USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 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 3 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.31) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0437) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 22 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -128:sc= -3.03 (180deg=-6.09!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.67) USER MOD Single : A 43 SER OG : rot 83:sc= 0.0293 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -177:sc=-0.00431 (180deg=-0.0212) USER MOD Single : A 47 ASN : amide:sc= 0.138 X(o=0.14,f=0.15) USER MOD Single : A 48 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.5!) USER MOD Single : A 50 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 53 SER OG : rot -140:sc= -0.514 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 135:sc= 1.25 USER MOD Single : A 70 ASN : amide:sc= 0.0165 K(o=0.017,f=-0.62) USER MOD Single : A 72 THR OG1 : rot 74:sc= 0.146 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -153:sc= 0.089 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.915 USER MOD Single : A 94 SER OG : rot 33:sc= 0.0388 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -11.008 9.391 4.969 1.00 0.00 N ATOM 21 CA VAL A 2 -9.616 9.676 4.612 1.00 0.00 C ATOM 22 C VAL A 2 -9.353 9.382 3.135 1.00 0.00 C ATOM 23 O VAL A 2 -10.148 8.711 2.477 1.00 0.00 O ATOM 24 CB VAL A 2 -8.622 8.854 5.463 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.584 9.358 6.897 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.971 7.373 5.418 1.00 0.00 C ATOM 0 HA VAL A 2 -9.460 10.736 4.810 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.627 8.983 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.877 8.762 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.272 10.402 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.576 9.272 7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.259 6.813 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.977 7.224 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.928 7.020 4.388 1.00 0.00 H new ATOM 36 N ASN A 3 -8.226 9.882 2.624 1.00 0.00 N ATOM 37 CA ASN A 3 -7.847 9.669 1.226 1.00 0.00 C ATOM 38 C ASN A 3 -6.332 9.797 1.047 1.00 0.00 C ATOM 39 O ASN A 3 -5.804 10.901 0.900 1.00 0.00 O ATOM 40 CB ASN A 3 -8.581 10.655 0.303 1.00 0.00 C ATOM 41 CG ASN A 3 -8.522 12.092 0.796 1.00 0.00 C ATOM 42 OD1 ASN A 3 -7.695 12.881 0.339 1.00 0.00 O ATOM 43 ND2 ASN A 3 -9.404 12.443 1.727 1.00 0.00 N ATOM 0 H ASN A 3 -7.559 10.438 3.159 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.142 8.657 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.146 10.602 -0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.624 10.351 0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.412 13.397 2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.073 11.759 2.080 1.00 0.00 H new ATOM 50 N VAL A 4 -5.637 8.659 1.066 1.00 0.00 N ATOM 51 CA VAL A 4 -4.182 8.644 0.909 1.00 0.00 C ATOM 52 C VAL A 4 -3.779 8.602 -0.566 1.00 0.00 C ATOM 53 O VAL A 4 -4.529 8.113 -1.414 1.00 0.00 O ATOM 54 CB VAL A 4 -3.535 7.444 1.637 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.747 7.544 3.143 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.077 6.127 1.097 1.00 0.00 C ATOM 0 H VAL A 4 -6.057 7.738 1.188 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.819 9.568 1.358 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.462 7.471 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.283 6.688 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.295 8.464 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.815 7.551 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.607 5.297 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.156 6.089 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.856 6.052 0.032 1.00 0.00 H new ATOM 66 N LYS A 5 -2.583 9.114 -0.859 1.00 0.00 N ATOM 67 CA LYS A 5 -2.061 9.139 -2.223 1.00 0.00 C ATOM 68 C LYS A 5 -0.816 8.260 -2.338 1.00 0.00 C ATOM 69 O LYS A 5 0.252 8.613 -1.834 1.00 0.00 O ATOM 70 CB LYS A 5 -1.727 10.576 -2.632 1.00 0.00 C ATOM 71 CG LYS A 5 -1.448 10.744 -4.118 1.00 0.00 C ATOM 72 CD LYS A 5 -0.266 11.670 -4.364 1.00 0.00 C ATOM 73 CE LYS A 5 -0.541 12.641 -5.503 1.00 0.00 C ATOM 74 NZ LYS A 5 -0.008 14.003 -5.217 1.00 0.00 N ATOM 0 H LYS A 5 -1.955 9.519 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.826 8.747 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.557 11.225 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.856 10.911 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.247 9.770 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.333 11.144 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.046 12.229 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.619 11.077 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.091 12.261 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.615 12.701 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.217 14.633 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.456 14.377 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.021 13.951 -5.077 1.00 0.00 H new ATOM 88 N VAL A 6 -0.963 7.114 -3.003 1.00 0.00 N ATOM 89 CA VAL A 6 0.150 6.183 -3.185 1.00 0.00 C ATOM 90 C VAL A 6 0.582 6.111 -4.648 1.00 0.00 C ATOM 91 O VAL A 6 -0.208 6.392 -5.550 1.00 0.00 O ATOM 92 CB VAL A 6 -0.210 4.763 -2.693 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.462 4.763 -1.192 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.416 4.216 -3.443 1.00 0.00 C ATOM 0 H VAL A 6 -1.841 6.809 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 6 0.976 6.566 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 6 0.638 4.109 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.714 3.754 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.435 5.099 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.288 5.436 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.648 3.216 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.273 4.870 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.192 4.170 -4.509 1.00 0.00 H new ATOM 104 N GLU A 7 1.839 5.731 -4.877 1.00 0.00 N ATOM 105 CA GLU A 7 2.371 5.621 -6.233 1.00 0.00 C ATOM 106 C GLU A 7 2.946 4.230 -6.490 1.00 0.00 C ATOM 107 O GLU A 7 3.382 3.548 -5.561 1.00 0.00 O ATOM 108 CB GLU A 7 3.444 6.685 -6.472 1.00 0.00 C ATOM 109 CG GLU A 7 2.938 7.885 -7.257 1.00 0.00 C ATOM 110 CD GLU A 7 3.718 9.149 -6.957 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.777 9.356 -7.586 1.00 0.00 O ATOM 112 OE2 GLU A 7 3.270 9.932 -6.092 1.00 0.00 O ATOM 0 H GLU A 7 2.506 5.495 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 7 1.548 5.783 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.829 7.025 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.279 6.235 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.000 7.669 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.886 8.048 -7.025 1.00 0.00 H new ATOM 119 N PHE A 8 2.937 3.812 -7.756 1.00 0.00 N ATOM 120 CA PHE A 8 3.452 2.499 -8.132 1.00 0.00 C ATOM 121 C PHE A 8 4.449 2.602 -9.278 1.00 0.00 C ATOM 122 O PHE A 8 4.092 2.976 -10.397 1.00 0.00 O ATOM 123 CB PHE A 8 2.301 1.566 -8.513 1.00 0.00 C ATOM 124 CG PHE A 8 1.384 1.261 -7.363 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.871 0.645 -6.222 1.00 0.00 C ATOM 126 CD2 PHE A 8 0.041 1.597 -7.419 1.00 0.00 C ATOM 127 CE1 PHE A 8 1.036 0.369 -5.158 1.00 0.00 C ATOM 128 CE2 PHE A 8 -0.799 1.323 -6.357 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.300 0.708 -5.225 1.00 0.00 C ATOM 0 H PHE A 8 2.579 4.364 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 8 3.974 2.085 -7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.725 2.020 -9.319 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.710 0.633 -8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.916 0.378 -6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.353 2.078 -8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.428 -0.112 -4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.844 1.589 -6.412 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.955 0.493 -4.393 1.00 0.00 H new ATOM 139 N LEU A 9 5.705 2.268 -8.982 1.00 0.00 N ATOM 140 CA LEU A 9 6.775 2.319 -9.974 1.00 0.00 C ATOM 141 C LEU A 9 7.539 0.998 -10.012 1.00 0.00 C ATOM 142 O LEU A 9 8.289 0.678 -9.088 1.00 0.00 O ATOM 143 CB LEU A 9 7.736 3.471 -9.657 1.00 0.00 C ATOM 144 CG LEU A 9 7.345 4.834 -10.236 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.982 5.271 -9.718 1.00 0.00 C ATOM 146 CD2 LEU A 9 8.399 5.874 -9.896 1.00 0.00 C ATOM 0 H LEU A 9 6.006 1.958 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 9 6.327 2.488 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.817 3.566 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.726 3.208 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 9 7.283 4.740 -11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.725 6.242 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.230 4.537 -10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.013 5.347 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.108 6.838 -10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.489 5.960 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.358 5.571 -10.317 1.00 0.00 H new ATOM 158 N GLY A 10 7.346 0.234 -11.085 1.00 0.00 N ATOM 159 CA GLY A 10 8.025 -1.042 -11.221 1.00 0.00 C ATOM 160 C GLY A 10 7.116 -2.129 -11.757 1.00 0.00 C ATOM 161 O GLY A 10 6.854 -2.186 -12.959 1.00 0.00 O ATOM 0 H GLY A 10 6.731 0.477 -11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.879 -0.926 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.417 -1.347 -10.251 1.00 0.00 H new ATOM 165 N GLY A 11 6.636 -2.992 -10.862 1.00 0.00 N ATOM 166 CA GLY A 11 5.754 -4.076 -11.266 1.00 0.00 C ATOM 167 C GLY A 11 4.480 -4.149 -10.438 1.00 0.00 C ATOM 168 O GLY A 11 3.903 -5.226 -10.279 1.00 0.00 O ATOM 0 H GLY A 11 6.843 -2.959 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.491 -3.950 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.289 -5.022 -11.183 1.00 0.00 H new ATOM 172 N LEU A 12 4.037 -3.004 -9.916 1.00 0.00 N ATOM 173 CA LEU A 12 2.819 -2.946 -9.108 1.00 0.00 C ATOM 174 C LEU A 12 1.679 -2.294 -9.889 1.00 0.00 C ATOM 175 O LEU A 12 0.553 -2.795 -9.892 1.00 0.00 O ATOM 176 CB LEU A 12 3.075 -2.174 -7.810 1.00 0.00 C ATOM 177 CG LEU A 12 2.930 -3.000 -6.531 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.499 -2.243 -5.340 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.468 -3.358 -6.296 1.00 0.00 C ATOM 0 H LEU A 12 4.503 -2.105 -10.039 1.00 0.00 H new ATOM 0 HA LEU A 12 2.528 -3.967 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.082 -1.758 -7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.384 -1.333 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 12 3.496 -3.925 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.387 -2.846 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.556 -2.038 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.962 -1.303 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.380 -3.946 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.881 -2.445 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.096 -3.940 -7.139 1.00 0.00 H new ATOM 191 N ASP A 13 1.982 -1.178 -10.555 1.00 0.00 N ATOM 192 CA ASP A 13 0.992 -0.453 -11.354 1.00 0.00 C ATOM 193 C ASP A 13 0.416 -1.341 -12.457 1.00 0.00 C ATOM 194 O ASP A 13 -0.757 -1.216 -12.814 1.00 0.00 O ATOM 195 CB ASP A 13 1.617 0.801 -11.978 1.00 0.00 C ATOM 196 CG ASP A 13 2.901 0.503 -12.732 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.965 0.406 -12.080 1.00 0.00 O ATOM 198 OD2 ASP A 13 2.842 0.357 -13.971 1.00 0.00 O ATOM 0 H ASP A 13 2.910 -0.755 -10.556 1.00 0.00 H new ATOM 0 HA ASP A 13 0.183 -0.157 -10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.899 1.260 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.822 1.529 -11.193 1.00 0.00 H new ATOM 203 N ALA A 14 1.249 -2.239 -12.991 1.00 0.00 N ATOM 204 CA ALA A 14 0.822 -3.150 -14.052 1.00 0.00 C ATOM 205 C ALA A 14 -0.266 -4.097 -13.555 1.00 0.00 C ATOM 206 O ALA A 14 -1.195 -4.429 -14.291 1.00 0.00 O ATOM 207 CB ALA A 14 2.010 -3.943 -14.585 1.00 0.00 C ATOM 0 H ALA A 14 2.221 -2.353 -12.705 1.00 0.00 H new ATOM 0 HA ALA A 14 0.408 -2.551 -14.863 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.674 -4.616 -15.374 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.755 -3.256 -14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.452 -4.525 -13.776 1.00 0.00 H new ATOM 213 N ILE A 15 -0.142 -4.525 -12.299 1.00 0.00 N ATOM 214 CA ILE A 15 -1.112 -5.432 -11.695 1.00 0.00 C ATOM 215 C ILE A 15 -2.434 -4.717 -11.408 1.00 0.00 C ATOM 216 O ILE A 15 -3.508 -5.272 -11.638 1.00 0.00 O ATOM 217 CB ILE A 15 -0.575 -6.046 -10.384 1.00 0.00 C ATOM 218 CG1 ILE A 15 0.828 -6.626 -10.593 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.525 -7.120 -9.873 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.428 -7.240 -9.344 1.00 0.00 C ATOM 0 H ILE A 15 0.623 -4.256 -11.680 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.284 -6.232 -12.415 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.510 -5.256 -9.636 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.785 -7.384 -11.375 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.488 -5.836 -10.951 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.132 -7.543 -8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.504 -6.680 -9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.620 -7.907 -10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.421 -7.629 -9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.505 -6.480 -8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.791 -8.053 -8.996 1.00 0.00 H new ATOM 232 N PHE A 16 -2.348 -3.485 -10.901 1.00 0.00 N ATOM 233 CA PHE A 16 -3.541 -2.703 -10.580 1.00 0.00 C ATOM 234 C PHE A 16 -4.317 -2.332 -11.846 1.00 0.00 C ATOM 235 O PHE A 16 -5.399 -2.866 -12.097 1.00 0.00 O ATOM 236 CB PHE A 16 -3.158 -1.435 -9.809 1.00 0.00 C ATOM 237 CG PHE A 16 -3.127 -1.620 -8.317 1.00 0.00 C ATOM 238 CD1 PHE A 16 -4.305 -1.737 -7.595 1.00 0.00 C ATOM 239 CD2 PHE A 16 -1.921 -1.674 -7.637 1.00 0.00 C ATOM 240 CE1 PHE A 16 -4.279 -1.906 -6.224 1.00 0.00 C ATOM 241 CE2 PHE A 16 -1.890 -1.843 -6.265 1.00 0.00 C ATOM 242 CZ PHE A 16 -3.070 -1.958 -5.559 1.00 0.00 C ATOM 0 H PHE A 16 -1.467 -3.010 -10.705 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.185 -3.320 -9.953 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.177 -1.099 -10.145 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.867 -0.644 -10.053 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.253 -1.696 -8.110 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.995 -1.583 -8.185 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.203 -1.997 -5.673 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.943 -1.885 -5.747 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.048 -2.089 -4.487 1.00 0.00 H new ATOM 252 N GLY A 17 -3.759 -1.413 -12.636 1.00 0.00 N ATOM 253 CA GLY A 17 -4.412 -0.983 -13.865 1.00 0.00 C ATOM 254 C GLY A 17 -3.665 0.143 -14.561 1.00 0.00 C ATOM 255 O GLY A 17 -4.276 1.103 -15.033 1.00 0.00 O ATOM 0 H GLY A 17 -2.866 -0.959 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.496 -1.832 -14.543 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.426 -0.655 -13.638 1.00 0.00 H new ATOM 259 N LYS A 18 -2.338 0.019 -14.624 1.00 0.00 N ATOM 260 CA LYS A 18 -1.483 1.021 -15.262 1.00 0.00 C ATOM 261 C LYS A 18 -1.719 2.418 -14.675 1.00 0.00 C ATOM 262 O LYS A 18 -1.629 3.422 -15.385 1.00 0.00 O ATOM 263 CB LYS A 18 -1.714 1.029 -16.777 1.00 0.00 C ATOM 264 CG LYS A 18 -0.987 -0.093 -17.505 1.00 0.00 C ATOM 265 CD LYS A 18 -1.796 -0.619 -18.679 1.00 0.00 C ATOM 266 CE LYS A 18 -2.747 -1.729 -18.253 1.00 0.00 C ATOM 267 NZ LYS A 18 -4.159 -1.257 -18.160 1.00 0.00 N ATOM 0 H LYS A 18 -1.828 -0.775 -14.236 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.446 0.751 -15.064 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.783 0.948 -16.975 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.387 1.987 -17.182 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.023 0.269 -17.861 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.784 -0.907 -16.809 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.365 0.197 -19.124 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.121 -0.993 -19.448 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.687 -2.551 -18.967 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.433 -2.123 -17.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.787 -2.070 -18.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.250 -0.589 -17.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.425 -0.782 -19.046 1.00 0.00 H new ATOM 281 N GLN A 19 -2.009 2.476 -13.373 1.00 0.00 N ATOM 282 CA GLN A 19 -2.243 3.747 -12.692 1.00 0.00 C ATOM 283 C GLN A 19 -1.099 4.056 -11.732 1.00 0.00 C ATOM 284 O GLN A 19 -0.920 3.363 -10.728 1.00 0.00 O ATOM 285 CB GLN A 19 -3.574 3.713 -11.930 1.00 0.00 C ATOM 286 CG GLN A 19 -4.680 4.516 -12.599 1.00 0.00 C ATOM 287 CD GLN A 19 -5.697 3.637 -13.306 1.00 0.00 C ATOM 288 OE1 GLN A 19 -6.394 2.843 -12.673 1.00 0.00 O ATOM 289 NE2 GLN A 19 -5.787 3.773 -14.625 1.00 0.00 N ATOM 0 H GLN A 19 -2.087 1.656 -12.771 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.292 4.534 -13.445 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.899 2.677 -11.829 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.416 4.097 -10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.188 5.122 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.239 5.205 -13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.190 4.443 -15.110 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.453 3.207 -15.152 1.00 0.00 H new ATOM 298 N ARG A 20 -0.324 5.097 -12.048 1.00 0.00 N ATOM 299 CA ARG A 20 0.808 5.496 -11.210 1.00 0.00 C ATOM 300 C ARG A 20 0.338 5.894 -9.813 1.00 0.00 C ATOM 301 O ARG A 20 0.637 5.210 -8.833 1.00 0.00 O ATOM 302 CB ARG A 20 1.572 6.657 -11.854 1.00 0.00 C ATOM 303 CG ARG A 20 2.546 6.222 -12.937 1.00 0.00 C ATOM 304 CD ARG A 20 2.586 7.216 -14.087 1.00 0.00 C ATOM 305 NE ARG A 20 3.212 8.481 -13.702 1.00 0.00 N ATOM 306 CZ ARG A 20 3.666 9.386 -14.574 1.00 0.00 C ATOM 307 NH1 ARG A 20 3.563 9.173 -15.884 1.00 0.00 N ATOM 308 NH2 ARG A 20 4.223 10.509 -14.135 1.00 0.00 N ATOM 0 H ARG A 20 -0.460 5.677 -12.876 1.00 0.00 H new ATOM 0 HA ARG A 20 1.476 4.640 -11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.856 7.358 -12.282 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.120 7.194 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.543 6.119 -12.510 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.258 5.241 -13.314 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.134 6.781 -14.922 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.571 7.406 -14.436 1.00 0.00 H new ATOM 0 HE ARG A 20 3.308 8.685 -12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.135 8.314 -16.229 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.912 9.869 -16.543 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.304 10.680 -13.133 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.570 11.200 -14.800 1.00 0.00 H new ATOM 322 N VAL A 21 -0.403 7.000 -9.730 1.00 0.00 N ATOM 323 CA VAL A 21 -0.918 7.487 -8.453 1.00 0.00 C ATOM 324 C VAL A 21 -2.302 6.907 -8.164 1.00 0.00 C ATOM 325 O VAL A 21 -3.253 7.145 -8.910 1.00 0.00 O ATOM 326 CB VAL A 21 -1.000 9.030 -8.425 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.405 9.524 -7.044 1.00 0.00 C ATOM 328 CG2 VAL A 21 0.324 9.651 -8.850 1.00 0.00 C ATOM 0 H VAL A 21 -0.659 7.574 -10.533 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.219 7.158 -7.684 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.765 9.340 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.456 10.613 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.381 9.116 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.668 9.198 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.242 10.738 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.112 9.329 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.567 9.331 -9.863 1.00 0.00 H new ATOM 338 N HIS A 22 -2.404 6.144 -7.076 1.00 0.00 N ATOM 339 CA HIS A 22 -3.667 5.525 -6.683 1.00 0.00 C ATOM 340 C HIS A 22 -4.170 6.097 -5.355 1.00 0.00 C ATOM 341 O HIS A 22 -3.377 6.481 -4.493 1.00 0.00 O ATOM 342 CB HIS A 22 -3.496 4.005 -6.572 1.00 0.00 C ATOM 343 CG HIS A 22 -4.499 3.224 -7.369 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.169 2.105 -8.108 1.00 0.00 N ATOM 345 CD2 HIS A 22 -5.832 3.401 -7.535 1.00 0.00 C ATOM 346 CE1 HIS A 22 -5.255 1.631 -8.694 1.00 0.00 C ATOM 347 NE2 HIS A 22 -6.276 2.398 -8.362 1.00 0.00 N ATOM 0 H HIS A 22 -1.624 5.940 -6.451 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.408 5.747 -7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.493 3.736 -6.904 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.573 3.715 -5.524 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.433 4.185 -7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.299 0.763 -9.336 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.240 2.267 -8.670 1.00 0.00 H new ATOM 356 N LYS A 23 -5.495 6.154 -5.201 1.00 0.00 N ATOM 357 CA LYS A 23 -6.112 6.679 -3.983 1.00 0.00 C ATOM 358 C LYS A 23 -6.899 5.593 -3.251 1.00 0.00 C ATOM 359 O LYS A 23 -7.609 4.803 -3.876 1.00 0.00 O ATOM 360 CB LYS A 23 -7.036 7.853 -4.319 1.00 0.00 C ATOM 361 CG LYS A 23 -6.344 9.205 -4.272 1.00 0.00 C ATOM 362 CD LYS A 23 -7.192 10.288 -4.922 1.00 0.00 C ATOM 363 CE LYS A 23 -6.989 11.639 -4.250 1.00 0.00 C ATOM 364 NZ LYS A 23 -5.594 12.145 -4.407 1.00 0.00 N ATOM 0 H LYS A 23 -6.162 5.842 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.314 7.026 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.454 7.702 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.872 7.858 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.139 9.474 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.382 9.140 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.937 10.365 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.244 10.009 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.685 12.362 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.225 11.554 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.504 13.067 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.929 11.469 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.375 12.252 -5.418 1.00 0.00 H new ATOM 378 N ILE A 24 -6.767 5.561 -1.924 1.00 0.00 N ATOM 379 CA ILE A 24 -7.465 4.574 -1.102 1.00 0.00 C ATOM 380 C ILE A 24 -8.106 5.231 0.122 1.00 0.00 C ATOM 381 O ILE A 24 -7.515 6.117 0.743 1.00 0.00 O ATOM 382 CB ILE A 24 -6.512 3.449 -0.635 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.692 2.911 -1.814 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.295 2.321 0.026 1.00 0.00 C ATOM 385 CD1 ILE A 24 -4.327 3.551 -1.946 1.00 0.00 C ATOM 0 H ILE A 24 -6.182 6.209 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.245 4.138 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.825 3.869 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.569 1.834 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.250 3.071 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.606 1.540 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.832 2.709 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.007 1.906 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.805 3.121 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.441 4.625 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.750 3.368 -1.039 1.00 0.00 H new ATOM 397 N LYS A 25 -9.320 4.791 0.458 1.00 0.00 N ATOM 398 CA LYS A 25 -10.051 5.332 1.602 1.00 0.00 C ATOM 399 C LYS A 25 -10.704 4.214 2.418 1.00 0.00 C ATOM 400 O LYS A 25 -11.483 3.421 1.886 1.00 0.00 O ATOM 401 CB LYS A 25 -11.114 6.329 1.125 1.00 0.00 C ATOM 402 CG LYS A 25 -12.041 5.779 0.048 1.00 0.00 C ATOM 403 CD LYS A 25 -11.517 6.077 -1.349 1.00 0.00 C ATOM 404 CE LYS A 25 -12.242 7.257 -1.979 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.312 8.145 -2.732 1.00 0.00 N ATOM 0 H LYS A 25 -9.818 4.059 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.340 5.849 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.713 6.642 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.616 7.219 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.148 4.702 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.034 6.214 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.449 6.289 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.638 5.196 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.017 6.889 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.743 7.833 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.846 8.936 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.587 8.517 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.853 7.603 -3.492 1.00 0.00 H new ATOM 419 N MET A 26 -10.379 4.154 3.713 1.00 0.00 N ATOM 420 CA MET A 26 -10.934 3.129 4.603 1.00 0.00 C ATOM 421 C MET A 26 -12.375 3.449 4.999 1.00 0.00 C ATOM 422 O MET A 26 -13.209 2.549 5.104 1.00 0.00 O ATOM 423 CB MET A 26 -10.069 2.980 5.862 1.00 0.00 C ATOM 424 CG MET A 26 -9.297 1.670 5.926 1.00 0.00 C ATOM 425 SD MET A 26 -10.364 0.221 5.778 1.00 0.00 S ATOM 426 CE MET A 26 -9.256 -1.080 6.317 1.00 0.00 C ATOM 0 H MET A 26 -9.736 4.802 4.168 1.00 0.00 H new ATOM 0 HA MET A 26 -10.933 2.187 4.054 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.363 3.809 5.907 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.708 3.058 6.742 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.555 1.652 5.128 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.753 1.620 6.869 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.240 -1.876 5.573 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.251 -0.676 6.437 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.602 -1.481 7.270 1.00 0.00 H new ATOM 436 N ASP A 27 -12.659 4.733 5.225 1.00 0.00 N ATOM 437 CA ASP A 27 -14.000 5.172 5.616 1.00 0.00 C ATOM 438 C ASP A 27 -14.472 4.444 6.880 1.00 0.00 C ATOM 439 O ASP A 27 -15.620 4.004 6.966 1.00 0.00 O ATOM 440 CB ASP A 27 -14.989 4.944 4.465 1.00 0.00 C ATOM 441 CG ASP A 27 -15.012 6.102 3.485 1.00 0.00 C ATOM 442 OD1 ASP A 27 -13.992 6.319 2.797 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.049 6.794 3.409 1.00 0.00 O ATOM 0 H ASP A 27 -11.978 5.488 5.144 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.958 6.238 5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.722 4.029 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.989 4.796 4.873 1.00 0.00 H new ATOM 448 N LYS A 28 -13.571 4.321 7.859 1.00 0.00 N ATOM 449 CA LYS A 28 -13.885 3.649 9.118 1.00 0.00 C ATOM 450 C LYS A 28 -13.786 4.618 10.295 1.00 0.00 C ATOM 451 O LYS A 28 -14.803 5.044 10.844 1.00 0.00 O ATOM 452 CB LYS A 28 -12.950 2.453 9.332 1.00 0.00 C ATOM 453 CG LYS A 28 -13.575 1.115 8.968 1.00 0.00 C ATOM 454 CD LYS A 28 -14.381 0.536 10.122 1.00 0.00 C ATOM 455 CE LYS A 28 -15.869 0.820 9.969 1.00 0.00 C ATOM 456 NZ LYS A 28 -16.528 1.082 11.279 1.00 0.00 N ATOM 0 H LYS A 28 -12.618 4.679 7.801 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.911 3.287 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.049 2.597 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.641 2.427 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.222 1.240 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.791 0.413 8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.220 -0.541 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.025 0.958 11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.008 1.681 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.352 -0.029 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.539 1.270 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.419 0.251 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.086 1.908 11.731 1.00 0.00 H new ATOM 470 N GLU A 29 -12.556 4.958 10.673 1.00 0.00 N ATOM 471 CA GLU A 29 -12.310 5.878 11.785 1.00 0.00 C ATOM 472 C GLU A 29 -11.264 6.928 11.406 1.00 0.00 C ATOM 473 O GLU A 29 -10.823 6.989 10.257 1.00 0.00 O ATOM 474 CB GLU A 29 -11.850 5.100 13.025 1.00 0.00 C ATOM 475 CG GLU A 29 -10.684 4.157 12.762 1.00 0.00 C ATOM 476 CD GLU A 29 -10.961 2.743 13.230 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.794 2.059 12.596 1.00 0.00 O ATOM 478 OE2 GLU A 29 -10.350 2.320 14.233 1.00 0.00 O ATOM 0 H GLU A 29 -11.709 4.609 10.224 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.244 6.392 12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.563 5.809 13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.690 4.524 13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.464 4.146 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.795 4.535 13.267 1.00 0.00 H new ATOM 485 N ASP A 30 -10.869 7.751 12.377 1.00 0.00 N ATOM 486 CA ASP A 30 -9.872 8.792 12.138 1.00 0.00 C ATOM 487 C ASP A 30 -8.452 8.230 12.245 1.00 0.00 C ATOM 488 O ASP A 30 -7.688 8.292 11.281 1.00 0.00 O ATOM 489 CB ASP A 30 -10.060 9.957 13.115 1.00 0.00 C ATOM 490 CG ASP A 30 -10.889 11.079 12.522 1.00 0.00 C ATOM 491 OD1 ASP A 30 -12.132 10.956 12.506 1.00 0.00 O ATOM 492 OD2 ASP A 30 -10.296 12.082 12.071 1.00 0.00 O ATOM 0 H ASP A 30 -11.223 7.717 13.333 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.015 9.164 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.542 9.593 14.022 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.084 10.345 13.406 1.00 0.00 H new ATOM 497 N PRO A 31 -8.072 7.670 13.415 1.00 0.00 N ATOM 498 CA PRO A 31 -6.734 7.103 13.615 1.00 0.00 C ATOM 499 C PRO A 31 -6.582 5.717 12.981 1.00 0.00 C ATOM 500 O PRO A 31 -6.257 4.742 13.663 1.00 0.00 O ATOM 501 CB PRO A 31 -6.624 7.019 15.138 1.00 0.00 C ATOM 502 CG PRO A 31 -8.024 6.804 15.600 1.00 0.00 C ATOM 503 CD PRO A 31 -8.908 7.545 14.630 1.00 0.00 C ATOM 0 HA PRO A 31 -5.955 7.705 13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.974 6.199 15.445 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.203 7.933 15.557 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.269 5.742 15.616 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.160 7.178 16.615 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.828 6.996 14.428 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.198 8.521 15.018 1.00 0.00 H new ATOM 511 N VAL A 32 -6.813 5.638 11.671 1.00 0.00 N ATOM 512 CA VAL A 32 -6.697 4.375 10.946 1.00 0.00 C ATOM 513 C VAL A 32 -5.231 4.007 10.748 1.00 0.00 C ATOM 514 O VAL A 32 -4.480 4.747 10.112 1.00 0.00 O ATOM 515 CB VAL A 32 -7.390 4.439 9.568 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.423 3.061 8.923 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.797 5.009 9.695 1.00 0.00 C ATOM 0 H VAL A 32 -7.081 6.433 11.091 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.193 3.614 11.548 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.813 5.105 8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.915 3.125 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.404 2.697 8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.973 2.372 9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.265 5.044 8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.388 4.375 10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.746 6.016 10.109 1.00 0.00 H new ATOM 527 N THR A 33 -4.825 2.864 11.298 1.00 0.00 N ATOM 528 CA THR A 33 -3.442 2.411 11.177 1.00 0.00 C ATOM 529 C THR A 33 -3.106 2.076 9.728 1.00 0.00 C ATOM 530 O THR A 33 -3.963 1.617 8.972 1.00 0.00 O ATOM 531 CB THR A 33 -3.190 1.192 12.073 1.00 0.00 C ATOM 532 OG1 THR A 33 -4.135 0.165 11.816 1.00 0.00 O ATOM 533 CG2 THR A 33 -3.254 1.515 13.552 1.00 0.00 C ATOM 0 H THR A 33 -5.431 2.238 11.829 1.00 0.00 H new ATOM 0 HA THR A 33 -2.793 3.224 11.504 1.00 0.00 H new ATOM 0 HB THR A 33 -2.180 0.863 11.829 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.952 -0.601 12.399 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.067 0.610 14.130 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.499 2.263 13.794 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.242 1.905 13.797 1.00 0.00 H new ATOM 541 N VAL A 34 -1.853 2.312 9.347 1.00 0.00 N ATOM 542 CA VAL A 34 -1.395 2.039 7.986 1.00 0.00 C ATOM 543 C VAL A 34 -1.701 0.599 7.568 1.00 0.00 C ATOM 544 O VAL A 34 -2.017 0.340 6.403 1.00 0.00 O ATOM 545 CB VAL A 34 0.112 2.315 7.840 1.00 0.00 C ATOM 546 CG1 VAL A 34 0.929 1.343 8.673 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.532 2.267 6.377 1.00 0.00 C ATOM 0 H VAL A 34 -1.135 2.693 9.963 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.941 2.713 7.326 1.00 0.00 H new ATOM 0 HB VAL A 34 0.307 3.320 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.990 1.561 8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.656 1.445 9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.728 0.324 8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.601 2.465 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.315 1.280 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.019 3.021 5.815 1.00 0.00 H new ATOM 557 N GLY A 35 -1.626 -0.329 8.527 1.00 0.00 N ATOM 558 CA GLY A 35 -1.922 -1.721 8.240 1.00 0.00 C ATOM 559 C GLY A 35 -3.325 -1.905 7.684 1.00 0.00 C ATOM 560 O GLY A 35 -3.582 -2.851 6.938 1.00 0.00 O ATOM 0 H GLY A 35 -1.366 -0.138 9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.196 -2.105 7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.814 -2.309 9.151 1.00 0.00 H new ATOM 564 N ASP A 36 -4.229 -0.984 8.038 1.00 0.00 N ATOM 565 CA ASP A 36 -5.609 -1.037 7.561 1.00 0.00 C ATOM 566 C ASP A 36 -5.685 -0.636 6.090 1.00 0.00 C ATOM 567 O ASP A 36 -6.392 -1.265 5.304 1.00 0.00 O ATOM 568 CB ASP A 36 -6.512 -0.125 8.403 1.00 0.00 C ATOM 569 CG ASP A 36 -7.437 -0.902 9.326 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.829 -2.035 8.969 1.00 0.00 O ATOM 571 OD2 ASP A 36 -7.770 -0.374 10.406 1.00 0.00 O ATOM 0 H ASP A 36 -4.027 -0.195 8.652 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.961 -2.063 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.891 0.545 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.109 0.500 7.739 1.00 0.00 H new ATOM 576 N LEU A 37 -4.938 0.407 5.723 1.00 0.00 N ATOM 577 CA LEU A 37 -4.904 0.886 4.342 1.00 0.00 C ATOM 578 C LEU A 37 -4.549 -0.258 3.396 1.00 0.00 C ATOM 579 O LEU A 37 -5.271 -0.525 2.434 1.00 0.00 O ATOM 580 CB LEU A 37 -3.883 2.022 4.198 1.00 0.00 C ATOM 581 CG LEU A 37 -4.139 3.003 3.048 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.063 2.294 1.703 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.489 3.688 3.220 1.00 0.00 C ATOM 0 H LEU A 37 -4.348 0.936 6.365 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.892 1.266 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.858 2.584 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.895 1.583 4.063 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.361 3.766 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.248 3.011 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.072 1.858 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.814 1.505 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.653 4.381 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.280 2.938 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.501 4.237 4.162 1.00 0.00 H new ATOM 595 N ILE A 38 -3.439 -0.940 3.687 1.00 0.00 N ATOM 596 CA ILE A 38 -2.998 -2.066 2.867 1.00 0.00 C ATOM 597 C ILE A 38 -4.040 -3.185 2.894 1.00 0.00 C ATOM 598 O ILE A 38 -4.316 -3.812 1.869 1.00 0.00 O ATOM 599 CB ILE A 38 -1.631 -2.624 3.333 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.595 -1.496 3.444 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.139 -3.700 2.372 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.524 -1.791 4.420 1.00 0.00 C ATOM 0 H ILE A 38 -2.833 -0.732 4.481 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.882 -1.694 1.849 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.762 -3.070 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.167 -1.310 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.100 -0.580 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.177 -4.081 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.861 -4.515 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.026 -3.274 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.216 -0.950 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.107 -1.947 5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.055 -2.689 4.104 1.00 0.00 H new ATOM 614 N ASP A 39 -4.622 -3.423 4.073 1.00 0.00 N ATOM 615 CA ASP A 39 -5.640 -4.458 4.234 1.00 0.00 C ATOM 616 C ASP A 39 -6.862 -4.164 3.368 1.00 0.00 C ATOM 617 O ASP A 39 -7.408 -5.064 2.735 1.00 0.00 O ATOM 618 CB ASP A 39 -6.060 -4.581 5.701 1.00 0.00 C ATOM 619 CG ASP A 39 -6.600 -5.960 6.035 1.00 0.00 C ATOM 620 OD1 ASP A 39 -5.847 -6.945 5.886 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.777 -6.053 6.445 1.00 0.00 O ATOM 0 H ASP A 39 -4.404 -2.912 4.928 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.205 -5.404 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.204 -4.364 6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.821 -3.833 5.922 1.00 0.00 H new ATOM 626 N HIS A 40 -7.286 -2.900 3.342 1.00 0.00 N ATOM 627 CA HIS A 40 -8.445 -2.491 2.548 1.00 0.00 C ATOM 628 C HIS A 40 -8.232 -2.806 1.067 1.00 0.00 C ATOM 629 O HIS A 40 -9.137 -3.303 0.395 1.00 0.00 O ATOM 630 CB HIS A 40 -8.716 -0.994 2.732 1.00 0.00 C ATOM 631 CG HIS A 40 -9.951 -0.500 2.031 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.029 -1.308 1.728 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.276 0.736 1.585 1.00 0.00 C ATOM 634 CE1 HIS A 40 -11.961 -0.588 1.128 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.530 0.657 1.030 1.00 0.00 N ATOM 0 H HIS A 40 -6.844 -2.142 3.862 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.310 -3.054 2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.807 -0.781 3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.856 -0.433 2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.662 1.622 1.653 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.914 -0.955 0.777 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.044 1.432 0.611 1.00 0.00 H new ATOM 644 N ILE A 41 -7.029 -2.517 0.568 1.00 0.00 N ATOM 645 CA ILE A 41 -6.696 -2.773 -0.831 1.00 0.00 C ATOM 646 C ILE A 41 -6.721 -4.272 -1.139 1.00 0.00 C ATOM 647 O ILE A 41 -7.051 -4.676 -2.254 1.00 0.00 O ATOM 648 CB ILE A 41 -5.308 -2.205 -1.204 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.197 -0.732 -0.796 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.053 -2.362 -2.697 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.775 -0.277 -0.541 1.00 0.00 C ATOM 0 H ILE A 41 -6.271 -2.106 1.113 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.454 -2.267 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.551 -2.769 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.632 -0.113 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.789 -0.568 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.071 -1.957 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.087 -3.419 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.818 -1.823 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.775 0.775 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.342 -0.870 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.183 -0.408 -1.447 1.00 0.00 H new ATOM 663 N VAL A 42 -6.369 -5.091 -0.149 1.00 0.00 N ATOM 664 CA VAL A 42 -6.349 -6.543 -0.322 1.00 0.00 C ATOM 665 C VAL A 42 -7.636 -7.205 0.200 1.00 0.00 C ATOM 666 O VAL A 42 -7.806 -8.419 0.077 1.00 0.00 O ATOM 667 CB VAL A 42 -5.131 -7.168 0.393 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.005 -8.648 0.056 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.852 -6.425 0.027 1.00 0.00 C ATOM 0 H VAL A 42 -6.094 -4.774 0.781 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.277 -6.727 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.286 -7.076 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.140 -9.066 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.906 -9.172 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.879 -8.767 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.006 -6.881 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.695 -6.480 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.939 -5.381 0.328 1.00 0.00 H new ATOM 679 N SER A 43 -8.535 -6.410 0.787 1.00 0.00 N ATOM 680 CA SER A 43 -9.787 -6.937 1.326 1.00 0.00 C ATOM 681 C SER A 43 -10.914 -6.857 0.296 1.00 0.00 C ATOM 682 O SER A 43 -11.301 -7.871 -0.288 1.00 0.00 O ATOM 683 CB SER A 43 -10.179 -6.183 2.603 1.00 0.00 C ATOM 684 OG SER A 43 -9.662 -6.828 3.755 1.00 0.00 O ATOM 0 H SER A 43 -8.418 -5.403 0.900 1.00 0.00 H new ATOM 0 HA SER A 43 -9.629 -7.988 1.570 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.804 -5.161 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.265 -6.121 2.674 1.00 0.00 H new ATOM 0 HG SER A 43 -8.733 -6.550 3.896 1.00 0.00 H new ATOM 690 N THR A 44 -11.443 -5.652 0.080 1.00 0.00 N ATOM 691 CA THR A 44 -12.533 -5.454 -0.878 1.00 0.00 C ATOM 692 C THR A 44 -11.997 -5.036 -2.245 1.00 0.00 C ATOM 693 O THR A 44 -12.456 -5.532 -3.275 1.00 0.00 O ATOM 694 CB THR A 44 -13.523 -4.406 -0.362 1.00 0.00 C ATOM 695 OG1 THR A 44 -13.671 -4.502 1.045 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.900 -4.534 -0.978 1.00 0.00 C ATOM 0 H THR A 44 -11.137 -4.802 0.553 1.00 0.00 H new ATOM 0 HA THR A 44 -13.052 -6.406 -0.989 1.00 0.00 H new ATOM 0 HB THR A 44 -13.100 -3.443 -0.648 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.306 -3.823 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.554 -3.763 -0.571 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.828 -4.415 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.311 -5.517 -0.748 1.00 0.00 H new ATOM 704 N MET A 45 -11.023 -4.124 -2.249 1.00 0.00 N ATOM 705 CA MET A 45 -10.421 -3.644 -3.492 1.00 0.00 C ATOM 706 C MET A 45 -9.895 -4.811 -4.333 1.00 0.00 C ATOM 707 O MET A 45 -10.012 -4.800 -5.559 1.00 0.00 O ATOM 708 CB MET A 45 -9.289 -2.655 -3.191 1.00 0.00 C ATOM 709 CG MET A 45 -9.246 -1.464 -4.137 1.00 0.00 C ATOM 710 SD MET A 45 -8.383 -1.830 -5.678 1.00 0.00 S ATOM 711 CE MET A 45 -7.344 -0.381 -5.844 1.00 0.00 C ATOM 0 H MET A 45 -10.635 -3.704 -1.405 1.00 0.00 H new ATOM 0 HA MET A 45 -11.193 -3.131 -4.065 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.399 -2.292 -2.169 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.336 -3.182 -3.241 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.264 -1.147 -4.362 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.754 -0.628 -3.640 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.788 -0.437 -6.780 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.966 0.514 -5.844 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.645 -0.337 -5.009 1.00 0.00 H new ATOM 721 N ILE A 46 -9.320 -5.817 -3.667 1.00 0.00 N ATOM 722 CA ILE A 46 -8.782 -6.987 -4.356 1.00 0.00 C ATOM 723 C ILE A 46 -9.151 -8.278 -3.628 1.00 0.00 C ATOM 724 O ILE A 46 -9.065 -8.353 -2.402 1.00 0.00 O ATOM 725 CB ILE A 46 -7.247 -6.909 -4.485 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.825 -5.574 -5.102 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.726 -8.068 -5.319 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.344 -5.293 -4.981 1.00 0.00 C ATOM 0 H ILE A 46 -9.217 -5.842 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.226 -6.994 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.814 -6.977 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.103 -5.566 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.380 -4.769 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.641 -7.999 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.994 -9.010 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.168 -8.028 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.118 -4.331 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.063 -5.268 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.782 -6.078 -5.488 1.00 0.00 H new ATOM 740 N ASN A 47 -9.552 -9.296 -4.392 1.00 0.00 N ATOM 741 CA ASN A 47 -9.925 -10.591 -3.822 1.00 0.00 C ATOM 742 C ASN A 47 -9.842 -11.698 -4.878 1.00 0.00 C ATOM 743 O ASN A 47 -10.680 -12.602 -4.912 1.00 0.00 O ATOM 744 CB ASN A 47 -11.339 -10.529 -3.230 1.00 0.00 C ATOM 745 CG ASN A 47 -11.522 -11.487 -2.068 1.00 0.00 C ATOM 746 OD1 ASN A 47 -11.839 -12.661 -2.262 1.00 0.00 O ATOM 747 ND2 ASN A 47 -11.320 -10.992 -0.852 1.00 0.00 N ATOM 0 H ASN A 47 -9.627 -9.248 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.220 -10.825 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.546 -9.512 -2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.066 -10.762 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.426 -11.591 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.058 -10.013 -0.737 1.00 0.00 H new ATOM 754 N ASN A 48 -8.826 -11.621 -5.739 1.00 0.00 N ATOM 755 CA ASN A 48 -8.635 -12.612 -6.793 1.00 0.00 C ATOM 756 C ASN A 48 -7.210 -13.158 -6.774 1.00 0.00 C ATOM 757 O ASN A 48 -6.251 -12.389 -6.788 1.00 0.00 O ATOM 758 CB ASN A 48 -8.934 -11.994 -8.163 1.00 0.00 C ATOM 759 CG ASN A 48 -9.508 -13.001 -9.144 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.198 -13.942 -8.753 1.00 0.00 O ATOM 761 ND2 ASN A 48 -9.227 -12.807 -10.428 1.00 0.00 N ATOM 0 H ASN A 48 -8.124 -10.881 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.326 -13.436 -6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.637 -11.170 -8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.017 -11.572 -8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.587 -13.451 -11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.651 -12.014 -10.710 1.00 0.00 H new ATOM 768 N PRO A 49 -7.048 -14.500 -6.735 1.00 0.00 N ATOM 769 CA PRO A 49 -5.724 -15.140 -6.713 1.00 0.00 C ATOM 770 C PRO A 49 -4.933 -14.879 -7.996 1.00 0.00 C ATOM 771 O PRO A 49 -4.820 -15.751 -8.862 1.00 0.00 O ATOM 772 CB PRO A 49 -6.041 -16.637 -6.571 1.00 0.00 C ATOM 773 CG PRO A 49 -7.450 -16.692 -6.093 1.00 0.00 C ATOM 774 CD PRO A 49 -8.129 -15.498 -6.699 1.00 0.00 C ATOM 0 HA PRO A 49 -5.101 -14.751 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.927 -17.156 -7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.366 -17.117 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.934 -17.618 -6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.496 -16.659 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.516 -15.713 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.972 -15.161 -6.096 1.00 0.00 H new ATOM 782 N ASN A 50 -4.389 -13.669 -8.104 1.00 0.00 N ATOM 783 CA ASN A 50 -3.604 -13.267 -9.270 1.00 0.00 C ATOM 784 C ASN A 50 -2.868 -11.953 -9.004 1.00 0.00 C ATOM 785 O ASN A 50 -1.681 -11.829 -9.303 1.00 0.00 O ATOM 786 CB ASN A 50 -4.500 -13.125 -10.504 1.00 0.00 C ATOM 787 CG ASN A 50 -3.723 -13.271 -11.801 1.00 0.00 C ATOM 788 OD1 ASN A 50 -3.638 -12.334 -12.594 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.152 -14.451 -12.024 1.00 0.00 N ATOM 0 H ASN A 50 -4.478 -12.944 -7.392 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.866 -14.046 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.287 -13.879 -10.468 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.990 -12.152 -10.484 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.618 -14.606 -12.879 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.247 -15.201 -11.340 1.00 0.00 H new ATOM 796 N ASP A 51 -3.581 -10.979 -8.434 1.00 0.00 N ATOM 797 CA ASP A 51 -3.001 -9.674 -8.112 1.00 0.00 C ATOM 798 C ASP A 51 -2.577 -9.606 -6.644 1.00 0.00 C ATOM 799 O ASP A 51 -1.616 -8.916 -6.303 1.00 0.00 O ATOM 800 CB ASP A 51 -3.984 -8.529 -8.419 1.00 0.00 C ATOM 801 CG ASP A 51 -5.450 -8.878 -8.192 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.740 -9.783 -7.385 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.312 -8.232 -8.821 1.00 0.00 O ATOM 0 H ASP A 51 -4.566 -11.071 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.119 -9.554 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.728 -7.670 -7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.853 -8.223 -9.457 1.00 0.00 H new ATOM 808 N VAL A 52 -3.298 -10.319 -5.776 1.00 0.00 N ATOM 809 CA VAL A 52 -2.986 -10.330 -4.352 1.00 0.00 C ATOM 810 C VAL A 52 -2.260 -11.618 -3.954 1.00 0.00 C ATOM 811 O VAL A 52 -1.382 -11.596 -3.092 1.00 0.00 O ATOM 812 CB VAL A 52 -4.266 -10.153 -3.502 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.177 -10.908 -2.182 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.529 -8.677 -3.258 1.00 0.00 C ATOM 0 H VAL A 52 -4.099 -10.894 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.322 -9.488 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.100 -10.576 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.095 -10.758 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.042 -11.971 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.330 -10.535 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.432 -8.563 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.683 -8.240 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.660 -8.168 -4.213 1.00 0.00 H new ATOM 824 N SER A 53 -2.630 -12.734 -4.587 1.00 0.00 N ATOM 825 CA SER A 53 -2.010 -14.029 -4.298 1.00 0.00 C ATOM 826 C SER A 53 -0.484 -13.961 -4.413 1.00 0.00 C ATOM 827 O SER A 53 0.228 -14.604 -3.644 1.00 0.00 O ATOM 828 CB SER A 53 -2.555 -15.107 -5.240 1.00 0.00 C ATOM 829 OG SER A 53 -3.552 -15.886 -4.601 1.00 0.00 O ATOM 0 H SER A 53 -3.356 -12.767 -5.303 1.00 0.00 H new ATOM 0 HA SER A 53 -2.261 -14.290 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.971 -14.638 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.741 -15.752 -5.569 1.00 0.00 H new ATOM 0 HG SER A 53 -3.444 -16.827 -4.854 1.00 0.00 H new ATOM 835 N ILE A 54 0.012 -13.180 -5.375 1.00 0.00 N ATOM 836 CA ILE A 54 1.453 -13.037 -5.579 1.00 0.00 C ATOM 837 C ILE A 54 2.014 -11.808 -4.852 1.00 0.00 C ATOM 838 O ILE A 54 3.210 -11.747 -4.562 1.00 0.00 O ATOM 839 CB ILE A 54 1.825 -12.956 -7.081 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.747 -12.228 -7.897 1.00 0.00 C ATOM 841 CG2 ILE A 54 2.062 -14.352 -7.641 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.556 -10.779 -7.502 1.00 0.00 C ATOM 0 H ILE A 54 -0.561 -12.639 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 54 1.904 -13.935 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 54 2.745 -12.377 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.011 -12.275 -8.954 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.200 -12.754 -7.781 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.323 -14.281 -8.697 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.878 -14.829 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.156 -14.947 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.221 -10.332 -8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.261 -10.723 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.491 -10.237 -7.645 1.00 0.00 H new ATOM 854 N PHE A 55 1.148 -10.834 -4.560 1.00 0.00 N ATOM 855 CA PHE A 55 1.559 -9.611 -3.868 1.00 0.00 C ATOM 856 C PHE A 55 1.743 -9.864 -2.370 1.00 0.00 C ATOM 857 O PHE A 55 2.765 -9.491 -1.792 1.00 0.00 O ATOM 858 CB PHE A 55 0.518 -8.509 -4.099 1.00 0.00 C ATOM 859 CG PHE A 55 0.934 -7.150 -3.601 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.023 -6.496 -4.155 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.231 -6.527 -2.582 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.403 -5.247 -3.701 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.606 -5.278 -2.124 1.00 0.00 C ATOM 864 CZ PHE A 55 1.694 -4.638 -2.684 1.00 0.00 C ATOM 0 H PHE A 55 0.156 -10.870 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 55 2.518 -9.289 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.307 -8.443 -5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.412 -8.795 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.581 -6.968 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.620 -7.024 -2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.254 -4.748 -4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.049 -4.803 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.990 -3.663 -2.327 1.00 0.00 H new ATOM 874 N ILE A 56 0.748 -10.501 -1.753 1.00 0.00 N ATOM 875 CA ILE A 56 0.794 -10.812 -0.326 1.00 0.00 C ATOM 876 C ILE A 56 1.041 -12.305 -0.102 1.00 0.00 C ATOM 877 O ILE A 56 0.644 -13.139 -0.919 1.00 0.00 O ATOM 878 CB ILE A 56 -0.516 -10.398 0.387 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.923 -8.973 -0.008 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.369 -10.508 1.900 1.00 0.00 C ATOM 881 CD1 ILE A 56 0.115 -7.921 0.334 1.00 0.00 C ATOM 0 H ILE A 56 -0.103 -10.812 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 56 1.619 -10.241 0.100 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.302 -11.082 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.115 -8.945 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.859 -8.721 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.302 -10.212 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.134 -11.538 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.435 -9.853 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.245 -6.940 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.291 -7.920 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.046 -8.146 -0.186 1.00 0.00 H new ATOM 893 N GLU A 57 1.692 -12.632 1.014 1.00 0.00 N ATOM 894 CA GLU A 57 1.992 -14.018 1.363 1.00 0.00 C ATOM 895 C GLU A 57 1.243 -14.417 2.633 1.00 0.00 C ATOM 896 O GLU A 57 1.780 -14.323 3.742 1.00 0.00 O ATOM 897 CB GLU A 57 3.501 -14.201 1.555 1.00 0.00 C ATOM 898 CG GLU A 57 3.995 -15.600 1.223 1.00 0.00 C ATOM 899 CD GLU A 57 5.409 -15.605 0.676 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.586 -15.287 -0.519 1.00 0.00 O ATOM 901 OE2 GLU A 57 6.341 -15.926 1.444 1.00 0.00 O ATOM 0 H GLU A 57 2.023 -11.949 1.696 1.00 0.00 H new ATOM 0 HA GLU A 57 1.664 -14.663 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.028 -13.481 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.757 -13.971 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.954 -16.218 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.325 -16.054 0.493 1.00 0.00 H new ATOM 908 N ASP A 58 -0.011 -14.843 2.459 1.00 0.00 N ATOM 909 CA ASP A 58 -0.866 -15.240 3.577 1.00 0.00 C ATOM 910 C ASP A 58 -0.998 -14.094 4.580 1.00 0.00 C ATOM 911 O ASP A 58 -0.504 -14.174 5.707 1.00 0.00 O ATOM 912 CB ASP A 58 -0.325 -16.507 4.255 1.00 0.00 C ATOM 913 CG ASP A 58 -1.390 -17.238 5.054 1.00 0.00 C ATOM 914 OD1 ASP A 58 -2.107 -18.072 4.463 1.00 0.00 O ATOM 915 OD2 ASP A 58 -1.506 -16.977 6.269 1.00 0.00 O ATOM 0 H ASP A 58 -0.458 -14.922 1.546 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.858 -15.469 3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.079 -17.177 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.500 -16.238 4.915 1.00 0.00 H new ATOM 920 N ASP A 59 -1.664 -13.019 4.143 1.00 0.00 N ATOM 921 CA ASP A 59 -1.886 -11.819 4.965 1.00 0.00 C ATOM 922 C ASP A 59 -0.629 -10.948 5.076 1.00 0.00 C ATOM 923 O ASP A 59 -0.710 -9.721 4.985 1.00 0.00 O ATOM 924 CB ASP A 59 -2.382 -12.185 6.370 1.00 0.00 C ATOM 925 CG ASP A 59 -3.484 -13.231 6.361 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.354 -13.176 5.465 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.478 -14.102 7.253 1.00 0.00 O ATOM 0 H ASP A 59 -2.066 -12.954 3.208 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.656 -11.241 4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.543 -12.555 6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.748 -11.285 6.865 1.00 0.00 H new ATOM 932 N SER A 60 0.526 -11.582 5.279 1.00 0.00 N ATOM 933 CA SER A 60 1.793 -10.864 5.412 1.00 0.00 C ATOM 934 C SER A 60 2.368 -10.513 4.044 1.00 0.00 C ATOM 935 O SER A 60 2.472 -11.370 3.167 1.00 0.00 O ATOM 936 CB SER A 60 2.799 -11.704 6.209 1.00 0.00 C ATOM 937 OG SER A 60 2.178 -12.330 7.321 1.00 0.00 O ATOM 0 H SER A 60 0.610 -12.596 5.355 1.00 0.00 H new ATOM 0 HA SER A 60 1.602 -9.936 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.239 -12.462 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.614 -11.068 6.555 1.00 0.00 H new ATOM 0 HG SER A 60 2.841 -12.860 7.810 1.00 0.00 H new ATOM 943 N ILE A 61 2.738 -9.246 3.868 1.00 0.00 N ATOM 944 CA ILE A 61 3.301 -8.780 2.601 1.00 0.00 C ATOM 945 C ILE A 61 4.616 -9.490 2.282 1.00 0.00 C ATOM 946 O ILE A 61 5.328 -9.939 3.183 1.00 0.00 O ATOM 947 CB ILE A 61 3.538 -7.253 2.609 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.277 -6.514 3.063 1.00 0.00 C ATOM 949 CG2 ILE A 61 3.958 -6.771 1.226 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.461 -5.718 4.339 1.00 0.00 C ATOM 0 H ILE A 61 2.659 -8.525 4.585 1.00 0.00 H new ATOM 0 HA ILE A 61 2.569 -9.019 1.830 1.00 0.00 H new ATOM 0 HB ILE A 61 4.341 -7.037 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.956 -5.840 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.476 -7.238 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.121 -5.693 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.881 -7.271 0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.173 -7.003 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.525 -5.223 4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.751 -6.389 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.239 -4.969 4.192 1.00 0.00 H new ATOM 962 N ARG A 62 4.931 -9.584 0.992 1.00 0.00 N ATOM 963 CA ARG A 62 6.159 -10.238 0.546 1.00 0.00 C ATOM 964 C ARG A 62 7.353 -9.286 0.628 1.00 0.00 C ATOM 965 O ARG A 62 7.256 -8.122 0.232 1.00 0.00 O ATOM 966 CB ARG A 62 6.002 -10.747 -0.890 1.00 0.00 C ATOM 967 CG ARG A 62 6.543 -12.153 -1.100 1.00 0.00 C ATOM 968 CD ARG A 62 6.290 -12.645 -2.517 1.00 0.00 C ATOM 969 NE ARG A 62 7.428 -12.390 -3.402 1.00 0.00 N ATOM 970 CZ ARG A 62 7.618 -13.009 -4.571 1.00 0.00 C ATOM 971 NH1 ARG A 62 6.744 -13.912 -5.008 1.00 0.00 N ATOM 972 NH2 ARG A 62 8.684 -12.721 -5.310 1.00 0.00 N ATOM 0 H ARG A 62 4.353 -9.215 0.237 1.00 0.00 H new ATOM 0 HA ARG A 62 6.345 -11.083 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.946 -10.729 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.516 -10.064 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.614 -12.166 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.075 -12.834 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.080 -13.714 -2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.403 -12.154 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 62 8.118 -11.698 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.921 -14.137 -4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.897 -14.379 -5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.358 -12.027 -4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.829 -13.194 -6.202 1.00 0.00 H new ATOM 986 N PRO A 63 8.502 -9.773 1.141 1.00 0.00 N ATOM 987 CA PRO A 63 9.720 -8.963 1.265 1.00 0.00 C ATOM 988 C PRO A 63 10.330 -8.637 -0.096 1.00 0.00 C ATOM 989 O PRO A 63 10.914 -9.505 -0.750 1.00 0.00 O ATOM 990 CB PRO A 63 10.663 -9.850 2.083 1.00 0.00 C ATOM 991 CG PRO A 63 10.190 -11.242 1.837 1.00 0.00 C ATOM 992 CD PRO A 63 8.703 -11.152 1.633 1.00 0.00 C ATOM 0 HA PRO A 63 9.525 -7.997 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.698 -9.723 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.620 -9.600 3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.678 -11.669 0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.428 -11.889 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.352 -11.890 0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.160 -11.330 2.561 1.00 0.00 H new ATOM 1000 N GLY A 64 10.184 -7.385 -0.518 1.00 0.00 N ATOM 1001 CA GLY A 64 10.717 -6.962 -1.803 1.00 0.00 C ATOM 1002 C GLY A 64 10.170 -5.620 -2.252 1.00 0.00 C ATOM 1003 O GLY A 64 10.885 -4.828 -2.870 1.00 0.00 O ATOM 0 H GLY A 64 9.705 -6.653 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.804 -6.904 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.482 -7.715 -2.555 1.00 0.00 H new ATOM 1007 N ILE A 65 8.898 -5.361 -1.940 1.00 0.00 N ATOM 1008 CA ILE A 65 8.256 -4.103 -2.314 1.00 0.00 C ATOM 1009 C ILE A 65 8.874 -2.932 -1.556 1.00 0.00 C ATOM 1010 O ILE A 65 8.875 -2.905 -0.323 1.00 0.00 O ATOM 1011 CB ILE A 65 6.735 -4.131 -2.045 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.094 -5.376 -2.669 1.00 0.00 C ATOM 1013 CG2 ILE A 65 6.077 -2.866 -2.582 1.00 0.00 C ATOM 1014 CD1 ILE A 65 4.888 -5.879 -1.907 1.00 0.00 C ATOM 0 H ILE A 65 8.295 -6.006 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 65 8.418 -3.974 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 65 6.580 -4.173 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.798 -5.148 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.838 -6.171 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.006 -2.901 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.508 -1.994 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.246 -2.796 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.485 -6.761 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.182 -6.138 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.126 -5.100 -1.877 1.00 0.00 H new ATOM 1026 N ILE A 66 9.398 -1.969 -2.307 1.00 0.00 N ATOM 1027 CA ILE A 66 10.026 -0.786 -1.729 1.00 0.00 C ATOM 1028 C ILE A 66 9.000 0.333 -1.526 1.00 0.00 C ATOM 1029 O ILE A 66 8.690 1.079 -2.457 1.00 0.00 O ATOM 1030 CB ILE A 66 11.174 -0.281 -2.633 1.00 0.00 C ATOM 1031 CG1 ILE A 66 12.261 -1.353 -2.768 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.767 1.012 -2.088 1.00 0.00 C ATOM 1033 CD1 ILE A 66 13.132 -1.181 -3.994 1.00 0.00 C ATOM 0 H ILE A 66 9.400 -1.986 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 66 10.435 -1.068 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 66 10.762 -0.076 -3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.891 -1.333 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.789 -2.335 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.573 1.347 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.993 1.778 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 66 12.161 0.838 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.878 -1.975 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.513 -1.231 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.633 -0.214 -3.952 1.00 0.00 H new ATOM 1045 N THR A 67 8.475 0.445 -0.307 1.00 0.00 N ATOM 1046 CA THR A 67 7.487 1.473 0.007 1.00 0.00 C ATOM 1047 C THR A 67 8.111 2.604 0.824 1.00 0.00 C ATOM 1048 O THR A 67 8.877 2.360 1.758 1.00 0.00 O ATOM 1049 CB THR A 67 6.296 0.868 0.758 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.307 1.852 1.006 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.668 0.248 2.088 1.00 0.00 C ATOM 0 H THR A 67 8.717 -0.162 0.476 1.00 0.00 H new ATOM 0 HA THR A 67 7.129 1.890 -0.934 1.00 0.00 H new ATOM 0 HB THR A 67 5.920 0.081 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.423 1.491 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.775 -0.159 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.391 -0.552 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.107 1.009 2.734 1.00 0.00 H new ATOM 1059 N LEU A 68 7.778 3.842 0.458 1.00 0.00 N ATOM 1060 CA LEU A 68 8.303 5.018 1.144 1.00 0.00 C ATOM 1061 C LEU A 68 7.174 5.932 1.611 1.00 0.00 C ATOM 1062 O LEU A 68 6.409 6.454 0.798 1.00 0.00 O ATOM 1063 CB LEU A 68 9.244 5.794 0.219 1.00 0.00 C ATOM 1064 CG LEU A 68 10.436 5.001 -0.324 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.329 5.903 -1.162 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.224 4.369 0.816 1.00 0.00 C ATOM 0 H LEU A 68 7.145 4.054 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 68 8.855 4.676 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.666 6.171 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.623 6.661 0.759 1.00 0.00 H new ATOM 0 HG LEU A 68 10.060 4.199 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.173 5.328 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.757 6.305 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.697 6.724 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.067 3.810 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.593 5.150 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.577 3.694 1.375 1.00 0.00 H new ATOM 1078 N ILE A 69 7.084 6.129 2.925 1.00 0.00 N ATOM 1079 CA ILE A 69 6.058 6.988 3.508 1.00 0.00 C ATOM 1080 C ILE A 69 6.649 8.345 3.888 1.00 0.00 C ATOM 1081 O ILE A 69 7.436 8.444 4.831 1.00 0.00 O ATOM 1082 CB ILE A 69 5.418 6.341 4.758 1.00 0.00 C ATOM 1083 CG1 ILE A 69 4.998 4.897 4.462 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.223 7.158 5.235 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.599 4.115 5.696 1.00 0.00 C ATOM 0 H ILE A 69 7.712 5.703 3.607 1.00 0.00 H new ATOM 0 HA ILE A 69 5.283 7.124 2.754 1.00 0.00 H new ATOM 0 HB ILE A 69 6.163 6.327 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.162 4.907 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.822 4.382 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.787 6.685 6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.550 8.166 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.476 7.207 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.314 3.103 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.440 4.073 6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.755 4.606 6.181 1.00 0.00 H new ATOM 1097 N ASN A 70 6.267 9.384 3.140 1.00 0.00 N ATOM 1098 CA ASN A 70 6.757 10.743 3.381 1.00 0.00 C ATOM 1099 C ASN A 70 8.285 10.796 3.297 1.00 0.00 C ATOM 1100 O ASN A 70 8.948 11.357 4.172 1.00 0.00 O ATOM 1101 CB ASN A 70 6.275 11.253 4.747 1.00 0.00 C ATOM 1102 CG ASN A 70 4.969 12.024 4.658 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.115 11.731 3.820 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.806 13.019 5.526 1.00 0.00 N ATOM 0 H ASN A 70 5.616 9.308 2.358 1.00 0.00 H new ATOM 0 HA ASN A 70 6.352 11.393 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.147 10.406 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.042 11.894 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.949 13.572 5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.538 13.229 6.204 1.00 0.00 H new ATOM 1111 N ASP A 71 8.836 10.206 2.232 1.00 0.00 N ATOM 1112 CA ASP A 71 10.283 10.178 2.018 1.00 0.00 C ATOM 1113 C ASP A 71 11.005 9.476 3.174 1.00 0.00 C ATOM 1114 O ASP A 71 12.085 9.898 3.593 1.00 0.00 O ATOM 1115 CB ASP A 71 10.823 11.601 1.837 1.00 0.00 C ATOM 1116 CG ASP A 71 10.597 12.135 0.435 1.00 0.00 C ATOM 1117 OD1 ASP A 71 9.424 12.218 0.011 1.00 0.00 O ATOM 1118 OD2 ASP A 71 11.593 12.472 -0.239 1.00 0.00 O ATOM 0 H ASP A 71 8.297 9.740 1.502 1.00 0.00 H new ATOM 0 HA ASP A 71 10.476 9.609 1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.341 12.263 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.890 11.612 2.059 1.00 0.00 H new ATOM 1123 N THR A 72 10.401 8.403 3.685 1.00 0.00 N ATOM 1124 CA THR A 72 10.985 7.639 4.785 1.00 0.00 C ATOM 1125 C THR A 72 10.664 6.153 4.641 1.00 0.00 C ATOM 1126 O THR A 72 9.747 5.776 3.909 1.00 0.00 O ATOM 1127 CB THR A 72 10.476 8.160 6.140 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.047 9.508 6.045 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.517 8.095 7.237 1.00 0.00 C ATOM 0 H THR A 72 9.506 8.044 3.353 1.00 0.00 H new ATOM 0 HA THR A 72 12.067 7.767 4.746 1.00 0.00 H new ATOM 0 HB THR A 72 9.647 7.501 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.192 9.546 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.092 8.477 8.165 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.830 7.061 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.379 8.700 6.957 1.00 0.00 H new ATOM 1137 N ASP A 73 11.425 5.311 5.343 1.00 0.00 N ATOM 1138 CA ASP A 73 11.219 3.866 5.291 1.00 0.00 C ATOM 1139 C ASP A 73 10.071 3.446 6.204 1.00 0.00 C ATOM 1140 O ASP A 73 10.076 3.747 7.399 1.00 0.00 O ATOM 1141 CB ASP A 73 12.498 3.123 5.690 1.00 0.00 C ATOM 1142 CG ASP A 73 13.329 2.714 4.491 1.00 0.00 C ATOM 1143 OD1 ASP A 73 12.904 1.793 3.761 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.403 3.314 4.281 1.00 0.00 O ATOM 0 H ASP A 73 12.188 5.606 5.953 1.00 0.00 H new ATOM 0 HA ASP A 73 10.963 3.603 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.096 3.760 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.234 2.235 6.265 1.00 0.00 H new ATOM 1149 N TRP A 74 9.088 2.750 5.632 1.00 0.00 N ATOM 1150 CA TRP A 74 7.929 2.285 6.395 1.00 0.00 C ATOM 1151 C TRP A 74 8.352 1.437 7.597 1.00 0.00 C ATOM 1152 O TRP A 74 7.703 1.471 8.641 1.00 0.00 O ATOM 1153 CB TRP A 74 6.970 1.490 5.497 1.00 0.00 C ATOM 1154 CG TRP A 74 7.497 0.151 5.060 1.00 0.00 C ATOM 1155 CD1 TRP A 74 8.744 -0.129 4.572 1.00 0.00 C ATOM 1156 CD2 TRP A 74 6.782 -1.091 5.061 1.00 0.00 C ATOM 1157 NE1 TRP A 74 8.847 -1.466 4.277 1.00 0.00 N ATOM 1158 CE2 TRP A 74 7.656 -2.078 4.568 1.00 0.00 C ATOM 1159 CE3 TRP A 74 5.487 -1.465 5.435 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 7.276 -3.412 4.436 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 5.112 -2.789 5.303 1.00 0.00 C ATOM 1162 CH2 TRP A 74 6.004 -3.748 4.809 1.00 0.00 C ATOM 0 H TRP A 74 9.071 2.496 4.644 1.00 0.00 H new ATOM 0 HA TRP A 74 7.410 3.167 6.770 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.031 1.341 6.030 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.743 2.084 4.612 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.533 0.596 4.438 1.00 0.00 H new ATOM 0 HE1 TRP A 74 9.675 -1.928 3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.793 -0.733 5.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 7.961 -4.154 4.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.114 -3.089 5.586 1.00 0.00 H new ATOM 0 HH2 TRP A 74 5.681 -4.775 4.721 1.00 0.00 H new ATOM 1173 N GLU A 75 9.443 0.684 7.446 1.00 0.00 N ATOM 1174 CA GLU A 75 9.948 -0.165 8.525 1.00 0.00 C ATOM 1175 C GLU A 75 10.752 0.651 9.539 1.00 0.00 C ATOM 1176 O GLU A 75 10.739 0.356 10.734 1.00 0.00 O ATOM 1177 CB GLU A 75 10.812 -1.298 7.956 1.00 0.00 C ATOM 1178 CG GLU A 75 12.011 -0.821 7.143 1.00 0.00 C ATOM 1179 CD GLU A 75 13.096 -1.877 7.019 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.781 -3.007 6.587 1.00 0.00 O ATOM 1181 OE2 GLU A 75 14.261 -1.572 7.350 1.00 0.00 O ATOM 0 H GLU A 75 9.993 0.645 6.588 1.00 0.00 H new ATOM 0 HA GLU A 75 9.090 -0.598 9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.168 -1.917 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.190 -1.933 7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.677 -0.531 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.430 0.070 7.610 1.00 0.00 H new ATOM 1188 N LEU A 76 11.445 1.681 9.052 1.00 0.00 N ATOM 1189 CA LEU A 76 12.253 2.546 9.911 1.00 0.00 C ATOM 1190 C LEU A 76 11.372 3.428 10.805 1.00 0.00 C ATOM 1191 O LEU A 76 11.807 3.867 11.870 1.00 0.00 O ATOM 1192 CB LEU A 76 13.176 3.422 9.057 1.00 0.00 C ATOM 1193 CG LEU A 76 14.488 3.843 9.728 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.622 3.876 8.712 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.335 5.200 10.405 1.00 0.00 C ATOM 0 H LEU A 76 11.463 1.937 8.065 1.00 0.00 H new ATOM 0 HA LEU A 76 12.856 1.908 10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.413 2.884 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.631 4.320 8.768 1.00 0.00 H new ATOM 0 HG LEU A 76 14.733 3.106 10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.545 4.177 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.750 2.885 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.384 4.590 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.278 5.480 10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.064 5.949 9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.554 5.142 11.163 1.00 0.00 H new ATOM 1207 N GLU A 77 10.136 3.687 10.368 1.00 0.00 N ATOM 1208 CA GLU A 77 9.208 4.517 11.134 1.00 0.00 C ATOM 1209 C GLU A 77 8.157 3.661 11.843 1.00 0.00 C ATOM 1210 O GLU A 77 8.032 3.711 13.067 1.00 0.00 O ATOM 1211 CB GLU A 77 8.523 5.534 10.216 1.00 0.00 C ATOM 1212 CG GLU A 77 8.897 6.976 10.518 1.00 0.00 C ATOM 1213 CD GLU A 77 8.061 7.969 9.736 1.00 0.00 C ATOM 1214 OE1 GLU A 77 8.341 8.166 8.537 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.124 8.548 10.322 1.00 0.00 O ATOM 0 H GLU A 77 9.758 3.334 9.489 1.00 0.00 H new ATOM 0 HA GLU A 77 9.782 5.050 11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.782 5.309 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.443 5.421 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.775 7.164 11.585 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.951 7.131 10.286 1.00 0.00 H new ATOM 1222 N GLY A 78 7.403 2.880 11.068 1.00 0.00 N ATOM 1223 CA GLY A 78 6.372 2.029 11.641 1.00 0.00 C ATOM 1224 C GLY A 78 5.587 1.272 10.586 1.00 0.00 C ATOM 1225 O GLY A 78 4.666 1.822 9.981 1.00 0.00 O ATOM 0 H GLY A 78 7.489 2.822 10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.833 1.317 12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.687 2.640 12.229 1.00 0.00 H new ATOM 1229 N GLU A 79 5.961 0.008 10.362 1.00 0.00 N ATOM 1230 CA GLU A 79 5.294 -0.838 9.367 1.00 0.00 C ATOM 1231 C GLU A 79 3.774 -0.755 9.495 1.00 0.00 C ATOM 1232 O GLU A 79 3.088 -0.408 8.536 1.00 0.00 O ATOM 1233 CB GLU A 79 5.751 -2.292 9.510 1.00 0.00 C ATOM 1234 CG GLU A 79 7.032 -2.603 8.751 1.00 0.00 C ATOM 1235 CD GLU A 79 7.164 -4.072 8.395 1.00 0.00 C ATOM 1236 OE1 GLU A 79 6.210 -4.635 7.819 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.226 -4.659 8.692 1.00 0.00 O ATOM 0 H GLU A 79 6.724 -0.453 10.858 1.00 0.00 H new ATOM 0 HA GLU A 79 5.573 -0.470 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.901 -2.515 10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.958 -2.950 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.061 -2.009 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.888 -2.302 9.354 1.00 0.00 H new ATOM 1244 N LYS A 80 3.258 -1.069 10.685 1.00 0.00 N ATOM 1245 CA LYS A 80 1.817 -1.017 10.940 1.00 0.00 C ATOM 1246 C LYS A 80 1.489 0.019 12.022 1.00 0.00 C ATOM 1247 O LYS A 80 0.414 0.623 12.004 1.00 0.00 O ATOM 1248 CB LYS A 80 1.296 -2.396 11.355 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.190 -2.412 11.688 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.813 -3.778 11.432 1.00 0.00 C ATOM 1251 CE LYS A 80 -1.934 -4.084 12.419 1.00 0.00 C ATOM 1252 NZ LYS A 80 -3.056 -4.827 11.777 1.00 0.00 N ATOM 0 H LYS A 80 3.816 -1.362 11.487 1.00 0.00 H new ATOM 0 HA LYS A 80 1.322 -0.717 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.487 -3.105 10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.858 -2.741 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.331 -2.139 12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.705 -1.660 11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.204 -3.814 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.044 -4.547 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.537 -4.671 13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.311 -3.152 12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.797 -5.015 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.452 -4.257 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.703 -5.729 11.397 1.00 0.00 H new ATOM 1266 N ASP A 81 2.422 0.221 12.959 1.00 0.00 N ATOM 1267 CA ASP A 81 2.238 1.184 14.046 1.00 0.00 C ATOM 1268 C ASP A 81 2.523 2.612 13.568 1.00 0.00 C ATOM 1269 O ASP A 81 3.366 3.316 14.128 1.00 0.00 O ATOM 1270 CB ASP A 81 3.145 0.823 15.232 1.00 0.00 C ATOM 1271 CG ASP A 81 2.561 -0.272 16.110 1.00 0.00 C ATOM 1272 OD1 ASP A 81 1.829 -1.137 15.580 1.00 0.00 O ATOM 1273 OD2 ASP A 81 2.838 -0.266 17.327 1.00 0.00 O ATOM 0 H ASP A 81 3.314 -0.272 12.985 1.00 0.00 H new ATOM 0 HA ASP A 81 1.199 1.139 14.371 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.116 0.501 14.856 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.317 1.714 15.836 1.00 0.00 H new ATOM 1278 N TYR A 82 1.804 3.029 12.526 1.00 0.00 N ATOM 1279 CA TYR A 82 1.954 4.364 11.956 1.00 0.00 C ATOM 1280 C TYR A 82 0.583 4.952 11.635 1.00 0.00 C ATOM 1281 O TYR A 82 -0.118 4.463 10.745 1.00 0.00 O ATOM 1282 CB TYR A 82 2.818 4.311 10.691 1.00 0.00 C ATOM 1283 CG TYR A 82 2.882 5.619 9.930 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.686 6.663 10.369 1.00 0.00 C ATOM 1285 CD2 TYR A 82 2.140 5.805 8.770 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.749 7.856 9.673 1.00 0.00 C ATOM 1287 CE2 TYR A 82 2.200 6.994 8.068 1.00 0.00 C ATOM 1288 CZ TYR A 82 3.004 8.017 8.524 1.00 0.00 C ATOM 1289 OH TYR A 82 3.070 9.202 7.826 1.00 0.00 O ATOM 0 H TYR A 82 1.105 2.453 12.057 1.00 0.00 H new ATOM 0 HA TYR A 82 2.450 5.003 12.687 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.830 4.014 10.967 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.428 3.537 10.030 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.271 6.541 11.268 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.506 5.008 8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.379 8.658 10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.620 7.121 7.166 1.00 0.00 H new ATOM 0 HH TYR A 82 2.231 9.343 7.340 1.00 0.00 H new ATOM 1299 N ILE A 83 0.206 5.997 12.368 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.083 6.652 12.167 1.00 0.00 C ATOM 1301 C ILE A 83 -1.179 7.236 10.758 1.00 0.00 C ATOM 1302 O ILE A 83 -0.293 7.976 10.326 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.318 7.780 13.201 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.053 7.276 14.627 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.736 8.323 13.084 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.195 7.861 15.257 1.00 0.00 C ATOM 0 H ILE A 83 0.776 6.408 13.107 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.852 5.891 12.301 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.618 8.588 12.989 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.912 7.516 15.253 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.965 6.190 14.609 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.884 9.115 13.818 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.891 8.723 12.082 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.450 7.520 13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.317 7.459 16.263 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.064 7.599 14.654 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.102 8.946 15.308 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.255 6.898 10.044 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.453 7.393 8.685 1.00 0.00 C ATOM 1320 C LEU A 84 -2.647 8.911 8.684 1.00 0.00 C ATOM 1321 O LEU A 84 -2.666 9.548 9.740 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.655 6.699 8.026 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.363 5.325 7.402 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.614 4.758 6.742 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.225 5.420 6.394 1.00 0.00 C ATOM 0 H LEU A 84 -2.997 6.287 10.384 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.559 7.161 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.439 6.580 8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.051 7.355 7.250 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.057 4.648 8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.386 3.785 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.400 4.646 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.951 5.436 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.036 4.436 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.499 6.115 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.325 5.777 6.894 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.790 9.484 7.491 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.977 10.920 7.338 1.00 0.00 C ATOM 1339 C GLU A 85 -3.511 11.234 5.947 1.00 0.00 C ATOM 1340 O GLU A 85 -2.756 11.262 4.973 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.658 11.665 7.567 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.665 12.562 8.793 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.301 13.163 9.071 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.161 13.992 8.259 1.00 0.00 O ATOM 1345 OE2 GLU A 85 0.308 12.801 10.100 1.00 0.00 O ATOM 0 H GLU A 85 -2.779 8.968 6.611 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.699 11.252 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.853 10.937 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.435 12.269 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.391 13.363 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.990 11.987 9.660 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.819 11.456 5.862 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.471 11.765 4.587 1.00 0.00 C ATOM 1354 C ASP A 86 -4.721 12.869 3.848 1.00 0.00 C ATOM 1355 O ASP A 86 -4.739 14.030 4.262 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.937 12.175 4.798 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.111 13.264 5.842 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.900 12.982 7.040 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.466 14.396 5.459 1.00 0.00 O ATOM 0 H ASP A 86 -5.452 11.428 6.661 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.451 10.860 3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.351 12.520 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.513 11.299 5.097 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.052 12.491 2.759 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.288 13.449 1.977 1.00 0.00 C ATOM 1366 C GLY A 87 -1.786 13.269 2.137 1.00 0.00 C ATOM 1367 O GLY A 87 -1.023 14.223 1.968 1.00 0.00 O ATOM 0 H GLY A 87 -4.026 11.535 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.552 13.347 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.563 14.460 2.278 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.361 12.045 2.462 1.00 0.00 N ATOM 1372 CA ASP A 88 0.057 11.744 2.646 1.00 0.00 C ATOM 1373 C ASP A 88 0.652 11.112 1.387 1.00 0.00 C ATOM 1374 O ASP A 88 -0.062 10.857 0.413 1.00 0.00 O ATOM 1375 CB ASP A 88 0.246 10.806 3.846 1.00 0.00 C ATOM 1376 CG ASP A 88 0.760 11.519 5.088 1.00 0.00 C ATOM 1377 OD1 ASP A 88 0.477 12.726 5.250 1.00 0.00 O ATOM 1378 OD2 ASP A 88 1.443 10.864 5.904 1.00 0.00 O ATOM 0 H ASP A 88 -1.981 11.247 2.603 1.00 0.00 H new ATOM 0 HA ASP A 88 0.581 12.680 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.705 10.326 4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.944 10.014 3.574 1.00 0.00 H new ATOM 1383 N ILE A 89 1.963 10.866 1.409 1.00 0.00 N ATOM 1384 CA ILE A 89 2.652 10.270 0.265 1.00 0.00 C ATOM 1385 C ILE A 89 3.243 8.905 0.620 1.00 0.00 C ATOM 1386 O ILE A 89 4.196 8.816 1.396 1.00 0.00 O ATOM 1387 CB ILE A 89 3.780 11.185 -0.257 1.00 0.00 C ATOM 1388 CG1 ILE A 89 3.268 12.614 -0.464 1.00 0.00 C ATOM 1389 CG2 ILE A 89 4.356 10.635 -1.555 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.190 12.728 -1.523 1.00 0.00 C ATOM 0 H ILE A 89 2.567 11.070 2.205 1.00 0.00 H new ATOM 0 HA ILE A 89 1.904 10.145 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 89 4.572 11.209 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.877 12.991 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.106 13.254 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.150 11.293 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.762 9.639 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.569 10.579 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.877 13.768 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.582 12.382 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.334 12.115 -1.239 1.00 0.00 H new ATOM 1402 N ILE A 90 2.675 7.847 0.039 1.00 0.00 N ATOM 1403 CA ILE A 90 3.144 6.483 0.285 1.00 0.00 C ATOM 1404 C ILE A 90 3.453 5.772 -1.035 1.00 0.00 C ATOM 1405 O ILE A 90 2.554 5.250 -1.695 1.00 0.00 O ATOM 1406 CB ILE A 90 2.099 5.667 1.079 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.779 6.357 2.407 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.591 4.246 1.324 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.521 5.839 3.069 1.00 0.00 C ATOM 0 H ILE A 90 1.888 7.909 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 90 4.056 6.552 0.878 1.00 0.00 H new ATOM 0 HB ILE A 90 1.187 5.614 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.620 6.224 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.675 7.428 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.838 3.692 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.768 3.752 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.519 4.276 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.356 6.373 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.330 5.997 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.629 4.774 3.273 1.00 0.00 H new ATOM 1421 N SER A 91 4.729 5.760 -1.415 1.00 0.00 N ATOM 1422 CA SER A 91 5.152 5.121 -2.662 1.00 0.00 C ATOM 1423 C SER A 91 5.270 3.607 -2.503 1.00 0.00 C ATOM 1424 O SER A 91 5.414 3.098 -1.391 1.00 0.00 O ATOM 1425 CB SER A 91 6.493 5.691 -3.130 1.00 0.00 C ATOM 1426 OG SER A 91 6.587 7.080 -2.858 1.00 0.00 O ATOM 0 H SER A 91 5.487 6.184 -0.880 1.00 0.00 H new ATOM 0 HA SER A 91 4.388 5.331 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.308 5.165 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.610 5.519 -4.200 1.00 0.00 H new ATOM 0 HG SER A 91 7.455 7.416 -3.166 1.00 0.00 H new ATOM 1432 N PHE A 92 5.208 2.896 -3.629 1.00 0.00 N ATOM 1433 CA PHE A 92 5.310 1.439 -3.635 1.00 0.00 C ATOM 1434 C PHE A 92 6.045 0.950 -4.884 1.00 0.00 C ATOM 1435 O PHE A 92 5.420 0.597 -5.888 1.00 0.00 O ATOM 1436 CB PHE A 92 3.915 0.808 -3.571 1.00 0.00 C ATOM 1437 CG PHE A 92 3.315 0.786 -2.194 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.752 -0.125 -1.247 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.307 1.673 -1.851 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.196 -0.150 0.018 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.747 1.651 -0.589 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.192 0.738 0.347 1.00 0.00 C ATOM 0 H PHE A 92 5.087 3.310 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 92 5.879 1.136 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.249 1.356 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.972 -0.213 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.536 -0.824 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.956 2.389 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.547 -0.864 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.962 2.347 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.755 0.719 1.335 1.00 0.00 H new ATOM 1452 N THR A 93 7.376 0.926 -4.812 1.00 0.00 N ATOM 1453 CA THR A 93 8.202 0.472 -5.932 1.00 0.00 C ATOM 1454 C THR A 93 8.494 -1.024 -5.814 1.00 0.00 C ATOM 1455 O THR A 93 8.339 -1.612 -4.744 1.00 0.00 O ATOM 1456 CB THR A 93 9.524 1.255 -5.996 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.909 1.732 -4.715 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.478 2.443 -6.933 1.00 0.00 C ATOM 0 H THR A 93 7.906 1.216 -3.990 1.00 0.00 H new ATOM 0 HA THR A 93 7.644 0.655 -6.850 1.00 0.00 H new ATOM 0 HB THR A 93 10.250 0.537 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.753 2.224 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.444 2.948 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.253 2.101 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.704 3.136 -6.604 1.00 0.00 H new ATOM 1466 N SER A 94 8.919 -1.637 -6.919 1.00 0.00 N ATOM 1467 CA SER A 94 9.234 -3.064 -6.927 1.00 0.00 C ATOM 1468 C SER A 94 10.334 -3.371 -7.939 1.00 0.00 C ATOM 1469 O SER A 94 10.063 -3.583 -9.123 1.00 0.00 O ATOM 1470 CB SER A 94 7.981 -3.887 -7.238 1.00 0.00 C ATOM 1471 OG SER A 94 7.351 -4.323 -6.046 1.00 0.00 O ATOM 0 H SER A 94 9.052 -1.170 -7.816 1.00 0.00 H new ATOM 0 HA SER A 94 9.595 -3.338 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.284 -3.288 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.250 -4.749 -7.848 1.00 0.00 H new ATOM 0 HG SER A 94 7.473 -3.648 -5.346 1.00 0.00 H new ATOM 1477 N THR A 95 11.577 -3.391 -7.462 1.00 0.00 N ATOM 1478 CA THR A 95 12.726 -3.670 -8.319 1.00 0.00 C ATOM 1479 C THR A 95 13.314 -5.051 -8.013 1.00 0.00 C ATOM 1480 O THR A 95 14.534 -5.234 -8.017 1.00 0.00 O ATOM 1481 CB THR A 95 13.797 -2.586 -8.144 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.207 -1.327 -7.858 1.00 0.00 O ATOM 1483 CG2 THR A 95 14.675 -2.411 -9.365 1.00 0.00 C ATOM 0 H THR A 95 11.814 -3.217 -6.485 1.00 0.00 H new ATOM 0 HA THR A 95 12.386 -3.666 -9.355 1.00 0.00 H new ATOM 0 HB THR A 95 14.414 -2.928 -7.313 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.910 -0.653 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.411 -1.630 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.188 -3.348 -9.581 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.059 -2.129 -10.219 1.00 0.00 H new