USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 64:sc= -0.361 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -0.691 F(o=-5.1,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-1.9!) USER MOD Single : A 24 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 46 SER OG : rot -27:sc= 0.528 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : A 63 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-2.8!) USER MOD Single : A 70 ASN :FLIP amide:sc=-0.00886 F(o=-2.9!,f=-0.0089) USER MOD Single : A 75 SER OG : rot 180:sc= 0.02 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.38! C(o=-2.9!,f=-2.4!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -94:sc= 1.17 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.131 -6.588 -0.449 1.00 0.00 N ATOM 67 CA LYS A 8 -13.094 -5.719 -1.613 1.00 0.00 C ATOM 68 C LYS A 8 -11.664 -5.218 -1.825 1.00 0.00 C ATOM 69 O LYS A 8 -10.767 -5.544 -1.050 1.00 0.00 O ATOM 70 CB LYS A 8 -14.125 -4.597 -1.477 1.00 0.00 C ATOM 71 CG LYS A 8 -15.449 -4.985 -2.138 1.00 0.00 C ATOM 72 CD LYS A 8 -16.331 -5.781 -1.174 1.00 0.00 C ATOM 73 CE LYS A 8 -17.554 -4.966 -0.750 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.511 -5.815 -0.006 1.00 0.00 N ATOM 0 HA LYS A 8 -13.375 -6.271 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.292 -4.378 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.739 -3.686 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.975 -4.087 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.253 -5.578 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.654 -6.707 -1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.753 -6.061 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.242 -4.128 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.040 -4.545 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.335 -5.246 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.823 -6.600 -0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.049 -6.196 0.844 1.00 0.00 H new ATOM 88 N SER A 9 -11.497 -4.433 -2.880 1.00 0.00 N ATOM 89 CA SER A 9 -10.191 -3.884 -3.204 1.00 0.00 C ATOM 90 C SER A 9 -10.333 -2.429 -3.655 1.00 0.00 C ATOM 91 O SER A 9 -11.052 -2.139 -4.610 1.00 0.00 O ATOM 92 CB SER A 9 -9.499 -4.711 -4.289 1.00 0.00 C ATOM 93 OG SER A 9 -9.712 -4.170 -5.590 1.00 0.00 O ATOM 0 H SER A 9 -12.244 -4.164 -3.521 1.00 0.00 H new ATOM 0 HA SER A 9 -9.572 -3.921 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.429 -4.754 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.871 -5.735 -4.257 1.00 0.00 H new ATOM 0 HG SER A 9 -9.303 -3.281 -5.646 1.00 0.00 H new ATOM 99 N LEU A 10 -9.636 -1.553 -2.947 1.00 0.00 N ATOM 100 CA LEU A 10 -9.675 -0.135 -3.263 1.00 0.00 C ATOM 101 C LEU A 10 -8.309 0.302 -3.796 1.00 0.00 C ATOM 102 O LEU A 10 -7.297 -0.342 -3.524 1.00 0.00 O ATOM 103 CB LEU A 10 -10.149 0.671 -2.052 1.00 0.00 C ATOM 104 CG LEU A 10 -11.126 -0.040 -1.113 1.00 0.00 C ATOM 105 CD1 LEU A 10 -12.176 -0.821 -1.905 1.00 0.00 C ATOM 106 CD2 LEU A 10 -10.380 -0.931 -0.118 1.00 0.00 C ATOM 0 H LEU A 10 -9.041 -1.797 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.402 0.060 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.274 0.970 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.622 1.585 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.655 0.717 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.858 -1.317 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.737 -0.135 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.682 -1.568 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.098 -1.425 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.808 -1.683 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.702 -0.321 0.480 1.00 0.00 H new ATOM 118 N THR A 11 -8.324 1.394 -4.547 1.00 0.00 N ATOM 119 CA THR A 11 -7.100 1.925 -5.121 1.00 0.00 C ATOM 120 C THR A 11 -6.670 3.193 -4.381 1.00 0.00 C ATOM 121 O THR A 11 -7.507 4.020 -4.021 1.00 0.00 O ATOM 122 CB THR A 11 -7.335 2.144 -6.617 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.192 1.070 -6.994 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.069 1.920 -7.447 1.00 0.00 C ATOM 0 H THR A 11 -9.165 1.925 -4.771 1.00 0.00 H new ATOM 0 HA THR A 11 -6.273 1.224 -5.007 1.00 0.00 H new ATOM 0 HB THR A 11 -7.703 3.156 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.397 1.135 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.290 2.088 -8.501 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.294 2.615 -7.124 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.719 0.897 -7.308 1.00 0.00 H new ATOM 132 N LEU A 12 -5.366 3.308 -4.177 1.00 0.00 N ATOM 133 CA LEU A 12 -4.815 4.462 -3.487 1.00 0.00 C ATOM 134 C LEU A 12 -3.518 4.891 -4.174 1.00 0.00 C ATOM 135 O LEU A 12 -2.678 4.053 -4.501 1.00 0.00 O ATOM 136 CB LEU A 12 -4.652 4.166 -1.994 1.00 0.00 C ATOM 137 CG LEU A 12 -5.045 2.758 -1.543 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.827 1.833 -1.511 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.770 2.796 -0.196 1.00 0.00 C ATOM 0 H LEU A 12 -4.675 2.621 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.502 5.306 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.610 4.336 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.249 4.885 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.743 2.348 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.134 0.838 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.391 1.771 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.088 2.229 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.038 1.782 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.115 3.234 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.674 3.399 -0.286 1.00 0.00 H new ATOM 151 N VAL A 13 -3.394 6.195 -4.374 1.00 0.00 N ATOM 152 CA VAL A 13 -2.213 6.744 -5.017 1.00 0.00 C ATOM 153 C VAL A 13 -1.259 7.280 -3.948 1.00 0.00 C ATOM 154 O VAL A 13 -1.597 8.212 -3.220 1.00 0.00 O ATOM 155 CB VAL A 13 -2.621 7.806 -6.041 1.00 0.00 C ATOM 156 CG1 VAL A 13 -1.416 8.648 -6.467 1.00 0.00 C ATOM 157 CG2 VAL A 13 -3.300 7.166 -7.253 1.00 0.00 C ATOM 0 H VAL A 13 -4.092 6.887 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.682 5.968 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.342 8.471 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.733 9.395 -7.195 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.994 9.147 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.661 8.002 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.580 7.942 -7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.612 6.468 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.193 6.631 -6.930 1.00 0.00 H new ATOM 167 N LEU A 14 -0.085 6.669 -3.888 1.00 0.00 N ATOM 168 CA LEU A 14 0.921 7.072 -2.921 1.00 0.00 C ATOM 169 C LEU A 14 2.063 7.787 -3.646 1.00 0.00 C ATOM 170 O LEU A 14 2.293 7.552 -4.832 1.00 0.00 O ATOM 171 CB LEU A 14 1.377 5.872 -2.089 1.00 0.00 C ATOM 172 CG LEU A 14 0.264 5.001 -1.502 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.845 3.818 -0.725 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.690 5.836 -0.645 1.00 0.00 C ATOM 0 H LEU A 14 0.192 5.897 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 14 0.501 7.782 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.013 5.243 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.996 6.237 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.319 4.590 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.033 3.215 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.451 3.206 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.466 4.188 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.472 5.194 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.136 6.295 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.143 6.615 -1.258 1.00 0.00 H new ATOM 186 N HIS A 15 2.747 8.645 -2.905 1.00 0.00 N ATOM 187 CA HIS A 15 3.860 9.396 -3.463 1.00 0.00 C ATOM 188 C HIS A 15 5.091 9.226 -2.571 1.00 0.00 C ATOM 189 O HIS A 15 5.029 8.560 -1.539 1.00 0.00 O ATOM 190 CB HIS A 15 3.475 10.862 -3.671 1.00 0.00 C ATOM 191 CG HIS A 15 2.557 11.095 -4.847 1.00 0.00 C ATOM 192 ND1 HIS A 15 3.005 11.574 -6.065 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.212 10.909 -4.977 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.968 11.669 -6.885 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.858 11.257 -6.208 1.00 0.00 N ATOM 0 H HIS A 15 2.553 8.838 -1.922 1.00 0.00 H new ATOM 0 HA HIS A 15 4.112 9.004 -4.448 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.991 11.232 -2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.383 11.449 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.548 10.541 -4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.997 12.012 -7.909 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.089 11.222 -6.586 1.00 0.00 H new ATOM 268 N LEU A 21 7.405 7.025 1.401 1.00 0.00 N ATOM 269 CA LEU A 21 6.079 6.759 0.870 1.00 0.00 C ATOM 270 C LEU A 21 5.031 7.395 1.785 1.00 0.00 C ATOM 271 O LEU A 21 3.975 7.824 1.321 1.00 0.00 O ATOM 272 CB LEU A 21 5.879 5.257 0.656 1.00 0.00 C ATOM 273 CG LEU A 21 6.269 4.718 -0.721 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.374 5.305 -1.814 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.753 4.959 -1.005 1.00 0.00 C ATOM 0 HA LEU A 21 5.963 7.216 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.457 4.723 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.829 5.022 0.832 1.00 0.00 H new ATOM 0 HG LEU A 21 6.112 3.639 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.673 4.905 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.336 5.039 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.475 6.390 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.003 4.566 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.960 6.029 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.355 4.454 -0.249 1.00 0.00 H new ATOM 287 N GLY A 22 5.358 7.435 3.068 1.00 0.00 N ATOM 288 CA GLY A 22 4.458 8.011 4.052 1.00 0.00 C ATOM 289 C GLY A 22 3.849 6.925 4.942 1.00 0.00 C ATOM 290 O GLY A 22 2.800 7.131 5.549 1.00 0.00 O ATOM 0 H GLY A 22 6.234 7.078 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.999 8.730 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.663 8.559 3.546 1.00 0.00 H new ATOM 294 N PHE A 23 4.535 5.792 4.990 1.00 0.00 N ATOM 295 CA PHE A 23 4.075 4.673 5.794 1.00 0.00 C ATOM 296 C PHE A 23 5.167 3.610 5.930 1.00 0.00 C ATOM 297 O PHE A 23 6.321 3.853 5.581 1.00 0.00 O ATOM 298 CB PHE A 23 2.874 4.063 5.068 1.00 0.00 C ATOM 299 CG PHE A 23 3.252 3.131 3.916 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.115 3.554 2.954 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.724 1.879 3.853 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.466 2.688 1.884 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.074 1.013 2.783 1.00 0.00 C ATOM 304 CZ PHE A 23 3.938 1.436 1.821 1.00 0.00 C ATOM 0 H PHE A 23 5.406 5.625 4.485 1.00 0.00 H new ATOM 0 HA PHE A 23 3.813 5.017 6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.271 3.509 5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.249 4.868 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.534 4.548 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.038 1.543 4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.152 3.024 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.654 0.019 2.733 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.205 0.778 1.007 1.00 0.00 H new ATOM 314 N ASN A 24 4.764 2.455 6.439 1.00 0.00 N ATOM 315 CA ASN A 24 5.694 1.354 6.625 1.00 0.00 C ATOM 316 C ASN A 24 5.004 0.040 6.252 1.00 0.00 C ATOM 317 O ASN A 24 3.800 0.017 6.001 1.00 0.00 O ATOM 318 CB ASN A 24 6.145 1.254 8.084 1.00 0.00 C ATOM 319 CG ASN A 24 7.641 0.952 8.176 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.487 1.810 7.988 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.920 -0.314 8.475 1.00 0.00 N ATOM 0 H ASN A 24 3.806 2.258 6.728 1.00 0.00 H new ATOM 0 HA ASN A 24 6.562 1.535 5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.927 2.189 8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.581 0.471 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.891 -0.616 8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.163 -0.982 8.620 1.00 0.00 H new ATOM 328 N ILE A 25 5.796 -1.021 6.228 1.00 0.00 N ATOM 329 CA ILE A 25 5.277 -2.335 5.891 1.00 0.00 C ATOM 330 C ILE A 25 5.843 -3.369 6.866 1.00 0.00 C ATOM 331 O ILE A 25 6.799 -3.089 7.588 1.00 0.00 O ATOM 332 CB ILE A 25 5.554 -2.660 4.421 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.876 -2.041 3.963 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.383 -2.232 3.535 1.00 0.00 C ATOM 335 CD1 ILE A 25 7.225 -2.484 2.541 1.00 0.00 C ATOM 0 H ILE A 25 6.794 -0.997 6.437 1.00 0.00 H new ATOM 0 HA ILE A 25 4.193 -2.355 6.000 1.00 0.00 H new ATOM 0 HB ILE A 25 5.653 -3.741 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.806 -0.954 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.674 -2.333 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.606 -2.474 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.481 -2.759 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.227 -1.158 3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.169 -2.030 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.319 -3.570 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.436 -2.169 1.858 1.00 0.00 H new ATOM 347 N ILE A 26 5.229 -4.543 6.857 1.00 0.00 N ATOM 348 CA ILE A 26 5.660 -5.620 7.732 1.00 0.00 C ATOM 349 C ILE A 26 5.984 -6.856 6.890 1.00 0.00 C ATOM 350 O ILE A 26 5.613 -6.930 5.720 1.00 0.00 O ATOM 351 CB ILE A 26 4.617 -5.875 8.822 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.333 -6.456 8.227 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.350 -4.605 9.632 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.157 -6.287 9.191 1.00 0.00 C ATOM 0 H ILE A 26 4.436 -4.772 6.257 1.00 0.00 H new ATOM 0 HA ILE A 26 6.574 -5.342 8.257 1.00 0.00 H new ATOM 0 HB ILE A 26 5.017 -6.619 9.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.108 -5.960 7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.477 -7.513 8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.605 -4.813 10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.275 -4.273 10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.980 -3.822 8.970 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.257 -6.708 8.744 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.375 -6.805 10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.001 -5.227 9.392 1.00 0.00 H new ATOM 555 N GLY A 42 2.927 -12.209 2.598 1.00 0.00 N ATOM 556 CA GLY A 42 1.927 -11.171 2.415 1.00 0.00 C ATOM 557 C GLY A 42 2.449 -9.816 2.900 1.00 0.00 C ATOM 558 O GLY A 42 3.226 -9.750 3.851 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.655 -11.104 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.021 -11.433 2.962 1.00 0.00 H new ATOM 562 N ILE A 43 2.000 -8.769 2.223 1.00 0.00 N ATOM 563 CA ILE A 43 2.412 -7.420 2.572 1.00 0.00 C ATOM 564 C ILE A 43 1.258 -6.706 3.278 1.00 0.00 C ATOM 565 O ILE A 43 0.114 -6.774 2.830 1.00 0.00 O ATOM 566 CB ILE A 43 2.929 -6.681 1.336 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.960 -7.525 0.584 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.480 -5.304 1.712 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.054 -8.026 1.529 1.00 0.00 C ATOM 0 H ILE A 43 1.355 -8.828 1.435 1.00 0.00 H new ATOM 0 HA ILE A 43 3.247 -7.445 3.272 1.00 0.00 H new ATOM 0 HB ILE A 43 2.090 -6.519 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.465 -8.374 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.407 -6.933 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.841 -4.799 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.690 -4.709 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.302 -5.421 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.773 -8.623 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.563 -7.174 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.606 -8.638 2.312 1.00 0.00 H new ATOM 581 N PHE A 44 1.598 -6.037 4.370 1.00 0.00 N ATOM 582 CA PHE A 44 0.604 -5.311 5.143 1.00 0.00 C ATOM 583 C PHE A 44 1.170 -3.986 5.657 1.00 0.00 C ATOM 584 O PHE A 44 2.380 -3.766 5.617 1.00 0.00 O ATOM 585 CB PHE A 44 0.235 -6.192 6.338 1.00 0.00 C ATOM 586 CG PHE A 44 -0.530 -7.463 5.962 1.00 0.00 C ATOM 587 CD1 PHE A 44 0.142 -8.547 5.491 1.00 0.00 C ATOM 588 CD2 PHE A 44 -1.882 -7.508 6.099 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.567 -9.726 5.142 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.592 -8.687 5.750 1.00 0.00 C ATOM 591 CZ PHE A 44 -1.920 -9.772 5.279 1.00 0.00 C ATOM 0 H PHE A 44 2.548 -5.982 4.738 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.262 -5.088 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.147 -6.472 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.369 -5.609 7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.216 -8.511 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.416 -6.647 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.033 -10.587 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.666 -8.722 5.858 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.460 -10.669 5.014 1.00 0.00 H new ATOM 601 N VAL A 45 0.268 -3.137 6.127 1.00 0.00 N ATOM 602 CA VAL A 45 0.662 -1.839 6.648 1.00 0.00 C ATOM 603 C VAL A 45 0.467 -1.822 8.165 1.00 0.00 C ATOM 604 O VAL A 45 -0.657 -1.934 8.651 1.00 0.00 O ATOM 605 CB VAL A 45 -0.113 -0.730 5.933 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.229 0.642 6.517 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.145 -0.765 4.426 1.00 0.00 C ATOM 0 H VAL A 45 -0.734 -3.323 6.158 1.00 0.00 H new ATOM 0 HA VAL A 45 1.719 -1.655 6.454 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.176 -0.907 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.335 1.412 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.030 0.662 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.296 0.831 6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.418 0.033 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.209 -0.626 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.173 -1.727 4.025 1.00 0.00 H new ATOM 617 N SER A 46 1.579 -1.682 8.872 1.00 0.00 N ATOM 618 CA SER A 46 1.545 -1.650 10.324 1.00 0.00 C ATOM 619 C SER A 46 1.803 -0.226 10.822 1.00 0.00 C ATOM 620 O SER A 46 1.731 0.038 12.021 1.00 0.00 O ATOM 621 CB SER A 46 2.570 -2.615 10.921 1.00 0.00 C ATOM 622 OG SER A 46 2.547 -2.604 12.346 1.00 0.00 O ATOM 0 H SER A 46 2.510 -1.589 8.465 1.00 0.00 H new ATOM 0 HA SER A 46 0.555 -1.968 10.650 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.369 -3.625 10.563 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.567 -2.346 10.572 1.00 0.00 H new ATOM 0 HG SER A 46 2.224 -1.734 12.661 1.00 0.00 H new ATOM 628 N LYS A 47 2.098 0.653 9.876 1.00 0.00 N ATOM 629 CA LYS A 47 2.367 2.043 10.203 1.00 0.00 C ATOM 630 C LYS A 47 1.985 2.926 9.014 1.00 0.00 C ATOM 631 O LYS A 47 1.993 2.472 7.871 1.00 0.00 O ATOM 632 CB LYS A 47 3.819 2.215 10.656 1.00 0.00 C ATOM 633 CG LYS A 47 3.917 3.205 11.818 1.00 0.00 C ATOM 634 CD LYS A 47 4.874 4.351 11.483 1.00 0.00 C ATOM 635 CE LYS A 47 5.044 5.291 12.679 1.00 0.00 C ATOM 636 NZ LYS A 47 6.422 5.209 13.211 1.00 0.00 N ATOM 0 H LYS A 47 2.157 0.430 8.882 1.00 0.00 H new ATOM 0 HA LYS A 47 1.754 2.362 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.226 1.250 10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.425 2.567 9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.929 3.606 12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.263 2.688 12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.844 3.947 11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.493 4.910 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.825 6.315 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.330 5.028 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.520 5.853 14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.619 4.235 13.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.097 5.482 12.469 1.00 0.00 H new ATOM 650 N ILE A 48 1.659 4.172 9.324 1.00 0.00 N ATOM 651 CA ILE A 48 1.274 5.123 8.295 1.00 0.00 C ATOM 652 C ILE A 48 1.598 6.541 8.770 1.00 0.00 C ATOM 653 O ILE A 48 1.065 6.998 9.780 1.00 0.00 O ATOM 654 CB ILE A 48 -0.191 4.925 7.903 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.376 3.633 7.104 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.728 6.145 7.152 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.794 3.537 6.538 1.00 0.00 C ATOM 0 H ILE A 48 1.654 4.545 10.273 1.00 0.00 H new ATOM 0 HA ILE A 48 1.849 4.952 7.385 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.778 4.825 8.816 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.348 3.598 6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.177 2.774 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.771 5.978 6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.653 7.026 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.142 6.301 6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.899 2.610 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.514 3.548 7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.981 4.385 5.879 1.00 0.00 H new ATOM 669 N VAL A 49 2.469 7.198 8.019 1.00 0.00 N ATOM 670 CA VAL A 49 2.870 8.555 8.351 1.00 0.00 C ATOM 671 C VAL A 49 1.691 9.502 8.117 1.00 0.00 C ATOM 672 O VAL A 49 1.177 9.596 7.003 1.00 0.00 O ATOM 673 CB VAL A 49 4.116 8.943 7.552 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.587 10.351 7.922 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.235 7.920 7.752 1.00 0.00 C ATOM 0 H VAL A 49 2.909 6.816 7.182 1.00 0.00 H new ATOM 0 HA VAL A 49 3.141 8.626 9.404 1.00 0.00 H new ATOM 0 HB VAL A 49 3.850 8.946 6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.474 10.603 7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.795 11.068 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.828 10.387 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.109 8.219 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.499 7.871 8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.896 6.940 7.417 1.00 0.00 H new ATOM 685 N ASP A 50 1.296 10.180 9.185 1.00 0.00 N ATOM 686 CA ASP A 50 0.188 11.116 9.110 1.00 0.00 C ATOM 687 C ASP A 50 0.522 12.216 8.100 1.00 0.00 C ATOM 688 O ASP A 50 -0.166 12.368 7.092 1.00 0.00 O ATOM 689 CB ASP A 50 -0.066 11.779 10.465 1.00 0.00 C ATOM 690 CG ASP A 50 -1.521 11.749 10.937 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.388 11.461 10.085 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.732 12.016 12.140 1.00 0.00 O ATOM 0 H ASP A 50 1.724 10.099 10.107 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.701 10.562 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.554 11.287 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.262 12.817 10.412 1.00 0.00 H new ATOM 697 N SER A 51 1.579 12.954 8.407 1.00 0.00 N ATOM 698 CA SER A 51 2.013 14.036 7.539 1.00 0.00 C ATOM 699 C SER A 51 2.455 13.475 6.185 1.00 0.00 C ATOM 700 O SER A 51 2.650 14.228 5.232 1.00 0.00 O ATOM 701 CB SER A 51 3.151 14.833 8.179 1.00 0.00 C ATOM 702 OG SER A 51 2.916 16.238 8.122 1.00 0.00 O ATOM 0 H SER A 51 2.147 12.824 9.244 1.00 0.00 H new ATOM 0 HA SER A 51 1.171 14.712 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.268 14.527 9.219 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.087 14.601 7.671 1.00 0.00 H new ATOM 0 HG SER A 51 3.664 16.712 8.542 1.00 0.00 H new ATOM 708 N GLY A 52 2.599 12.159 6.144 1.00 0.00 N ATOM 709 CA GLY A 52 3.014 11.489 4.924 1.00 0.00 C ATOM 710 C GLY A 52 1.929 11.586 3.849 1.00 0.00 C ATOM 711 O GLY A 52 0.753 11.763 4.164 1.00 0.00 O ATOM 0 H GLY A 52 2.436 11.538 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.937 11.936 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.229 10.442 5.135 1.00 0.00 H new ATOM 715 N PRO A 53 2.374 11.462 2.570 1.00 0.00 N ATOM 716 CA PRO A 53 1.454 11.533 1.448 1.00 0.00 C ATOM 717 C PRO A 53 0.637 10.245 1.325 1.00 0.00 C ATOM 718 O PRO A 53 -0.221 10.131 0.451 1.00 0.00 O ATOM 719 CB PRO A 53 2.332 11.797 0.236 1.00 0.00 C ATOM 720 CG PRO A 53 3.741 11.403 0.648 1.00 0.00 C ATOM 721 CD PRO A 53 3.759 11.251 2.160 1.00 0.00 C ATOM 0 HA PRO A 53 0.710 12.321 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.999 11.214 -0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.289 12.846 -0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.032 10.469 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.457 12.161 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.113 10.263 2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.425 11.979 2.623 1.00 0.00 H new ATOM 729 N ALA A 54 0.933 9.308 2.214 1.00 0.00 N ATOM 730 CA ALA A 54 0.237 8.032 2.216 1.00 0.00 C ATOM 731 C ALA A 54 -1.061 8.166 3.014 1.00 0.00 C ATOM 732 O ALA A 54 -2.081 7.582 2.650 1.00 0.00 O ATOM 733 CB ALA A 54 1.159 6.949 2.779 1.00 0.00 C ATOM 0 H ALA A 54 1.645 9.407 2.938 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.029 7.738 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.637 5.992 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.053 6.874 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.445 7.208 3.798 1.00 0.00 H new ATOM 739 N ALA A 55 -0.981 8.938 4.088 1.00 0.00 N ATOM 740 CA ALA A 55 -2.138 9.156 4.941 1.00 0.00 C ATOM 741 C ALA A 55 -2.882 10.408 4.473 1.00 0.00 C ATOM 742 O ALA A 55 -4.112 10.431 4.450 1.00 0.00 O ATOM 743 CB ALA A 55 -1.685 9.257 6.398 1.00 0.00 C ATOM 0 H ALA A 55 -0.133 9.420 4.387 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.830 8.317 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.552 9.420 7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.188 8.332 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.992 10.091 6.506 1.00 0.00 H new ATOM 749 N LYS A 56 -2.106 11.419 4.111 1.00 0.00 N ATOM 750 CA LYS A 56 -2.676 12.671 3.645 1.00 0.00 C ATOM 751 C LYS A 56 -3.680 12.384 2.527 1.00 0.00 C ATOM 752 O LYS A 56 -4.883 12.306 2.772 1.00 0.00 O ATOM 753 CB LYS A 56 -1.569 13.647 3.242 1.00 0.00 C ATOM 754 CG LYS A 56 -1.158 14.527 4.425 1.00 0.00 C ATOM 755 CD LYS A 56 -2.160 15.664 4.637 1.00 0.00 C ATOM 756 CE LYS A 56 -2.726 15.637 6.058 1.00 0.00 C ATOM 757 NZ LYS A 56 -2.097 16.690 6.887 1.00 0.00 N ATOM 0 H LYS A 56 -1.086 11.396 4.131 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.225 13.162 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.704 13.092 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.913 14.274 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.094 13.921 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.165 14.941 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.673 16.622 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.973 15.577 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.805 15.785 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.551 14.659 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.493 16.658 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.070 16.531 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.286 17.622 6.466 1.00 0.00 H new ATOM 771 N GLU A 57 -3.149 12.236 1.322 1.00 0.00 N ATOM 772 CA GLU A 57 -3.983 11.960 0.165 1.00 0.00 C ATOM 773 C GLU A 57 -3.907 10.477 -0.203 1.00 0.00 C ATOM 774 O GLU A 57 -4.849 9.925 -0.770 1.00 0.00 O ATOM 775 CB GLU A 57 -3.584 12.840 -1.022 1.00 0.00 C ATOM 776 CG GLU A 57 -3.825 14.319 -0.713 1.00 0.00 C ATOM 777 CD GLU A 57 -5.265 14.720 -1.042 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.784 14.196 -2.051 1.00 0.00 O ATOM 779 OE2 GLU A 57 -5.814 15.542 -0.277 1.00 0.00 O ATOM 0 H GLU A 57 -2.151 12.302 1.122 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.015 12.199 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.532 12.681 -1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.157 12.551 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.621 14.512 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.132 14.932 -1.289 1.00 0.00 H new ATOM 786 N GLY A 58 -2.777 9.873 0.136 1.00 0.00 N ATOM 787 CA GLY A 58 -2.566 8.465 -0.151 1.00 0.00 C ATOM 788 C GLY A 58 -3.883 7.689 -0.090 1.00 0.00 C ATOM 789 O GLY A 58 -4.328 7.134 -1.094 1.00 0.00 O ATOM 0 H GLY A 58 -1.998 10.334 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.120 8.355 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.860 8.046 0.566 1.00 0.00 H new ATOM 793 N GLY A 59 -4.471 7.676 1.097 1.00 0.00 N ATOM 794 CA GLY A 59 -5.728 6.978 1.302 1.00 0.00 C ATOM 795 C GLY A 59 -5.499 5.621 1.971 1.00 0.00 C ATOM 796 O GLY A 59 -6.442 4.858 2.175 1.00 0.00 O ATOM 0 H GLY A 59 -4.100 8.138 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.389 7.585 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.229 6.836 0.345 1.00 0.00 H new ATOM 800 N LEU A 60 -4.241 5.361 2.295 1.00 0.00 N ATOM 801 CA LEU A 60 -3.876 4.110 2.937 1.00 0.00 C ATOM 802 C LEU A 60 -4.466 4.074 4.348 1.00 0.00 C ATOM 803 O LEU A 60 -4.932 5.093 4.855 1.00 0.00 O ATOM 804 CB LEU A 60 -2.359 3.911 2.899 1.00 0.00 C ATOM 805 CG LEU A 60 -1.865 2.480 3.121 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.684 1.483 2.298 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.367 2.366 2.833 1.00 0.00 C ATOM 0 H LEU A 60 -3.461 5.996 2.125 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.299 3.265 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.991 4.255 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.909 4.551 3.658 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.011 2.228 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.312 0.474 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.731 1.541 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.592 1.724 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.042 1.339 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.173 2.646 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.183 3.032 3.498 1.00 0.00 H new ATOM 819 N GLN A 61 -4.427 2.891 4.942 1.00 0.00 N ATOM 820 CA GLN A 61 -4.952 2.709 6.284 1.00 0.00 C ATOM 821 C GLN A 61 -4.218 1.567 6.991 1.00 0.00 C ATOM 822 O GLN A 61 -4.103 0.469 6.449 1.00 0.00 O ATOM 823 CB GLN A 61 -6.460 2.456 6.253 1.00 0.00 C ATOM 824 CG GLN A 61 -7.142 3.055 7.485 1.00 0.00 C ATOM 825 CD GLN A 61 -7.882 1.977 8.280 1.00 0.00 C ATOM 826 OE1 GLN A 61 -7.301 1.219 9.039 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.195 1.952 8.065 1.00 0.00 N ATOM 0 H GLN A 61 -4.039 2.048 4.518 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.783 3.627 6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.887 2.891 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.652 1.384 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.397 3.534 8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.843 3.830 7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.618 2.615 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.778 1.269 8.549 1.00 0.00 H new ATOM 836 N ILE A 62 -3.741 1.866 8.190 1.00 0.00 N ATOM 837 CA ILE A 62 -3.022 0.878 8.977 1.00 0.00 C ATOM 838 C ILE A 62 -3.800 -0.440 8.967 1.00 0.00 C ATOM 839 O ILE A 62 -5.020 -0.444 8.806 1.00 0.00 O ATOM 840 CB ILE A 62 -2.739 1.414 10.381 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.730 2.564 10.336 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.285 0.291 11.316 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.065 2.765 11.699 1.00 0.00 C ATOM 0 H ILE A 62 -3.838 2.778 8.636 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.046 0.676 8.535 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.668 1.815 10.786 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.969 2.356 9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.234 3.482 10.034 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.090 0.700 12.308 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.067 -0.466 11.382 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.374 -0.162 10.925 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.353 3.588 11.639 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.826 2.997 12.444 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.542 1.853 11.987 1.00 0.00 H new ATOM 855 N HIS A 63 -3.063 -1.527 9.143 1.00 0.00 N ATOM 856 CA HIS A 63 -3.668 -2.847 9.156 1.00 0.00 C ATOM 857 C HIS A 63 -4.349 -3.114 7.812 1.00 0.00 C ATOM 858 O HIS A 63 -5.485 -3.583 7.770 1.00 0.00 O ATOM 859 CB HIS A 63 -4.622 -2.996 10.343 1.00 0.00 C ATOM 860 CG HIS A 63 -4.009 -2.627 11.673 1.00 0.00 C ATOM 861 ND1 HIS A 63 -2.761 -3.072 12.072 1.00 0.00 N ATOM 862 CD2 HIS A 63 -4.485 -1.852 12.690 1.00 0.00 C ATOM 863 CE1 HIS A 63 -2.507 -2.581 13.277 1.00 0.00 C ATOM 864 NE2 HIS A 63 -3.577 -1.826 13.658 1.00 0.00 N ATOM 0 H HIS A 63 -2.052 -1.520 9.278 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.894 -3.603 9.288 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.498 -2.371 10.172 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.970 -4.028 10.389 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.439 -1.346 12.705 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.610 -2.749 13.855 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.665 -1.324 14.541 1.00 0.00 H new ATOM 872 N ASP A 64 -3.625 -2.803 6.747 1.00 0.00 N ATOM 873 CA ASP A 64 -4.144 -3.003 5.405 1.00 0.00 C ATOM 874 C ASP A 64 -3.170 -3.874 4.610 1.00 0.00 C ATOM 875 O ASP A 64 -1.955 -3.712 4.719 1.00 0.00 O ATOM 876 CB ASP A 64 -4.296 -1.671 4.669 1.00 0.00 C ATOM 877 CG ASP A 64 -5.625 -0.950 4.904 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.246 -1.232 5.951 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.989 -0.132 4.031 1.00 0.00 O ATOM 0 H ASP A 64 -2.683 -2.414 6.786 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.120 -3.482 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.483 -1.011 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.180 -1.849 3.600 1.00 0.00 H new ATOM 884 N ARG A 65 -3.738 -4.780 3.827 1.00 0.00 N ATOM 885 CA ARG A 65 -2.934 -5.676 3.014 1.00 0.00 C ATOM 886 C ARG A 65 -2.840 -5.152 1.580 1.00 0.00 C ATOM 887 O ARG A 65 -3.849 -5.054 0.883 1.00 0.00 O ATOM 888 CB ARG A 65 -3.529 -7.086 2.996 1.00 0.00 C ATOM 889 CG ARG A 65 -2.489 -8.115 2.549 1.00 0.00 C ATOM 890 CD ARG A 65 -3.151 -9.450 2.205 1.00 0.00 C ATOM 891 NE ARG A 65 -2.499 -10.048 1.019 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.941 -11.147 0.393 1.00 0.00 C ATOM 893 NH1 ARG A 65 -4.039 -11.775 0.836 1.00 0.00 N ATOM 894 NH2 ARG A 65 -2.286 -11.618 -0.677 1.00 0.00 N ATOM 0 H ARG A 65 -4.745 -4.912 3.739 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.938 -5.719 3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.895 -7.342 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.386 -7.114 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.949 -7.738 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.755 -8.263 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.077 -10.131 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.213 -9.299 2.009 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.661 -9.595 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.538 -11.416 1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.375 -12.612 0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.451 -11.140 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.623 -12.455 -1.153 1.00 0.00 H new ATOM 908 N ILE A 66 -1.618 -4.827 1.182 1.00 0.00 N ATOM 909 CA ILE A 66 -1.379 -4.314 -0.157 1.00 0.00 C ATOM 910 C ILE A 66 -1.580 -5.440 -1.173 1.00 0.00 C ATOM 911 O ILE A 66 -1.130 -6.565 -0.956 1.00 0.00 O ATOM 912 CB ILE A 66 -0.003 -3.651 -0.238 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.324 -2.905 1.057 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.095 -2.741 -1.464 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.379 -1.823 0.816 1.00 0.00 C ATOM 0 H ILE A 66 -0.784 -4.909 1.763 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.099 -3.533 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 66 0.747 -4.433 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.582 -2.451 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.686 -3.610 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.083 -2.282 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.063 -3.330 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.665 -1.962 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.593 -1.308 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.292 -2.283 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.005 -1.106 0.085 1.00 0.00 H new ATOM 927 N ILE A 67 -2.256 -5.100 -2.260 1.00 0.00 N ATOM 928 CA ILE A 67 -2.523 -6.068 -3.310 1.00 0.00 C ATOM 929 C ILE A 67 -1.573 -5.816 -4.483 1.00 0.00 C ATOM 930 O ILE A 67 -0.924 -6.740 -4.970 1.00 0.00 O ATOM 931 CB ILE A 67 -4.002 -6.042 -3.700 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.877 -5.658 -2.506 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.429 -7.374 -4.320 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.952 -6.801 -1.491 1.00 0.00 C ATOM 0 H ILE A 67 -2.627 -4.167 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.329 -7.080 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.141 -5.274 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.473 -4.767 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.880 -5.407 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.485 -7.329 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.835 -7.566 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.272 -8.177 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.580 -6.502 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.379 -7.683 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.950 -7.033 -1.130 1.00 0.00 H new ATOM 946 N GLU A 68 -1.521 -4.560 -4.902 1.00 0.00 N ATOM 947 CA GLU A 68 -0.661 -4.175 -6.008 1.00 0.00 C ATOM 948 C GLU A 68 -0.090 -2.776 -5.774 1.00 0.00 C ATOM 949 O GLU A 68 -0.698 -1.960 -5.083 1.00 0.00 O ATOM 950 CB GLU A 68 -1.415 -4.244 -7.338 1.00 0.00 C ATOM 951 CG GLU A 68 -0.711 -5.185 -8.318 1.00 0.00 C ATOM 952 CD GLU A 68 -1.474 -6.505 -8.455 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.449 -7.278 -7.473 1.00 0.00 O ATOM 954 OE2 GLU A 68 -2.064 -6.710 -9.537 1.00 0.00 O ATOM 0 H GLU A 68 -2.061 -3.796 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 68 0.168 -4.880 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.434 -4.589 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.486 -3.247 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.629 -4.705 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.304 -5.382 -7.973 1.00 0.00 H new ATOM 961 N VAL A 69 1.074 -2.540 -6.363 1.00 0.00 N ATOM 962 CA VAL A 69 1.734 -1.253 -6.227 1.00 0.00 C ATOM 963 C VAL A 69 2.357 -0.860 -7.568 1.00 0.00 C ATOM 964 O VAL A 69 3.242 -1.550 -8.072 1.00 0.00 O ATOM 965 CB VAL A 69 2.754 -1.306 -5.087 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.164 -1.560 -5.624 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.708 -0.025 -4.251 1.00 0.00 C ATOM 0 H VAL A 69 1.576 -3.219 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 69 1.012 -0.480 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 69 2.488 -2.140 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.869 -1.593 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.185 -2.511 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.444 -0.757 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.442 -0.088 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.937 0.832 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.712 0.095 -3.824 1.00 0.00 H new ATOM 977 N ASN A 70 1.870 0.247 -8.109 1.00 0.00 N ATOM 978 CA ASN A 70 2.368 0.740 -9.382 1.00 0.00 C ATOM 979 C ASN A 70 2.170 -0.335 -10.452 1.00 0.00 C ATOM 980 O ASN A 70 2.784 -0.276 -11.517 1.00 0.00 O ATOM 981 CB ASN A 70 3.862 1.060 -9.303 1.00 0.00 C ATOM 982 CG ASN A 70 4.239 2.167 -10.289 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.414 3.358 -9.723 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.363 1.954 -11.483 1.00 0.00 N flip ATOM 0 H ASN A 70 1.136 0.817 -7.689 1.00 0.00 H new ATOM 0 HA ASN A 70 1.818 1.648 -9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.118 1.368 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.442 0.163 -9.519 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.214 1.015 -11.852 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.616 2.715 -12.113 1.00 0.00 H new ATOM 991 N GLY A 71 1.312 -1.292 -10.133 1.00 0.00 N ATOM 992 CA GLY A 71 1.026 -2.379 -11.054 1.00 0.00 C ATOM 993 C GLY A 71 1.825 -3.632 -10.689 1.00 0.00 C ATOM 994 O GLY A 71 1.710 -4.661 -11.353 1.00 0.00 O ATOM 0 H GLY A 71 0.805 -1.338 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.040 -2.605 -11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.269 -2.072 -12.071 1.00 0.00 H new ATOM 998 N ARG A 72 2.618 -3.503 -9.635 1.00 0.00 N ATOM 999 CA ARG A 72 3.436 -4.612 -9.174 1.00 0.00 C ATOM 1000 C ARG A 72 2.692 -5.409 -8.101 1.00 0.00 C ATOM 1001 O ARG A 72 2.261 -4.850 -7.094 1.00 0.00 O ATOM 1002 CB ARG A 72 4.765 -4.115 -8.602 1.00 0.00 C ATOM 1003 CG ARG A 72 5.947 -4.820 -9.269 1.00 0.00 C ATOM 1004 CD ARG A 72 7.224 -4.651 -8.444 1.00 0.00 C ATOM 1005 NE ARG A 72 8.319 -4.147 -9.302 1.00 0.00 N ATOM 1006 CZ ARG A 72 8.787 -4.792 -10.379 1.00 0.00 C ATOM 1007 NH1 ARG A 72 8.259 -5.971 -10.736 1.00 0.00 N ATOM 1008 NH2 ARG A 72 9.783 -4.259 -11.099 1.00 0.00 N ATOM 0 H ARG A 72 2.711 -2.648 -9.087 1.00 0.00 H new ATOM 0 HA ARG A 72 3.640 -5.253 -10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.849 -3.038 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.791 -4.292 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.723 -5.880 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.100 -4.414 -10.269 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.046 -3.957 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.509 -5.605 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 72 8.744 -3.252 -9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.501 -6.377 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.615 -6.462 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.185 -3.362 -10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.139 -4.750 -11.919 1.00 0.00 H new ATOM 1022 N ASP A 73 2.564 -6.704 -8.353 1.00 0.00 N ATOM 1023 CA ASP A 73 1.880 -7.584 -7.421 1.00 0.00 C ATOM 1024 C ASP A 73 2.815 -7.909 -6.254 1.00 0.00 C ATOM 1025 O ASP A 73 3.895 -8.462 -6.455 1.00 0.00 O ATOM 1026 CB ASP A 73 1.488 -8.901 -8.094 1.00 0.00 C ATOM 1027 CG ASP A 73 2.597 -9.953 -8.150 1.00 0.00 C ATOM 1028 OD1 ASP A 73 3.699 -9.593 -8.618 1.00 0.00 O ATOM 1029 OD2 ASP A 73 2.318 -11.095 -7.724 1.00 0.00 O ATOM 0 H ASP A 73 2.923 -7.165 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 73 0.981 -7.075 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.634 -9.323 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.158 -8.688 -9.111 1.00 0.00 H new ATOM 1034 N LEU A 74 2.365 -7.552 -5.060 1.00 0.00 N ATOM 1035 CA LEU A 74 3.147 -7.799 -3.861 1.00 0.00 C ATOM 1036 C LEU A 74 2.349 -8.695 -2.912 1.00 0.00 C ATOM 1037 O LEU A 74 2.847 -9.088 -1.858 1.00 0.00 O ATOM 1038 CB LEU A 74 3.592 -6.478 -3.230 1.00 0.00 C ATOM 1039 CG LEU A 74 4.083 -5.403 -4.202 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.345 -4.083 -3.473 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.313 -5.883 -4.976 1.00 0.00 C ATOM 0 H LEU A 74 1.468 -7.094 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 74 4.064 -8.333 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.757 -6.071 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.390 -6.689 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 74 3.295 -5.218 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.693 -3.336 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.423 -3.736 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.106 -4.235 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.641 -5.100 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.116 -6.114 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.059 -6.778 -5.544 1.00 0.00 H new ATOM 1053 N SER A 75 1.124 -8.991 -3.320 1.00 0.00 N ATOM 1054 CA SER A 75 0.252 -9.834 -2.519 1.00 0.00 C ATOM 1055 C SER A 75 1.009 -11.079 -2.055 1.00 0.00 C ATOM 1056 O SER A 75 0.797 -11.562 -0.944 1.00 0.00 O ATOM 1057 CB SER A 75 -0.999 -10.234 -3.303 1.00 0.00 C ATOM 1058 OG SER A 75 -0.766 -10.249 -4.709 1.00 0.00 O ATOM 0 H SER A 75 0.714 -8.662 -4.194 1.00 0.00 H new ATOM 0 HA SER A 75 -0.066 -9.265 -1.646 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.329 -11.221 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.807 -9.538 -3.077 1.00 0.00 H new ATOM 0 HG SER A 75 -1.588 -10.511 -5.174 1.00 0.00 H new ATOM 1064 N ARG A 76 1.877 -11.565 -2.930 1.00 0.00 N ATOM 1065 CA ARG A 76 2.667 -12.746 -2.625 1.00 0.00 C ATOM 1066 C ARG A 76 4.147 -12.376 -2.499 1.00 0.00 C ATOM 1067 O ARG A 76 5.019 -13.229 -2.656 1.00 0.00 O ATOM 1068 CB ARG A 76 2.506 -13.813 -3.709 1.00 0.00 C ATOM 1069 CG ARG A 76 2.868 -13.254 -5.086 1.00 0.00 C ATOM 1070 CD ARG A 76 3.128 -14.383 -6.085 1.00 0.00 C ATOM 1071 NE ARG A 76 4.405 -15.059 -5.764 1.00 0.00 N ATOM 1072 CZ ARG A 76 4.944 -16.037 -6.505 1.00 0.00 C ATOM 1073 NH1 ARG A 76 4.320 -16.460 -7.613 1.00 0.00 N ATOM 1074 NH2 ARG A 76 6.106 -16.593 -6.137 1.00 0.00 N ATOM 0 H ARG A 76 2.051 -11.162 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 76 2.307 -13.150 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.143 -14.668 -3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.478 -14.175 -3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.059 -12.621 -5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.754 -12.624 -5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.309 -15.102 -6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.164 -13.982 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 76 4.906 -14.762 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.435 -16.038 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.730 -17.204 -8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.580 -16.272 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.516 -17.337 -6.701 1.00 0.00 H new ATOM 1088 N ALA A 77 4.384 -11.104 -2.216 1.00 0.00 N ATOM 1089 CA ALA A 77 5.743 -10.611 -2.068 1.00 0.00 C ATOM 1090 C ALA A 77 6.062 -10.450 -0.580 1.00 0.00 C ATOM 1091 O ALA A 77 5.174 -10.556 0.264 1.00 0.00 O ATOM 1092 CB ALA A 77 5.898 -9.300 -2.842 1.00 0.00 C ATOM 0 H ALA A 77 3.658 -10.400 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 77 6.457 -11.322 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.917 -8.930 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.688 -9.474 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.199 -8.561 -2.450 1.00 0.00 H new ATOM 1098 N THR A 78 7.334 -10.197 -0.305 1.00 0.00 N ATOM 1099 CA THR A 78 7.781 -10.021 1.066 1.00 0.00 C ATOM 1100 C THR A 78 8.138 -8.556 1.327 1.00 0.00 C ATOM 1101 O THR A 78 8.240 -7.763 0.392 1.00 0.00 O ATOM 1102 CB THR A 78 8.946 -10.983 1.310 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.365 -10.690 2.641 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.169 -10.651 0.453 1.00 0.00 C ATOM 0 H THR A 78 8.068 -10.110 -1.008 1.00 0.00 H new ATOM 0 HA THR A 78 6.988 -10.261 1.775 1.00 0.00 H new ATOM 0 HB THR A 78 8.624 -12.003 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.117 -11.270 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.966 -11.364 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.901 -10.710 -0.602 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.513 -9.643 0.684 1.00 0.00 H new ATOM 1112 N HIS A 79 8.318 -8.242 2.601 1.00 0.00 N ATOM 1113 CA HIS A 79 8.662 -6.886 2.996 1.00 0.00 C ATOM 1114 C HIS A 79 9.831 -6.385 2.146 1.00 0.00 C ATOM 1115 O HIS A 79 9.808 -5.256 1.658 1.00 0.00 O ATOM 1116 CB HIS A 79 8.946 -6.814 4.498 1.00 0.00 C ATOM 1117 CG HIS A 79 9.417 -5.459 4.968 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.716 -4.335 5.294 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.755 -5.150 5.148 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.578 -3.392 5.654 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.843 -3.895 5.564 1.00 0.00 N flip ATOM 0 H HIS A 79 8.232 -8.903 3.373 1.00 0.00 H new ATOM 0 HA HIS A 79 7.816 -6.224 2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.040 -7.082 5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.701 -7.558 4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.586 -5.819 4.978 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.320 -2.391 5.967 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.705 -3.393 5.779 1.00 0.00 H new ATOM 1129 N ASP A 80 10.824 -7.248 1.995 1.00 0.00 N ATOM 1130 CA ASP A 80 12.000 -6.907 1.213 1.00 0.00 C ATOM 1131 C ASP A 80 11.566 -6.466 -0.187 1.00 0.00 C ATOM 1132 O ASP A 80 11.958 -5.399 -0.655 1.00 0.00 O ATOM 1133 CB ASP A 80 12.930 -8.112 1.062 1.00 0.00 C ATOM 1134 CG ASP A 80 14.203 -8.057 1.910 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.162 -7.366 2.951 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.188 -8.707 1.498 1.00 0.00 O ATOM 0 H ASP A 80 10.839 -8.184 2.401 1.00 0.00 H new ATOM 0 HA ASP A 80 12.529 -6.107 1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.376 -9.014 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.214 -8.204 0.014 1.00 0.00 H new ATOM 1141 N GLN A 81 10.761 -7.311 -0.815 1.00 0.00 N ATOM 1142 CA GLN A 81 10.270 -7.023 -2.151 1.00 0.00 C ATOM 1143 C GLN A 81 9.381 -5.777 -2.133 1.00 0.00 C ATOM 1144 O GLN A 81 9.570 -4.864 -2.934 1.00 0.00 O ATOM 1145 CB GLN A 81 9.519 -8.224 -2.730 1.00 0.00 C ATOM 1146 CG GLN A 81 10.491 -9.240 -3.333 1.00 0.00 C ATOM 1147 CD GLN A 81 9.942 -9.815 -4.640 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.029 -9.213 -5.698 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.374 -11.011 -4.509 1.00 0.00 N ATOM 0 H GLN A 81 10.437 -8.195 -0.423 1.00 0.00 H new ATOM 0 HA GLN A 81 11.126 -6.826 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.929 -8.700 -1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.820 -7.886 -3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.453 -8.763 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.667 -10.047 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.335 -11.459 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.978 -11.479 -5.324 1.00 0.00 H new ATOM 1158 N ALA A 82 8.431 -5.781 -1.209 1.00 0.00 N ATOM 1159 CA ALA A 82 7.513 -4.663 -1.075 1.00 0.00 C ATOM 1160 C ALA A 82 8.309 -3.356 -1.044 1.00 0.00 C ATOM 1161 O ALA A 82 8.028 -2.436 -1.810 1.00 0.00 O ATOM 1162 CB ALA A 82 6.655 -4.853 0.177 1.00 0.00 C ATOM 0 H ALA A 82 8.277 -6.541 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 82 6.837 -4.617 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.966 -4.014 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.088 -5.780 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.299 -4.901 1.055 1.00 0.00 H new ATOM 1168 N VAL A 83 9.286 -3.317 -0.150 1.00 0.00 N ATOM 1169 CA VAL A 83 10.124 -2.138 -0.008 1.00 0.00 C ATOM 1170 C VAL A 83 10.692 -1.755 -1.376 1.00 0.00 C ATOM 1171 O VAL A 83 10.515 -0.627 -1.832 1.00 0.00 O ATOM 1172 CB VAL A 83 11.208 -2.390 1.041 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.346 -1.376 0.908 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.620 -2.372 2.453 1.00 0.00 C ATOM 0 H VAL A 83 9.516 -4.083 0.483 1.00 0.00 H new ATOM 0 HA VAL A 83 9.537 -1.292 0.349 1.00 0.00 H new ATOM 0 HB VAL A 83 11.621 -3.383 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.103 -1.578 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.793 -1.458 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.954 -0.369 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.412 -2.554 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.167 -1.400 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.861 -3.150 2.541 1.00 0.00 H new ATOM 1184 N GLU A 84 11.365 -2.717 -1.992 1.00 0.00 N ATOM 1185 CA GLU A 84 11.961 -2.494 -3.298 1.00 0.00 C ATOM 1186 C GLU A 84 10.897 -2.025 -4.294 1.00 0.00 C ATOM 1187 O GLU A 84 11.146 -1.126 -5.095 1.00 0.00 O ATOM 1188 CB GLU A 84 12.665 -3.755 -3.802 1.00 0.00 C ATOM 1189 CG GLU A 84 13.120 -3.587 -5.253 1.00 0.00 C ATOM 1190 CD GLU A 84 14.455 -4.295 -5.495 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.436 -3.897 -4.831 1.00 0.00 O ATOM 1192 OE2 GLU A 84 14.464 -5.217 -6.338 1.00 0.00 O ATOM 0 H GLU A 84 11.510 -3.652 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 84 12.713 -1.711 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.526 -3.972 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.990 -4.608 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.363 -3.992 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.219 -2.527 -5.486 1.00 0.00 H new ATOM 1199 N ALA A 85 9.735 -2.657 -4.211 1.00 0.00 N ATOM 1200 CA ALA A 85 8.634 -2.316 -5.094 1.00 0.00 C ATOM 1201 C ALA A 85 8.325 -0.823 -4.965 1.00 0.00 C ATOM 1202 O ALA A 85 8.293 -0.103 -5.962 1.00 0.00 O ATOM 1203 CB ALA A 85 7.424 -3.192 -4.764 1.00 0.00 C ATOM 0 H ALA A 85 9.533 -3.403 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 85 8.902 -2.508 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.598 -2.936 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.686 -4.241 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.125 -3.024 -3.729 1.00 0.00 H new ATOM 1209 N PHE A 86 8.105 -0.402 -3.728 1.00 0.00 N ATOM 1210 CA PHE A 86 7.800 0.993 -3.455 1.00 0.00 C ATOM 1211 C PHE A 86 9.010 1.885 -3.741 1.00 0.00 C ATOM 1212 O PHE A 86 8.856 3.066 -4.047 1.00 0.00 O ATOM 1213 CB PHE A 86 7.448 1.091 -1.970 1.00 0.00 C ATOM 1214 CG PHE A 86 6.001 0.714 -1.646 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.990 1.571 -1.951 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.726 -0.479 -1.054 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.647 1.221 -1.651 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.383 -0.829 -0.754 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.372 0.028 -1.059 1.00 0.00 C ATOM 0 H PHE A 86 8.132 -1.002 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 86 6.979 1.326 -4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.117 0.441 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.632 2.110 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.209 2.518 -2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.529 -1.160 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.844 1.902 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.164 -1.776 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.351 -0.239 -0.831 1.00 0.00 H new ATOM 1229 N LYS A 87 10.186 1.285 -3.631 1.00 0.00 N ATOM 1230 CA LYS A 87 11.421 2.010 -3.874 1.00 0.00 C ATOM 1231 C LYS A 87 11.568 2.272 -5.375 1.00 0.00 C ATOM 1232 O LYS A 87 11.928 3.374 -5.784 1.00 0.00 O ATOM 1233 CB LYS A 87 12.609 1.266 -3.261 1.00 0.00 C ATOM 1234 CG LYS A 87 13.395 2.174 -2.314 1.00 0.00 C ATOM 1235 CD LYS A 87 14.884 1.819 -2.323 1.00 0.00 C ATOM 1236 CE LYS A 87 15.499 1.999 -0.934 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.715 2.840 -1.011 1.00 0.00 N ATOM 0 H LYS A 87 10.310 0.305 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 87 11.394 2.982 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.253 0.390 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.265 0.906 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.264 3.215 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.001 2.078 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.014 0.788 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.408 2.450 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.772 2.460 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.749 1.026 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.120 2.952 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.413 2.385 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.467 3.774 -1.394 1.00 0.00 H new ATOM 1251 N THR A 88 11.280 1.239 -6.154 1.00 0.00 N ATOM 1252 CA THR A 88 11.375 1.343 -7.600 1.00 0.00 C ATOM 1253 C THR A 88 10.062 1.868 -8.184 1.00 0.00 C ATOM 1254 O THR A 88 9.940 2.030 -9.397 1.00 0.00 O ATOM 1255 CB THR A 88 11.779 -0.027 -8.147 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.787 -0.912 -7.635 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.086 -0.539 -7.537 1.00 0.00 C ATOM 0 H THR A 88 10.981 0.326 -5.811 1.00 0.00 H new ATOM 0 HA THR A 88 12.137 2.064 -7.896 1.00 0.00 H new ATOM 0 HB THR A 88 11.882 0.031 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.105 -1.311 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.327 -1.515 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.891 0.162 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.972 -0.629 -6.457 1.00 0.00 H new ATOM 1265 N ALA A 89 9.114 2.119 -7.294 1.00 0.00 N ATOM 1266 CA ALA A 89 7.815 2.622 -7.706 1.00 0.00 C ATOM 1267 C ALA A 89 7.961 4.069 -8.183 1.00 0.00 C ATOM 1268 O ALA A 89 8.811 4.807 -7.687 1.00 0.00 O ATOM 1269 CB ALA A 89 6.824 2.487 -6.548 1.00 0.00 C ATOM 0 H ALA A 89 9.219 1.983 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 89 7.424 2.038 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.849 2.864 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.734 1.438 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.182 3.062 -5.694 1.00 0.00 H new ATOM 1275 N LYS A 90 7.118 4.430 -9.139 1.00 0.00 N ATOM 1276 CA LYS A 90 7.143 5.775 -9.689 1.00 0.00 C ATOM 1277 C LYS A 90 5.801 6.458 -9.413 1.00 0.00 C ATOM 1278 O LYS A 90 4.772 5.794 -9.312 1.00 0.00 O ATOM 1279 CB LYS A 90 7.523 5.742 -11.170 1.00 0.00 C ATOM 1280 CG LYS A 90 9.034 5.903 -11.352 1.00 0.00 C ATOM 1281 CD LYS A 90 9.488 7.308 -10.951 1.00 0.00 C ATOM 1282 CE LYS A 90 9.855 8.138 -12.183 1.00 0.00 C ATOM 1283 NZ LYS A 90 10.060 9.555 -11.811 1.00 0.00 N ATOM 0 H LYS A 90 6.414 3.815 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 90 7.913 6.372 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.198 4.800 -11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.002 6.539 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.558 5.162 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.301 5.714 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.693 7.806 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.348 7.240 -10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.762 7.741 -12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.063 8.062 -12.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.308 10.104 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.185 9.935 -11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.831 9.623 -11.116 1.00 0.00 H new ATOM 1297 N GLU A 91 5.858 7.777 -9.301 1.00 0.00 N ATOM 1298 CA GLU A 91 4.660 8.558 -9.040 1.00 0.00 C ATOM 1299 C GLU A 91 4.002 8.978 -10.356 1.00 0.00 C ATOM 1300 O GLU A 91 4.690 9.331 -11.313 1.00 0.00 O ATOM 1301 CB GLU A 91 4.979 9.777 -8.173 1.00 0.00 C ATOM 1302 CG GLU A 91 6.092 9.462 -7.172 1.00 0.00 C ATOM 1303 CD GLU A 91 7.401 10.143 -7.576 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.541 11.343 -7.252 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.233 9.449 -8.199 1.00 0.00 O ATOM 0 H GLU A 91 6.714 8.325 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 91 3.957 7.934 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.281 10.610 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.083 10.092 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.796 9.795 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.241 8.384 -7.116 1.00 0.00 H new ATOM 1312 N PRO A 92 2.643 8.924 -10.362 1.00 0.00 N ATOM 1313 CA PRO A 92 1.906 8.494 -9.186 1.00 0.00 C ATOM 1314 C PRO A 92 2.000 6.978 -9.004 1.00 0.00 C ATOM 1315 O PRO A 92 2.027 6.232 -9.982 1.00 0.00 O ATOM 1316 CB PRO A 92 0.483 8.978 -9.415 1.00 0.00 C ATOM 1317 CG PRO A 92 0.370 9.249 -10.907 1.00 0.00 C ATOM 1318 CD PRO A 92 1.776 9.269 -11.485 1.00 0.00 C ATOM 0 HA PRO A 92 2.310 8.908 -8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.241 8.227 -9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.280 9.880 -8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.231 8.479 -11.391 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.130 10.201 -11.085 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.879 8.553 -12.300 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.024 10.250 -11.890 1.00 0.00 H new ATOM 1326 N ILE A 93 2.046 6.567 -7.745 1.00 0.00 N ATOM 1327 CA ILE A 93 2.136 5.153 -7.422 1.00 0.00 C ATOM 1328 C ILE A 93 0.737 4.613 -7.124 1.00 0.00 C ATOM 1329 O ILE A 93 0.132 4.968 -6.114 1.00 0.00 O ATOM 1330 CB ILE A 93 3.138 4.926 -6.288 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.494 5.553 -6.619 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.260 3.437 -5.956 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.253 5.923 -5.344 1.00 0.00 C ATOM 0 H ILE A 93 2.023 7.189 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 93 2.520 4.591 -8.273 1.00 0.00 H new ATOM 0 HB ILE A 93 2.763 5.426 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.087 4.855 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.347 6.443 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.978 3.302 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.288 3.052 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.601 2.894 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.213 6.367 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.668 6.640 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.419 5.027 -4.747 1.00 0.00 H new ATOM 1345 N VAL A 94 0.262 3.762 -8.023 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.055 3.169 -7.869 1.00 0.00 C ATOM 1347 C VAL A 94 -0.957 1.951 -6.948 1.00 0.00 C ATOM 1348 O VAL A 94 -0.376 0.932 -7.321 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.642 2.835 -9.242 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.025 2.194 -9.106 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.700 4.079 -10.131 1.00 0.00 C ATOM 0 H VAL A 94 0.766 3.470 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.740 3.876 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.983 2.111 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.420 1.967 -10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.944 1.274 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.698 2.885 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.121 3.814 -11.101 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.326 4.835 -9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.694 4.475 -10.268 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.534 2.096 -5.764 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.518 1.020 -4.788 1.00 0.00 C ATOM 1363 C VAL A 95 -2.954 0.574 -4.504 1.00 0.00 C ATOM 1364 O VAL A 95 -3.887 1.370 -4.606 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.771 1.466 -3.529 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.100 0.336 -2.979 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.064 2.719 -3.803 1.00 0.00 C ATOM 0 H VAL A 95 -2.015 2.942 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.980 0.157 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.512 1.716 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.620 0.680 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.528 -0.518 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.830 0.040 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.585 3.015 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.793 2.507 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.590 3.529 -4.127 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.087 -0.697 -4.154 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.393 -1.258 -3.855 1.00 0.00 C ATOM 1379 C GLN A 96 -4.338 -2.069 -2.558 1.00 0.00 C ATOM 1380 O GLN A 96 -3.324 -2.696 -2.256 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.901 -2.115 -5.016 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.034 -3.038 -4.563 1.00 0.00 C ATOM 1383 CD GLN A 96 -6.989 -3.341 -5.719 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -7.895 -2.392 -5.935 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -6.910 -4.369 -6.371 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.311 -1.354 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.097 -0.437 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.253 -1.470 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.082 -2.710 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.618 -3.968 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.583 -2.571 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.190 -5.057 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.564 -4.540 -7.135 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.442 -2.031 -1.827 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.533 -2.754 -0.570 1.00 0.00 C ATOM 1396 C VAL A 97 -6.844 -3.542 -0.533 1.00 0.00 C ATOM 1397 O VAL A 97 -7.745 -3.291 -1.331 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.385 -1.784 0.604 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -4.084 -0.986 0.495 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.594 -0.851 0.700 1.00 0.00 C ATOM 0 H VAL A 97 -6.282 -1.511 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.719 -3.474 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.342 -2.372 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.003 -0.304 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.236 -1.671 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.085 -0.414 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.464 -0.172 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.683 -0.274 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.498 -1.441 0.847 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.909 -4.478 0.403 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.094 -5.303 0.554 1.00 0.00 C ATOM 1412 C LEU A 98 -8.764 -4.985 1.893 1.00 0.00 C ATOM 1413 O LEU A 98 -8.264 -5.371 2.948 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.744 -6.782 0.379 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.362 -7.479 -0.835 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -8.173 -6.642 -2.102 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.809 -8.896 -0.996 1.00 0.00 C ATOM 0 H LEU A 98 -6.160 -4.683 1.064 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.818 -5.076 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.660 -6.873 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.054 -7.317 1.277 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.435 -7.571 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.621 -7.160 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.654 -5.673 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.109 -6.497 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.265 -9.368 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.728 -8.852 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.039 -9.480 -0.105 1.00 0.00 H new