18.730 7.760 -13.642 1.00 0.00 C ATOM 0 H PHE B 106 14.790 4.839 -15.395 1.00 0.00 H new ATOM 0 HA PHE B 106 17.314 3.536 -15.462 1.00 0.00 H new ATOM 0 HB2 PHE B 106 15.372 4.415 -13.313 1.00 0.00 H new ATOM 0 HB3 PHE B 106 16.797 3.485 -12.893 1.00 0.00 H new ATOM 0 HD1 PHE B 106 19.072 4.418 -13.380 1.00 0.00 H new ATOM 0 HD2 PHE B 106 15.532 6.731 -13.892 1.00 0.00 H new ATOM 0 HE1 PHE B 106 20.417 6.475 -13.384 1.00 0.00 H new ATOM 0 HE2 PHE B 106 16.875 8.789 -13.898 1.00 0.00 H new ATOM 0 HZ PHE B 106 19.321 8.664 -13.645 1.00 0.00 H new ATOM 672 N GLU B 107 14.692 1.690 -14.971 1.00 0.00 N ATOM 673 CA GLU B 107 14.219 0.319 -14.820 1.00 0.00 C ATOM 674 C GLU B 107 14.763 -0.569 -15.935 1.00 0.00 C ATOM 675 O GLU B 107 15.300 -1.648 -15.678 1.00 0.00 O ATOM 676 CB GLU B 107 12.689 0.282 -14.824 1.00 0.00 C ATOM 677 CG GLU B 107 12.082 0.091 -13.444 1.00 0.00 C ATOM 678 CD GLU B 107 12.016 -1.367 -13.033 1.00 0.00 C ATOM 679 OE1 GLU B 107 11.049 -2.052 -13.428 1.00 0.00 O ATOM 680 OE2 GLU B 107 12.931 -1.824 -12.316 1.00 0.00 O ATOM 0 H GLU B 107 13.964 2.364 -15.209 1.00 0.00 H new ATOM 0 HA GLU B 107 14.582 -0.062 -13.866 1.00 0.00 H new ATOM 0 HB2 GLU B 107 12.312 1.211 -15.252 1.00 0.00 H new ATOM 0 HB3 GLU B 107 12.355 -0.527 -15.474 1.00 0.00 H new ATOM 0 HG2 GLU B 107 12.671 0.645 -12.712 1.00 0.00 H new ATOM 0 HG3 GLU B 107 11.078 0.514 -13.431 1.00 0.00 H new ATOM 687 N LEU B 108 14.620 -0.110 -17.173 1.00 0.00 N ATOM 688 CA LEU B 108 15.096 -0.862 -18.328 1.00 0.00 C ATOM 689 C LEU B 108 16.566 -1.236 -18.166 1.00 0.00 C ATOM 690 O LEU B 108 16.985 -2.330 -18.547 1.00 0.00 O ATOM 691 CB LEU B 108 14.904 -0.046 -19.608 1.00 0.00 C ATOM 692 CG LEU B 108 13.985 -0.661 -20.664 1.00 0.00 C ATOM 693 CD1 LEU B 108 12.662 -1.081 -20.042 1.00 0.00 C ATOM 694 CD2 LEU B 108 13.752 0.319 -21.804 1.00 0.00 C ATOM 0 H LEU B 108 14.178 0.780 -17.403 1.00 0.00 H new ATOM 0 HA LEU B 108 14.512 -1.780 -18.398 1.00 0.00 H new ATOM 0 HB2 LEU B 108 14.508 0.932 -19.336 1.00 0.00 H new ATOM 0 HB3 LEU B 108 15.882 0.121 -20.059 1.00 0.00 H new ATOM 0 HG LEU B 108 14.471 -1.549 -21.068 1.00 0.00 H new ATOM 0 HD11 LEU B 108 12.021 -1.516 -20.809 1.00 0.00 H new ATOM 0 HD12 LEU B 108 12.845 -1.819 -19.261 1.00 0.00 H new ATOM 0 HD13 LEU B 108 12.170 -0.209 -19.610 1.00 0.00 H new ATOM 0 HD21 LEU B 108 13.096 -0.136 -22.546 1.00 0.00 H new ATOM 0 HD22 LEU B 108 13.287 1.225 -21.415 1.00 0.00 H new ATOM 0 HD23 LEU B 108 14.706 0.570 -22.268 1.00 0.00 H new ATOM 706 N PHE B 109 17.345 -0.322 -17.597 1.00 0.00 N ATOM 707 CA PHE B 109 18.768 -0.556 -17.383 1.00 0.00 C ATOM 708 C PHE B 109 19.003 -1.913 -16.727 1.00 0.00 C ATOM 709 O PHE B 109 20.002 -2.581 -16.997 1.00 0.00 O ATOM 710 CB PHE B 109 19.364 0.554 -16.514 1.00 0.00 C ATOM 711 CG PHE B 109 20.170 1.555 -17.291 1.00 0.00 C ATOM 712 CD1 PHE B 109 21.234 1.147 -18.079 1.00 0.00 C ATOM 713 CD2 PHE B 109 19.864 2.905 -17.233 1.00 0.00 C ATOM 714 CE1 PHE B 109 21.977 2.067 -18.794 1.00 0.00 C ATOM 715 CE2 PHE B 109 20.603 3.830 -17.946 1.00 0.00 C ATOM 716 CZ PHE B 109 21.661 3.410 -18.728 1.00 0.00 C ATOM 0 H PHE B 109 17.014 0.588 -17.276 1.00 0.00 H new ATOM 0 HA PHE B 109 19.262 -0.552 -18.355 1.00 0.00 H new ATOM 0 HB2 PHE B 109 18.557 1.072 -15.996 1.00 0.00 H new ATOM 0 HB3 PHE B 109 19.997 0.105 -15.749 1.00 0.00 H new ATOM 0 HD1 PHE B 109 21.486 0.098 -18.135 1.00 0.00 H new ATOM 0 HD2 PHE B 109 19.038 3.239 -16.623 1.00 0.00 H new ATOM 0 HE1 PHE B 109 22.804 1.736 -19.404 1.00 0.00 H new ATOM 0 HE2 PHE B 109 20.354 4.879 -17.892 1.00 0.00 H new ATOM 0 HZ PHE B 109 22.240 4.130 -19.287 1.00 0.00 H new ATOM 726 N PHE B 110 18.077 -2.315 -15.863 1.00 0.00 N ATOM 727 CA PHE B 110 18.183 -3.591 -15.167 1.00 0.00 C ATOM 728 C PHE B 110 17.627 -4.726 -16.022 1.00 0.00 C ATOM 729 O PHE B 110 18.166 -5.832 -16.031 1.00 0.00 O ATOM 730 CB PHE B 110 17.437 -3.532 -13.832 1.00 0.00 C ATOM 731 CG PHE B 110 17.436 -4.836 -13.087 1.00 0.00 C ATOM 732 CD1 PHE B 110 18.505 -5.711 -13.194 1.00 0.00 C ATOM 733 CD2 PHE B 110 16.366 -5.187 -12.280 1.00 0.00 C ATOM 734 CE1 PHE B 110 18.507 -6.912 -12.509 1.00 0.00 C ATOM 735 CE2 PHE B 110 16.363 -6.386 -11.593 1.00 0.00 C ATOM 736 CZ PHE B 110 17.434 -7.250 -11.709 1.00 0.00 C ATOM 0 H PHE B 110 17.244 -1.775 -15.628 1.00 0.00 H new ATOM 0 HA PHE B 110 19.239 -3.785 -14.978 1.00 0.00 H new ATOM 0 HB2 PHE B 110 17.891 -2.765 -13.205 1.00 0.00 H new ATOM 0 HB3 PHE B 110 16.407 -3.226 -14.014 1.00 0.00 H new ATOM 0 HD1 PHE B 110 19.346 -5.452 -13.820 1.00 0.00 H new ATOM 0 HD2 PHE B 110 15.525 -4.516 -12.187 1.00 0.00 H new ATOM 0 HE1 PHE B 110 19.347 -7.585 -12.600 1.00 0.00 H new ATOM 0 HE2 PHE B 110 15.524 -6.647 -10.966 1.00 0.00 H new ATOM 0 HZ PHE B 110 17.432 -8.189 -11.175 1.00 0.00 H new ATOM 746 N MET B 111 16.545 -4.442 -16.740 1.00 0.00 N ATOM 747 CA MET B 111 15.916 -5.438 -17.600 1.00 0.00 C ATOM 748 C MET B 111 16.860 -5.864 -18.720 1.00 0.00 C ATOM 749 O MET B 111 16.871 -7.026 -19.126 1.00 0.00 O ATOM 750 CB MET B 111 14.619 -4.885 -18.193 1.00 0.00 C ATOM 751 CG MET B 111 13.385 -5.211 -17.368 1.00 0.00 C ATOM 752 SD MET B 111 13.530 -4.664 -15.656 1.00 0.00 S ATOM 753 CE MET B 111 12.681 -3.089 -15.730 1.00 0.00 C ATOM 0 H MET B 111 16.086 -3.531 -16.743 1.00 0.00 H new ATOM 0 HA MET B 111 15.685 -6.312 -16.992 1.00 0.00 H new ATOM 0 HB2 MET B 111 14.706 -3.803 -18.289 1.00 0.00 H new ATOM 0 HB3 MET B 111 14.490 -5.285 -19.199 1.00 0.00 H new ATOM 0 HG2 MET B 111 12.514 -4.740 -17.823 1.00 0.00 H new ATOM 0 HG3 MET B 111 13.213 -6.287 -17.388 1.00 0.00 H new ATOM 0 HE1 MET B 111 13.070 -2.429 -14.954 1.00 0.00 H new ATOM 0 HE2 MET B 111 12.842 -2.634 -16.708 1.00 0.00 H new ATOM 0 HE3 MET B 111 11.613 -3.243 -15.573 1.00 0.00 H new ATOM 763 N ILE B 112 17.650 -4.917 -19.214 1.00 0.00 N ATOM 764 CA ILE B 112 18.598 -5.195 -20.286 1.00 0.00 C ATOM 765 C ILE B 112 19.901 -5.761 -19.734 1.00 0.00 C ATOM 766 O ILE B 112 20.408 -6.770 -20.223 1.00 0.00 O ATOM 767 CB ILE B 112 18.907 -3.929 -21.106 1.00 0.00 C ATOM 768 CG1 ILE B 112 17.654 -3.455 -21.845 1.00 0.00 C ATOM 769 CG2 ILE B 112 20.038 -4.198 -22.088 1.00 0.00 C ATOM 770 CD1 ILE B 112 17.179 -2.086 -21.411 1.00 0.00 C ATOM 0 H ILE B 112 17.652 -3.950 -18.889 1.00 0.00 H new ATOM 0 HA ILE B 112 18.131 -5.934 -20.937 1.00 0.00 H new ATOM 0 HB ILE B 112 19.224 -3.140 -20.424 1.00 0.00 H new ATOM 0 HG12 ILE B 112 17.858 -3.437 -22.916 1.00 0.00 H new ATOM 0 HG13 ILE B 112 16.853 -4.176 -21.685 1.00 0.00 H new ATOM 0 HG21 ILE B 112 20.245 -3.294 -22.661 1.00 0.00 H new ATOM 0 HG22 ILE B 112 20.933 -4.494 -21.540 1.00 0.00 H new ATOM 0 HG23 ILE B 112 19.747 -4.999 -22.767 1.00 0.00 H new ATOM 0 HD11 ILE B 112 16.287 -1.814 -21.976 1.00 0.00 H new ATOM 0 HD12 ILE B 112 16.943 -2.103 -20.347 1.00 0.00 H new ATOM 0 HD13 ILE B 112 17.964 -1.353 -21.597 1.00 0.00 H new ATOM 782 N ASN B 113 20.438 -5.106 -18.710 1.00 0.00 N ATOM 783 CA ASN B 113 21.683 -5.545 -18.090 1.00 0.00 C ATOM 784 C ASN B 113 21.617 -7.025 -17.724 1.00 0.00 C ATOM 785 O ASN B 113 22.422 -7.829 -18.195 1.00 0.00 O ATOM 786 CB ASN B 113 21.976 -4.712 -16.840 1.00 0.00 C ATOM 787 CG ASN B 113 23.289 -5.094 -16.185 1.00 0.00 C ATOM 788 OD1 ASN B 113 23.317 -5.529 -15.033 1.00 0.00 O ATOM 789 ND2 ASN B 113 24.384 -4.933 -16.918 1.00 0.00 N ATOM 0 H ASN B 113 20.031 -4.269 -18.292 1.00 0.00 H new ATOM 0 HA ASN B 113 22.488 -5.403 -18.811 1.00 0.00 H new ATOM 0 HB2 ASN B 113 22.001 -3.656 -17.108 1.00 0.00 H new ATOM 0 HB3 ASN B 113 21.165 -4.840 -16.123 1.00 0.00 H new ATOM 0 HD21 ASN B 113 25.297 -5.173 -16.531 1.00 0.00 H new ATOM 0 HD22 ASN B 113 24.313 -4.569 -17.868 1.00 0.00 H new ATOM 796 N THR B 114 20.651 -7.378 -16.882 1.00 0.00 N ATOM 797 CA THR B 114 20.478 -8.760 -16.453 1.00 0.00 C ATOM 798 C THR B 114 20.280 -9.686 -17.647 1.00 0.00 C ATOM 799 O THR B 114 20.541 -10.886 -17.564 1.00 0.00 O ATOM 800 CB THR B 114 19.278 -8.906 -15.499 1.00 0.00 C ATOM 801 OG1 THR B 114 19.287 -10.205 -14.896 1.00 0.00 O ATOM 802 CG2 THR B 114 17.967 -8.696 -16.242 1.00 0.00 C ATOM 0 H THR B 114 19.976 -6.725 -16.483 1.00 0.00 H new ATOM 0 HA THR B 114 21.389 -9.043 -15.925 1.00 0.00 H new ATOM 0 HB THR B 114 19.364 -8.145 -14.724 1.00 0.00 H new ATOM 0 HG1 THR B 114 18.522 -10.289 -14.290 1.00 0.00 H new ATOM 0 HG21 THR B 114 17.134 -8.804 -15.548 1.00 0.00 H new ATOM 0 HG22 THR B 114 17.951 -7.696 -16.676 1.00 0.00 H new ATOM 0 HG23 THR B 114 17.876 -9.437 -17.036 1.00 0.00 H new ATOM 810 N SER B 115 19.817 -9.121 -18.758 1.00 0.00 N ATOM 811 CA SER B 115 19.581 -9.898 -19.969 1.00 0.00 C ATOM 812 C SER B 115 20.899 -10.354 -20.588 1.00 0.00 C ATOM 813 O SER B 115 21.181 -11.550 -20.661 1.00 0.00 O ATOM 814 CB SER B 115 18.788 -9.071 -20.983 1.00 0.00 C ATOM 815 OG SER B 115 17.969 -9.902 -21.789 1.00 0.00 O ATOM 0 H SER B 115 19.598 -8.129 -18.844 1.00 0.00 H new ATOM 0 HA SER B 115 19.003 -10.781 -19.698 1.00 0.00 H new ATOM 0 HB2 SER B 115 18.169 -8.343 -20.459 1.00 0.00 H new ATOM 0 HB3 SER B 115 19.475 -8.509 -21.615 1.00 0.00 H new ATOM 0 HG SER B 115 17.471 -9.350 -22.428 1.00 0.00 H new ATOM 821 N ILE B 116 21.702 -9.392 -21.031 1.00 0.00 N ATOM 822 CA ILE B 116 22.990 -9.694 -21.642 1.00 0.00 C ATOM 823 C ILE B 116 23.821 -10.609 -20.748 1.00 0.00 C ATOM 824 O ILE B 116 24.674 -11.357 -21.229 1.00 0.00 O ATOM 825 CB ILE B 116 23.791 -8.411 -21.930 1.00 0.00 C ATOM 826 CG1 ILE B 116 23.004 -7.492 -22.868 1.00 0.00 C ATOM 827 CG2 ILE B 116 25.145 -8.755 -22.531 1.00 0.00 C ATOM 828 CD1 ILE B 116 23.435 -6.044 -22.797 1.00 0.00 C ATOM 0 H ILE B 116 21.483 -8.397 -20.978 1.00 0.00 H new ATOM 0 HA ILE B 116 22.782 -10.201 -22.584 1.00 0.00 H new ATOM 0 HB ILE B 116 23.956 -7.885 -20.990 1.00 0.00 H new ATOM 0 HG12 ILE B 116 23.119 -7.847 -23.892 1.00 0.00 H new ATOM 0 HG13 ILE B 116 21.944 -7.559 -22.624 1.00 0.00 H new ATOM 0 HG21 ILE B 116 25.699 -7.837 -22.729 1.00 0.00 H new ATOM 0 HG22 ILE B 116 25.707 -9.374 -21.832 1.00 0.00 H new ATOM 0 HG23 ILE B 116 25.001 -9.300 -23.464 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.835 -5.451 -23.488 1.00 0.00 H new ATOM 0 HD12 ILE B 116 23.294 -5.672 -21.782 1.00 0.00 H new ATOM 0 HD13 ILE B 116 24.487 -5.964 -23.070 1.00 0.00 H new ATOM 840 N LEU B 117 23.567 -10.545 -19.446 1.00 0.00 N ATOM 841 CA LEU B 117 24.290 -11.369 -18.484 1.00 0.00 C ATOM 842 C LEU B 117 23.674 -12.762 -18.388 1.00 0.00 C ATOM 843 O LEU B 117 24.330 -13.764 -18.675 1.00 0.00 O ATOM 844 CB LEU B 117 24.288 -10.702 -17.108 1.00 0.00 C ATOM 845 CG LEU B 117 25.661 -10.425 -16.494 1.00 0.00 C ATOM 846 CD1 LEU B 117 25.515 -9.695 -15.168 1.00 0.00 C ATOM 847 CD2 LEU B 117 26.433 -11.723 -16.308 1.00 0.00 C ATOM 0 H LEU B 117 22.866 -9.931 -19.032 1.00 0.00 H new ATOM 0 HA LEU B 117 25.319 -11.470 -18.830 1.00 0.00 H new ATOM 0 HB2 LEU B 117 23.750 -9.757 -17.185 1.00 0.00 H new ATOM 0 HB3 LEU B 117 23.726 -11.334 -16.421 1.00 0.00 H new ATOM 0 HG LEU B 117 26.221 -9.787 -17.177 1.00 0.00 H new ATOM 0 HD11 LEU B 117 26.502 -9.506 -14.746 1.00 0.00 H new ATOM 0 HD12 LEU B 117 25.002 -8.747 -15.329 1.00 0.00 H new ATOM 0 HD13 LEU B 117 24.936 -10.308 -14.477 1.00 0.00 H new ATOM 0 HD21 LEU B 117 27.408 -11.507 -15.870 1.00 0.00 H new ATOM 0 HD22 LEU B 117 25.876 -12.386 -15.646 1.00 0.00 H new ATOM 0 HD23 LEU B 117 26.569 -12.207 -17.275 1.00 0.00 H new ATOM 859 N LEU B 118 22.410 -12.817 -17.984 1.00 0.00 N ATOM 860 CA LEU B 118 21.703 -14.086 -17.852 1.00 0.00 C ATOM 861 C LEU B 118 21.868 -14.934 -19.109 1.00 0.00 C ATOM 862 O LEU B 118 21.963 -16.159 -19.035 1.00 0.00 O ATOM 863 CB LEU B 118 20.218 -13.840 -17.580 1.00 0.00 C ATOM 864 CG LEU B 118 19.855 -13.443 -16.149 1.00 0.00 C ATOM 865 CD1 LEU B 118 18.347 -13.461 -15.956 1.00 0.00 C ATOM 866 CD2 LEU B 118 20.534 -14.368 -15.150 1.00 0.00 C ATOM 0 H LEU B 118 21.853 -11.997 -17.742 1.00 0.00 H new ATOM 0 HA LEU B 118 22.135 -14.628 -17.011 1.00 0.00 H new ATOM 0 HB2 LEU B 118 19.871 -13.056 -18.253 1.00 0.00 H new ATOM 0 HB3 LEU B 118 19.667 -14.745 -17.835 1.00 0.00 H new ATOM 0 HG LEU B 118 20.211 -12.428 -15.973 1.00 0.00 H new ATOM 0 HD11 LEU B 118 18.108 -13.176 -14.932 1.00 0.00 H new ATOM 0 HD12 LEU B 118 17.883 -12.756 -16.646 1.00 0.00 H new ATOM 0 HD13 LEU B 118 17.967 -14.464 -16.151 1.00 0.00 H new ATOM 0 HD21 LEU B 118 20.264 -14.070 -14.137 1.00 0.00 H new ATOM 0 HD22 LEU B 118 20.210 -15.394 -15.325 1.00 0.00 H new ATOM 0 HD23 LEU B 118 21.615 -14.304 -15.271 1.00 0.00 H new ATOM 878 N ILE B 119 21.902 -14.274 -20.262 1.00 0.00 N ATOM 879 CA ILE B 119 22.059 -14.967 -21.535 1.00 0.00 C ATOM 880 C ILE B 119 23.411 -15.667 -21.617 1.00 0.00 C ATOM 881 O ILE B 119 23.484 -16.894 -21.683 1.00 0.00 O ATOM 882 CB ILE B 119 21.922 -13.998 -22.724 1.00 0.00 C ATOM 883 CG1 ILE B 119 20.521 -13.385 -22.752 1.00 0.00 C ATOM 884 CG2 ILE B 119 22.217 -14.719 -24.031 1.00 0.00 C ATOM 885 CD1 ILE B 119 20.466 -12.031 -23.424 1.00 0.00 C ATOM 0 H ILE B 119 21.823 -13.260 -20.341 1.00 0.00 H new ATOM 0 HA ILE B 119 21.264 -15.711 -21.589 1.00 0.00 H new ATOM 0 HB ILE B 119 22.647 -13.193 -22.603 1.00 0.00 H new ATOM 0 HG12 ILE B 119 19.846 -14.066 -23.270 1.00 0.00 H new ATOM 0 HG13 ILE B 119 20.155 -13.289 -21.730 1.00 0.00 H new ATOM 0 HG21 ILE B 119 22.116 -14.021 -24.862 1.00 0.00 H new ATOM 0 HG22 ILE B 119 23.233 -15.112 -24.008 1.00 0.00 H new ATOM 0 HG23 ILE B 119 21.513 -15.541 -24.160 1.00 0.00 H new ATOM 0 HD11 ILE B 119 19.442 -11.658 -23.407 1.00 0.00 H new ATOM 0 HD12 ILE B 119 21.115 -11.335 -22.893 1.00 0.00 H new ATOM 0 HD13 ILE B 119 20.801 -12.124 -24.457 1.00 0.00 H new ATOM 897 N PHE B 120 24.481 -14.878 -21.609 1.00 0.00 N ATOM 898 CA PHE B 120 25.832 -15.422 -21.682 1.00 0.00 C ATOM 899 C PHE B 120 26.100 -16.370 -20.516 1.00 0.00 C ATOM 900 O PHE B 120 26.941 -17.264 -20.611 1.00 0.00 O ATOM 901 CB PHE B 120 26.861 -14.290 -21.681 1.00 0.00 C ATOM 902 CG PHE B 120 27.975 -14.491 -22.668 1.00 0.00 C ATOM 903 CD1 PHE B 120 28.431 -15.765 -22.967 1.00 0.00 C ATOM 904 CD2 PHE B 120 28.567 -13.407 -23.295 1.00 0.00 C ATOM 905 CE1 PHE B 120 29.456 -15.954 -23.875 1.00 0.00 C ATOM 906 CE2 PHE B 120 29.592 -13.589 -24.204 1.00 0.00 C ATOM 907 CZ PHE B 120 30.038 -14.864 -24.494 1.00 0.00 C ATOM 0 H PHE B 120 24.438 -13.860 -21.553 1.00 0.00 H new ATOM 0 HA PHE B 120 25.921 -15.984 -22.612 1.00 0.00 H new ATOM 0 HB2 PHE B 120 26.355 -13.350 -21.903 1.00 0.00 H new ATOM 0 HB3 PHE B 120 27.285 -14.196 -20.681 1.00 0.00 H new ATOM 0 HD1 PHE B 120 27.980 -16.620 -22.485 1.00 0.00 H new ATOM 0 HD2 PHE B 120 28.224 -12.408 -23.071 1.00 0.00 H new ATOM 0 HE1 PHE B 120 29.802 -16.952 -24.100 1.00 0.00 H new ATOM 0 HE2 PHE B 120 30.044 -12.735 -24.687 1.00 0.00 H new ATOM 0 HZ PHE B 120 30.840 -15.009 -25.203 1.00 0.00 H new ATOM 917 N ILE B 121 25.381 -16.165 -19.418 1.00 0.00 N ATOM 918 CA ILE B 121 25.541 -17.001 -18.235 1.00 0.00 C ATOM 919 C ILE B 121 24.966 -18.395 -18.464 1.00 0.00 C ATOM 920 O ILE B 121 25.675 -19.395 -18.358 1.00 0.00 O ATOM 921 CB ILE B 121 24.858 -16.373 -17.005 1.00 0.00 C ATOM 922 CG1 ILE B 121 25.789 -15.355 -16.342 1.00 0.00 C ATOM 923 CG2 ILE B 121 24.453 -17.453 -16.014 1.00 0.00 C ATOM 924 CD1 ILE B 121 25.136 -14.583 -15.217 1.00 0.00 C ATOM 0 H ILE B 121 24.682 -15.428 -19.323 1.00 0.00 H new ATOM 0 HA ILE B 121 26.612 -17.078 -18.047 1.00 0.00 H new ATOM 0 HB ILE B 121 23.958 -15.854 -17.334 1.00 0.00 H new ATOM 0 HG12 ILE B 121 26.665 -15.875 -15.955 1.00 0.00 H new ATOM 0 HG13 ILE B 121 26.143 -14.652 -17.097 1.00 0.00 H new ATOM 0 HG21 ILE B 121 23.972 -16.993 -15.151 1.00 0.00 H new ATOM 0 HG22 ILE B 121 23.758 -18.143 -16.492 1.00 0.00 H new ATOM 0 HG23 ILE B 121 25.339 -17.998 -15.688 1.00 0.00 H new ATOM 0 HD11 ILE B 121 25.854 -13.880 -14.794 1.00 0.00 H new ATOM 0 HD12 ILE B 121 24.276 -14.035 -15.603 1.00 0.00 H new ATOM 0 HD13 ILE B 121 24.807 -15.276 -14.443 1.00 0.00 H new ATOM 936 N PHE B 122 23.677 -18.452 -18.781 1.00 0.00 N ATOM 937 CA PHE B 122 23.006 -19.724 -19.027 1.00 0.00 C ATOM 938 C PHE B 122 23.622 -20.440 -20.226 1.00 0.00 C ATOM 939 O PHE B 122 24.034 -21.596 -20.126 1.00 0.00 O ATOM 940 CB PHE B 122 21.512 -19.499 -19.265 1.00 0.00 C ATOM 941 CG PHE B 122 20.828 -18.773 -18.142 1.00 0.00 C ATOM 942 CD1 PHE B 122 21.238 -18.955 -16.831 1.00 0.00 C ATOM 943 CD2 PHE B 122 19.776 -17.909 -18.397 1.00 0.00 C ATOM 944 CE1 PHE B 122 20.612 -18.288 -15.795 1.00 0.00 C ATOM 945 CE2 PHE B 122 19.146 -17.239 -17.365 1.00 0.00 C ATOM 946 CZ PHE B 122 19.563 -17.430 -16.062 1.00 0.00 C ATOM 0 H PHE B 122 23.076 -17.633 -18.874 1.00 0.00 H new ATOM 0 HA PHE B 122 23.135 -20.352 -18.145 1.00 0.00 H new ATOM 0 HB2 PHE B 122 21.381 -18.932 -20.187 1.00 0.00 H new ATOM 0 HB3 PHE B 122 21.026 -20.464 -19.412 1.00 0.00 H new ATOM 0 HD1 PHE B 122 22.056 -19.626 -16.616 1.00 0.00 H new ATOM 0 HD2 PHE B 122 19.444 -17.757 -19.413 1.00 0.00 H new ATOM 0 HE1 PHE B 122 20.943 -18.437 -14.778 1.00 0.00 H new ATOM 0 HE2 PHE B 122 18.328 -16.566 -17.577 1.00 0.00 H new ATOM 0 HZ PHE B 122 19.070 -16.910 -15.254 1.00 0.00 H new ATOM 956 N ILE B 123 23.679 -19.746 -21.357 1.00 0.00 N ATOM 957 CA ILE B 123 24.244 -20.315 -22.574 1.00 0.00 C ATOM 958 C ILE B 123 25.578 -20.998 -22.294 1.00 0.00 C ATOM 959 O ILE B 123 25.774 -22.165 -22.636 1.00 0.00 O ATOM 960 CB ILE B 123 24.448 -19.238 -23.656 1.00 0.00 C ATOM 961 CG1 ILE B 123 23.189 -19.099 -24.513 1.00 0.00 C ATOM 962 CG2 ILE B 123 25.650 -19.581 -24.524 1.00 0.00 C ATOM 963 CD1 ILE B 123 22.191 -18.103 -23.964 1.00 0.00 C ATOM 0 H ILE B 123 23.341 -18.789 -21.456 1.00 0.00 H new ATOM 0 HA ILE B 123 23.530 -21.054 -22.938 1.00 0.00 H new ATOM 0 HB ILE B 123 24.638 -18.283 -23.166 1.00 0.00 H new ATOM 0 HG12 ILE B 123 23.476 -18.796 -25.520 1.00 0.00 H new ATOM 0 HG13 ILE B 123 22.708 -20.073 -24.599 1.00 0.00 H new ATOM 0 HG21 ILE B 123 25.782 -18.811 -25.284 1.00 0.00 H new ATOM 0 HG22 ILE B 123 26.544 -19.634 -23.903 1.00 0.00 H new ATOM 0 HG23 ILE B 123 25.487 -20.544 -25.008 1.00 0.00 H new ATOM 0 HD11 ILE B 123 21.324 -18.056 -24.623 1.00 0.00 H new ATOM 0 HD12 ILE B 123 21.875 -18.416 -22.969 1.00 0.00 H new ATOM 0 HD13 ILE B 123 22.655 -17.118 -23.905 1.00 0.00 H new ATOM 975 N VAL B 124 26.492 -20.265 -21.668 1.00 0.00 N ATOM 976 CA VAL B 124 27.808 -20.801 -21.338 1.00 0.00 C ATOM 977 C VAL B 124 27.708 -21.879 -20.265 1.00 0.00 C ATOM 978 O VAL B 124 28.488 -22.832 -20.253 1.00 0.00 O ATOM 979 CB VAL B 124 28.759 -19.692 -20.851 1.00 0.00 C ATOM 980 CG1 VAL B 124 30.001 -20.296 -20.213 1.00 0.00 C ATOM 981 CG2 VAL B 124 29.135 -18.769 -22.000 1.00 0.00 C ATOM 0 H VAL B 124 26.346 -19.298 -21.379 1.00 0.00 H new ATOM 0 HA VAL B 124 28.211 -21.239 -22.251 1.00 0.00 H new ATOM 0 HB VAL B 124 28.242 -19.101 -20.095 1.00 0.00 H new ATOM 0 HG11 VAL B 124 30.661 -19.497 -19.875 1.00 0.00 H new ATOM 0 HG12 VAL B 124 29.710 -20.911 -19.362 1.00 0.00 H new ATOM 0 HG13 VAL B 124 30.523 -20.913 -20.945 1.00 0.00 H new ATOM 0 HG21 VAL B 124 29.807 -17.992 -21.637 1.00 0.00 H new ATOM 0 HG22 VAL B 124 29.633 -19.344 -22.781 1.00 0.00 H new ATOM 0 HG23 VAL B 124 28.234 -18.309 -22.407 1.00 0.00 H new ATOM 991 N LEU B 125 26.745 -21.722 -19.364 1.00 0.00 N ATOM 992 CA LEU B 125 26.542 -22.682 -18.285 1.00 0.00 C ATOM 993 C LEU B 125 26.124 -24.041 -18.837 1.00 0.00 C ATOM 994 O LEU B 125 26.447 -25.083 -18.264 1.00 0.00 O ATOM 995 CB LEU B 125 25.483 -22.168 -17.309 1.00 0.00 C ATOM 996 CG LEU B 125 26.000 -21.343 -16.130 1.00 0.00 C ATOM 997 CD1 LEU B 125 24.849 -20.908 -15.237 1.00 0.00 C ATOM 998 CD2 LEU B 125 27.025 -22.138 -15.333 1.00 0.00 C ATOM 0 H LEU B 125 26.092 -20.938 -19.359 1.00 0.00 H new ATOM 0 HA LEU B 125 27.487 -22.800 -17.755 1.00 0.00 H new ATOM 0 HB2 LEU B 125 24.769 -21.561 -17.866 1.00 0.00 H new ATOM 0 HB3 LEU B 125 24.935 -23.024 -16.915 1.00 0.00 H new ATOM 0 HG LEU B 125 26.486 -20.449 -16.521 1.00 0.00 H new ATOM 0 HD11 LEU B 125 25.236 -20.322 -14.404 1.00 0.00 H new ATOM 0 HD12 LEU B 125 24.151 -20.301 -15.813 1.00 0.00 H new ATOM 0 HD13 LEU B 125 24.334 -21.788 -14.853 1.00 0.00 H new ATOM 0 HD21 LEU B 125 27.383 -21.536 -14.498 1.00 0.00 H new ATOM 0 HD22 LEU B 125 26.563 -23.049 -14.952 1.00 0.00 H new ATOM 0 HD23 LEU B 125 27.864 -22.399 -15.978 1.00 0.00 H new ATOM 1010 N LEU B 126 25.406 -24.024 -19.955 1.00 0.00 N ATOM 1011 CA LEU B 126 24.945 -25.256 -20.587 1.00 0.00 C ATOM 1012 C LEU B 126 26.122 -26.156 -20.948 1.00 0.00 C ATOM 1013 O LEU B 126 26.082 -27.366 -20.725 1.00 0.00 O ATOM 1014 CB LEU B 126 24.131 -24.934 -21.841 1.00 0.00 C ATOM 1015 CG LEU B 126 22.614 -24.880 -21.661 1.00 0.00 C ATOM 1016 CD1 LEU B 126 22.088 -26.214 -21.153 1.00 0.00 C ATOM 1017 CD2 LEU B 126 22.230 -23.756 -20.709 1.00 0.00 C ATOM 0 H LEU B 126 25.131 -23.171 -20.442 1.00 0.00 H new ATOM 0 HA LEU B 126 24.311 -25.786 -19.876 1.00 0.00 H new ATOM 0 HB2 LEU B 126 24.465 -23.972 -22.230 1.00 0.00 H new ATOM 0 HB3 LEU B 126 24.360 -25.681 -22.600 1.00 0.00 H new ATOM 0 HG LEU B 126 22.159 -24.680 -22.631 1.00 0.00 H new ATOM 0 HD11 LEU B 126 21.006 -26.156 -21.031 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.331 -26.998 -21.870 1.00 0.00 H new ATOM 0 HD13 LEU B 126 22.549 -26.445 -20.193 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.147 -23.732 -20.592 1.00 0.00 H new ATOM 0 HD22 LEU B 126 22.696 -23.926 -19.738 1.00 0.00 H new ATOM 0 HD23 LEU B 126 22.572 -22.804 -21.114 1.00 0.00 H new ATOM 1029 N ILE B 127 27.170 -25.557 -21.504 1.00 0.00 N ATOM 1030 CA ILE B 127 28.359 -26.305 -21.892 1.00 0.00 C ATOM 1031 C ILE B 127 29.117 -26.807 -20.668 1.00 0.00 C ATOM 1032 O ILE B 127 29.422 -27.995 -20.557 1.00 0.00 O ATOM 1033 CB ILE B 127 29.307 -25.448 -22.753 1.00 0.00 C ATOM 1034 CG1 ILE B 127 28.967 -25.607 -24.236 1.00 0.00 C ATOM 1035 CG2 ILE B 127 30.755 -25.835 -22.491 1.00 0.00 C ATOM 1036 CD1 ILE B 127 28.458 -24.335 -24.879 1.00 0.00 C ATOM 0 H ILE B 127 27.220 -24.556 -21.696 1.00 0.00 H new ATOM 0 HA ILE B 127 28.018 -27.157 -22.480 1.00 0.00 H new ATOM 0 HB ILE B 127 29.176 -24.401 -22.480 1.00 0.00 H new ATOM 0 HG12 ILE B 127 29.855 -25.944 -24.770 1.00 0.00 H new ATOM 0 HG13 ILE B 127 28.214 -26.387 -24.346 1.00 0.00 H new ATOM 0 HG21 ILE B 127 31.413 -25.221 -23.106 1.00 0.00 H new ATOM 0 HG22 ILE B 127 30.989 -25.676 -21.439 1.00 0.00 H new ATOM 0 HG23 ILE B 127 30.902 -26.886 -22.740 1.00 0.00 H new ATOM 0 HD11 ILE B 127 28.237 -24.522 -25.930 1.00 0.00 H new ATOM 0 HD12 ILE B 127 27.551 -24.008 -24.370 1.00 0.00 H new ATOM 0 HD13 ILE B 127 29.219 -23.558 -24.801 1.00 0.00 H new ATOM 1048 N HIS B 128 29.417 -25.894 -19.749 1.00 0.00 N ATOM 1049 CA HIS B 128 30.138 -26.244 -18.530 1.00 0.00 C ATOM 1050 C HIS B 128 29.503 -27.456 -17.853 1.00 0.00 C ATOM 1051 O HIS B 128 30.191 -28.256 -17.220 1.00 0.00 O ATOM 1052 CB HIS B 128 30.157 -25.058 -17.565 1.00 0.00 C ATOM 1053 CG HIS B 128 30.753 -25.382 -16.230 1.00 0.00 C ATOM 1054 ND1 HIS B 128 30.244 -26.060 -15.175 1.00 0.00 N flip ATOM 1055 CD2 HIS B 128 32.023 -24.995 -15.858 1.00 0.00 C flip ATOM 1056 CE1 HIS B 128 31.206 -26.071 -14.195 1.00 0.00 C flip ATOM 1057 NE2 HIS B 128 32.270 -25.422 -14.633 1.00 0.00 N flip ATOM 0 H HIS B 128 29.172 -24.907 -19.825 1.00 0.00 H new ATOM 0 HA HIS B 128 31.163 -26.497 -18.803 1.00 0.00 H new ATOM 0 HB2 HIS B 128 30.720 -24.242 -18.017 1.00 0.00 H new ATOM 0 HB3 HIS B 128 29.137 -24.701 -17.421 1.00 0.00 H new ATOM 0 HD2 HIS B 128 32.709 -24.431 -16.473 1.00 0.00 H new ATOM 0 HE1 HIS B 128 31.109 -26.535 -13.224 1.00 0.00 H new ATOM 0 HE2 HIS B 128 33.135 -25.276 -14.113 1.00 0.00 H new ATOM 1065 N PHE B 129 28.188 -27.583 -17.992 1.00 0.00 N ATOM 1066 CA PHE B 129 27.460 -28.696 -17.392 1.00 0.00 C ATOM 1067 C PHE B 129 27.280 -29.831 -18.395 1.00 0.00 C ATOM 1068 O PHE B 129 27.123 -30.990 -18.014 1.00 0.00 O ATOM 1069 CB PHE B 129 26.095 -28.226 -16.885 1.00 0.00 C ATOM 1070 CG PHE B 129 26.141 -27.627 -15.508 1.00 0.00 C ATOM 1071 CD1 PHE B 129 26.564 -28.378 -14.424 1.00 0.00 C ATOM 1072 CD2 PHE B 129 25.760 -26.311 -15.299 1.00 0.00 C ATOM 1073 CE1 PHE B 129 26.608 -27.830 -13.157 1.00 0.00 C ATOM 1074 CE2 PHE B 129 25.802 -25.757 -14.033 1.00 0.00 C ATOM 1075 CZ PHE B 129 26.225 -26.517 -12.961 1.00 0.00 C ATOM 0 H PHE B 129 27.604 -26.930 -18.514 1.00 0.00 H new ATOM 0 HA PHE B 129 28.044 -29.068 -16.550 1.00 0.00 H new ATOM 0 HB2 PHE B 129 25.692 -27.489 -17.580 1.00 0.00 H new ATOM 0 HB3 PHE B 129 25.407 -29.071 -16.882 1.00 0.00 H new ATOM 0 HD1 PHE B 129 26.863 -29.405 -14.571 1.00 0.00 H new ATOM 0 HD2 PHE B 129 25.427 -25.712 -16.134 1.00 0.00 H new ATOM 0 HE1 PHE B 129 26.941 -28.427 -12.321 1.00 0.00 H new ATOM 0 HE2 PHE B 129 25.504 -24.730 -13.883 1.00 0.00 H new ATOM 0 HZ PHE B 129 26.256 -26.086 -11.971 1.00 0.00 H new ATOM 1085 N GLU B 130 27.303 -29.488 -19.679 1.00 0.00 N ATOM 1086 CA GLU B 130 27.140 -30.478 -20.737 1.00 0.00 C ATOM 1087 C GLU B 130 28.395 -31.335 -20.878 1.00 0.00 C ATOM 1088 O GLU B 130 28.460 -32.226 -21.723 1.00 0.00 O ATOM 1089 CB GLU B 130 26.828 -29.789 -22.067 1.00 0.00 C ATOM 1090 CG GLU B 130 25.342 -29.668 -22.357 1.00 0.00 C ATOM 1091 CD GLU B 130 25.019 -28.505 -23.274 1.00 0.00 C ATOM 1092 OE1 GLU B 130 25.948 -27.988 -23.929 1.00 0.00 O ATOM 1093 OE2 GLU B 130 23.835 -28.111 -23.338 1.00 0.00 O ATOM 0 H GLU B 130 27.433 -28.533 -20.012 1.00 0.00 H new ATOM 0 HA GLU B 130 26.306 -31.126 -20.467 1.00 0.00 H new ATOM 0 HB2 GLU B 130 27.271 -28.793 -22.063 1.00 0.00 H new ATOM 0 HB3 GLU B 130 27.303 -30.346 -22.875 1.00 0.00 H new ATOM 0 HG2 GLU B 130 24.988 -30.593 -22.812 1.00 0.00 H new ATOM 0 HG3 GLU B 130 24.801 -29.547 -21.418 1.00 0.00 H new ATOM 1100 N GLY B 131 29.391 -31.058 -20.041 1.00 0.00 N ATOM 1101 CA GLY B 131 30.630 -31.811 -20.088 1.00 0.00 C ATOM 1102 C GLY B 131 31.847 -30.918 -20.227 1.00 0.00 C ATOM 1103 O GLY B 131 32.702 -31.152 -21.080 1.00 0.00 O ATOM 0 H GLY B 131 29.361 -30.326 -19.332 1.00 0.00 H new ATOM 0 HA2 GLY B 131 30.723 -32.408 -19.181 1.00 0.00 H new ATOM 0 HA3 GLY B 131 30.597 -32.507 -20.926 1.00 0.00 H new ATOM 1107 N TRP B 132 31.923 -29.891 -19.388 1.00 0.00 N ATOM 1108 CA TRP B 132 33.044 -28.958 -19.423 1.00 0.00 C ATOM 1109 C TRP B 132 33.354 -28.428 -18.027 1.00 0.00 C ATOM 1110 O TRP B 132 32.870 -27.366 -17.635 1.00 0.00 O ATOM 1111 CB TRP B 132 32.736 -27.794 -20.367 1.00 0.00 C ATOM 1112 CG TRP B 132 33.311 -27.975 -21.739 1.00 0.00 C ATOM 1113 CD1 TRP B 132 34.510 -27.505 -22.195 1.00 0.00 C ATOM 1114 CD2 TRP B 132 32.711 -28.675 -22.835 1.00 0.00 C ATOM 1115 NE1 TRP B 132 34.690 -27.870 -23.507 1.00 0.00 N ATOM 1116 CE2 TRP B 132 33.601 -28.589 -23.923 1.00 0.00 C ATOM 1117 CE3 TRP B 132 31.508 -29.368 -23.002 1.00 0.00 C ATOM 1118 CZ2 TRP B 132 33.325 -29.169 -25.158 1.00 0.00 C ATOM 1119 CZ3 TRP B 132 31.236 -29.942 -24.229 1.00 0.00 C ATOM 1120 CH2 TRP B 132 32.141 -29.840 -25.294 1.00 0.00 C ATOM 0 H TRP B 132 31.223 -29.683 -18.676 1.00 0.00 H new ATOM 0 HA TRP B 132 33.919 -29.493 -19.791 1.00 0.00 H new ATOM 0 HB2 TRP B 132 31.655 -27.676 -20.446 1.00 0.00 H new ATOM 0 HB3 TRP B 132 33.127 -26.872 -19.936 1.00 0.00 H new ATOM 0 HD1 TRP B 132 35.213 -26.931 -21.610 1.00 0.00 H new ATOM 0 HE1 TRP B 132 35.503 -27.642 -24.079 1.00 0.00 H new ATOM 0 HE3 TRP B 132 30.805 -29.453 -22.187 1.00 0.00 H new ATOM 0 HZ2 TRP B 132 34.021 -29.092 -25.980 1.00 0.00 H new ATOM 0 HZ3 TRP B 132 30.309 -30.479 -24.370 1.00 0.00 H new ATOM 0 HH2 TRP B 132 31.899 -30.300 -26.241 1.00 0.00 H new ATOM 1131 N ARG B 133 34.163 -29.173 -17.282 1.00 0.00 N ATOM 1132 CA ARG B 133 34.537 -28.778 -15.930 1.00 0.00 C ATOM 1133 C ARG B 133 35.963 -28.236 -15.896 1.00 0.00 C ATOM 1134 O ARG B 133 36.716 -28.501 -14.958 1.00 0.00 O ATOM 1135 CB ARG B 133 34.409 -29.965 -14.974 1.00 0.00 C ATOM 1136 CG ARG B 133 33.091 -30.713 -15.105 1.00 0.00 C ATOM 1137 CD ARG B 133 33.109 -32.014 -14.319 1.00 0.00 C ATOM 1138 NE ARG B 133 31.763 -32.464 -13.976 1.00 0.00 N ATOM 1139 CZ ARG B 133 31.506 -33.356 -13.025 1.00 0.00 C ATOM 1140 NH1 ARG B 133 32.499 -33.889 -12.326 1.00 0.00 N ATOM 1141 NH2 ARG B 133 30.254 -33.715 -12.770 1.00 0.00 N ATOM 0 H ARG B 133 34.572 -30.054 -17.592 1.00 0.00 H new ATOM 0 HA ARG B 133 33.858 -27.988 -15.610 1.00 0.00 H new ATOM 0 HB2 ARG B 133 35.230 -30.658 -15.157 1.00 0.00 H new ATOM 0 HB3 ARG B 133 34.515 -29.609 -13.949 1.00 0.00 H new ATOM 0 HG2 ARG B 133 32.276 -30.082 -14.749 1.00 0.00 H new ATOM 0 HG3 ARG B 133 32.894 -30.924 -16.156 1.00 0.00 H new ATOM 0 HD2 ARG B 133 33.611 -32.784 -14.904 1.00 0.00 H new ATOM 0 HD3 ARG B 133 33.690 -31.878 -13.406 1.00 0.00 H new ATOM 0 HE ARG B 133 30.977 -32.072 -14.495 1.00 0.00 H new ATOM 0 HH11 ARG B 133 33.462 -33.614 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG B 133 32.299 -34.573 -11.597 1.00 0.00 H new ATOM 0 HH21 ARG B 133 29.487 -33.306 -13.304 1.00 0.00 H new ATOM 0 HH22 ARG B 133 30.058 -34.400 -12.040 1.00 0.00 H new ATOM 1155 N ILE B 134 36.327 -27.477 -16.925 1.00 0.00 N ATOM 1156 CA ILE B 134 37.662 -26.898 -17.012 1.00 0.00 C ATOM 1157 C ILE B 134 37.831 -25.755 -16.017 1.00 0.00 C ATOM 1158 O ILE B 134 37.730 -24.583 -16.380 1.00 0.00 O ATOM 1159 CB ILE B 134 37.958 -26.378 -18.431 1.00 0.00 C ATOM 1160 CG1 ILE B 134 37.731 -27.486 -19.461 1.00 0.00 C ATOM 1161 CG2 ILE B 134 39.383 -25.853 -18.515 1.00 0.00 C ATOM 1162 CD1 ILE B 134 37.970 -27.042 -20.888 1.00 0.00 C ATOM 0 H ILE B 134 35.716 -27.249 -17.709 1.00 0.00 H new ATOM 0 HA ILE B 134 38.368 -27.693 -16.771 1.00 0.00 H new ATOM 0 HB ILE B 134 37.275 -25.557 -18.652 1.00 0.00 H new ATOM 0 HG12 ILE B 134 38.391 -28.323 -19.234 1.00 0.00 H new ATOM 0 HG13 ILE B 134 36.709 -27.852 -19.369 1.00 0.00 H new ATOM 0 HG21 ILE B 134 39.578 -25.489 -19.524 1.00 0.00 H new ATOM 0 HG22 ILE B 134 39.513 -25.038 -17.803 1.00 0.00 H new ATOM 0 HG23 ILE B 134 40.081 -26.656 -18.278 1.00 0.00 H new ATOM 0 HD11 ILE B 134 37.791 -27.878 -21.564 1.00 0.00 H new ATOM 0 HD12 ILE B 134 37.292 -26.225 -21.133 1.00 0.00 H new ATOM 0 HD13 ILE B 134 39.000 -26.703 -20.996 1.00 0.00 H new TER 1174 ILE B 134