USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 HIS : no HD1:sc= -0.48 X(o=-0.47,f=-0.47) USER MOD Set 1.3: B 116 THR OG1 : rot 93:sc= 0.0147 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= 1.18 (180deg=-0.868) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 25:sc= -7.6! USER MOD Single : A 26 SER OG : rot 86:sc= -1.46 USER MOD Single : A 28 SER OG : rot 180:sc= -0.459 USER MOD Single : A 33 GLN : amide:sc= -0.97 K(o=-0.97,f=-3.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 49:sc= 0.16 USER MOD Single : A 41 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.179 (180deg=-0.311) USER MOD Single : A 46 SER OG : rot -71:sc= -0.351 USER MOD Single : A 48 SER OG : rot 70:sc= -1.36 USER MOD Single : A 58 GLN : amide:sc= -0.91 K(o=-0.91,f=-2.4!) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.195 F(o=-1.2,f=0.19) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -107:sc= 0.959 (180deg=-0.0236) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 10 -2.854 -1.569 -14.695 1.00 0.00 N ATOM 26 CA GLU A 10 -1.797 -0.902 -13.944 1.00 0.00 C ATOM 27 C GLU A 10 -2.126 0.574 -13.742 1.00 0.00 C ATOM 28 O GLU A 10 -2.267 1.326 -14.706 1.00 0.00 O ATOM 29 CB GLU A 10 -0.458 -1.044 -14.673 1.00 0.00 C ATOM 30 CG GLU A 10 0.439 -2.126 -14.094 1.00 0.00 C ATOM 31 CD GLU A 10 1.291 -2.803 -15.148 1.00 0.00 C ATOM 32 OE1 GLU A 10 1.878 -2.088 -15.987 1.00 0.00 O ATOM 33 OE2 GLU A 10 1.373 -4.050 -15.136 1.00 0.00 O ATOM 0 HA GLU A 10 -1.722 -1.377 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.648 -1.265 -15.723 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.068 -0.090 -14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.087 -1.688 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.177 -2.874 -13.594 1.00 0.00 H new ATOM 40 N LYS A 11 -2.250 0.982 -12.482 1.00 0.00 N ATOM 41 CA LYS A 11 -2.567 2.373 -12.162 1.00 0.00 C ATOM 42 C LYS A 11 -1.311 3.144 -11.757 1.00 0.00 C ATOM 43 O LYS A 11 -0.698 2.860 -10.728 1.00 0.00 O ATOM 44 CB LYS A 11 -3.607 2.440 -11.041 1.00 0.00 C ATOM 45 CG LYS A 11 -4.162 3.836 -10.808 1.00 0.00 C ATOM 46 CD LYS A 11 -5.448 3.796 -9.999 1.00 0.00 C ATOM 47 CE LYS A 11 -5.170 3.898 -8.508 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.302 5.297 -8.013 1.00 0.00 N ATOM 0 H LYS A 11 -2.137 0.375 -11.670 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.980 2.837 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.430 1.766 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.156 2.078 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.421 4.441 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.349 4.319 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.098 4.615 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.982 2.869 -10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.862 3.254 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.164 3.533 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.407 5.597 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.528 5.927 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.064 5.345 -7.307 1.00 0.00 H new ATOM 62 N LYS A 12 -0.936 4.125 -12.570 1.00 0.00 N ATOM 63 CA LYS A 12 0.245 4.935 -12.294 1.00 0.00 C ATOM 64 C LYS A 12 -0.098 6.110 -11.382 1.00 0.00 C ATOM 65 O LYS A 12 -1.170 6.706 -11.499 1.00 0.00 O ATOM 66 CB LYS A 12 0.853 5.449 -13.600 1.00 0.00 C ATOM 67 CG LYS A 12 2.328 5.800 -13.486 1.00 0.00 C ATOM 68 CD LYS A 12 2.950 6.038 -14.853 1.00 0.00 C ATOM 69 CE LYS A 12 4.361 5.475 -14.932 1.00 0.00 C ATOM 70 NZ LYS A 12 4.510 4.506 -16.053 1.00 0.00 N ATOM 0 H LYS A 12 -1.432 4.379 -13.425 1.00 0.00 H new ATOM 0 HA LYS A 12 0.974 4.305 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.727 4.691 -14.373 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.302 6.331 -13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.444 6.693 -12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.857 4.993 -12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.330 5.576 -15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.972 7.108 -15.062 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.071 6.292 -15.061 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.609 4.983 -13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.485 4.145 -16.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.850 3.714 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.298 4.982 -16.953 1.00 0.00 H new ATOM 84 N VAL A 13 0.817 6.437 -10.477 1.00 0.00 N ATOM 85 CA VAL A 13 0.613 7.541 -9.546 1.00 0.00 C ATOM 86 C VAL A 13 1.936 8.209 -9.185 1.00 0.00 C ATOM 87 O VAL A 13 3.003 7.612 -9.322 1.00 0.00 O ATOM 88 CB VAL A 13 -0.076 7.068 -8.253 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.453 8.255 -7.381 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.303 6.230 -8.577 1.00 0.00 C ATOM 0 H VAL A 13 1.708 5.953 -10.368 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.031 8.262 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 13 0.627 6.447 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.939 7.899 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.446 8.813 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.137 8.905 -7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.777 5.905 -7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.009 6.826 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.005 5.357 -9.158 1.00 0.00 H new ATOM 100 N PHE A 14 1.855 9.451 -8.718 1.00 0.00 N ATOM 101 CA PHE A 14 3.045 10.203 -8.333 1.00 0.00 C ATOM 102 C PHE A 14 2.779 11.028 -7.078 1.00 0.00 C ATOM 103 O PHE A 14 1.936 11.925 -7.079 1.00 0.00 O ATOM 104 CB PHE A 14 3.488 11.119 -9.474 1.00 0.00 C ATOM 105 CG PHE A 14 2.467 12.159 -9.841 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.450 11.865 -10.733 1.00 0.00 C ATOM 107 CD2 PHE A 14 2.528 13.429 -9.294 1.00 0.00 C ATOM 108 CE1 PHE A 14 0.510 12.817 -11.072 1.00 0.00 C ATOM 109 CE2 PHE A 14 1.590 14.388 -9.629 1.00 0.00 C ATOM 110 CZ PHE A 14 0.579 14.082 -10.519 1.00 0.00 C ATOM 0 H PHE A 14 0.978 9.958 -8.597 1.00 0.00 H new ATOM 0 HA PHE A 14 3.842 9.491 -8.120 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.415 11.616 -9.190 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.708 10.512 -10.352 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.391 10.879 -11.169 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.317 13.674 -8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.279 12.574 -11.769 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.648 15.375 -9.195 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.155 14.829 -10.782 1.00 0.00 H new ATOM 120 N ILE A 15 3.502 10.717 -6.007 1.00 0.00 N ATOM 121 CA ILE A 15 3.342 11.429 -4.744 1.00 0.00 C ATOM 122 C ILE A 15 4.469 12.434 -4.531 1.00 0.00 C ATOM 123 O ILE A 15 5.641 12.126 -4.754 1.00 0.00 O ATOM 124 CB ILE A 15 3.303 10.453 -3.552 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.243 9.375 -3.782 1.00 0.00 C ATOM 126 CG2 ILE A 15 3.028 11.205 -2.257 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.835 9.920 -3.881 1.00 0.00 C ATOM 0 H ILE A 15 4.204 9.977 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 15 2.393 11.962 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 15 4.276 9.969 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.480 8.835 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.288 8.654 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.004 10.501 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.816 11.939 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.067 11.714 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.137 9.098 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.578 10.436 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.773 10.619 -4.715 1.00 0.00 H new ATOM 139 N SER A 16 4.107 13.637 -4.094 1.00 0.00 N ATOM 140 CA SER A 16 5.085 14.689 -3.845 1.00 0.00 C ATOM 141 C SER A 16 4.746 15.453 -2.569 1.00 0.00 C ATOM 142 O SER A 16 3.604 15.871 -2.370 1.00 0.00 O ATOM 143 CB SER A 16 5.143 15.653 -5.032 1.00 0.00 C ATOM 144 OG SER A 16 4.659 15.037 -6.214 1.00 0.00 O ATOM 0 H SER A 16 3.142 13.907 -3.905 1.00 0.00 H new ATOM 0 HA SER A 16 6.062 14.222 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.551 16.541 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.170 15.985 -5.185 1.00 0.00 H new ATOM 0 HG SER A 16 4.705 15.674 -6.957 1.00 0.00 H new ATOM 234 N LEU A 23 1.548 12.150 2.449 1.00 0.00 N ATOM 235 CA LEU A 23 0.755 11.439 1.458 1.00 0.00 C ATOM 236 C LEU A 23 -0.733 11.516 1.794 1.00 0.00 C ATOM 237 O LEU A 23 -1.523 12.079 1.036 1.00 0.00 O ATOM 238 CB LEU A 23 1.210 9.978 1.379 1.00 0.00 C ATOM 239 CG LEU A 23 0.209 9.005 0.756 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.067 9.267 -0.736 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.636 7.568 1.011 1.00 0.00 C ATOM 0 HA LEU A 23 0.906 11.912 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.136 9.935 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.444 9.634 2.387 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.763 9.162 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.650 8.565 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.285 10.286 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.034 9.138 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.087 6.888 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.618 7.397 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.684 7.388 2.085 1.00 0.00 H new ATOM 253 N GLY A 24 -1.109 10.938 2.931 1.00 0.00 N ATOM 254 CA GLY A 24 -2.500 10.943 3.343 1.00 0.00 C ATOM 255 C GLY A 24 -3.124 9.562 3.288 1.00 0.00 C ATOM 256 O GLY A 24 -4.342 9.427 3.173 1.00 0.00 O ATOM 0 H GLY A 24 -0.474 10.466 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.574 11.332 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.064 11.619 2.701 1.00 0.00 H new ATOM 260 N CYS A 25 -2.283 8.533 3.363 1.00 0.00 N ATOM 261 CA CYS A 25 -2.754 7.154 3.314 1.00 0.00 C ATOM 262 C CYS A 25 -1.820 6.238 4.100 1.00 0.00 C ATOM 263 O CYS A 25 -0.692 6.613 4.419 1.00 0.00 O ATOM 264 CB CYS A 25 -2.842 6.686 1.859 1.00 0.00 C ATOM 265 SG CYS A 25 -3.770 5.152 1.622 1.00 0.00 S ATOM 0 H CYS A 25 -1.272 8.630 3.458 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.744 7.109 3.767 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.306 7.473 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.832 6.549 1.473 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.616 5.001 2.598 1.00 0.00 H new ATOM 271 N SER A 26 -2.293 5.034 4.407 1.00 0.00 N ATOM 272 CA SER A 26 -1.496 4.070 5.150 1.00 0.00 C ATOM 273 C SER A 26 -1.178 2.860 4.279 1.00 0.00 C ATOM 274 O SER A 26 -1.680 2.744 3.162 1.00 0.00 O ATOM 275 CB SER A 26 -2.236 3.626 6.414 1.00 0.00 C ATOM 276 OG SER A 26 -2.032 4.541 7.475 1.00 0.00 O ATOM 0 H SER A 26 -3.224 4.705 4.152 1.00 0.00 H new ATOM 0 HA SER A 26 -0.561 4.549 5.441 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.302 3.541 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.890 2.636 6.712 1.00 0.00 H new ATOM 0 HG SER A 26 -2.686 5.268 7.411 1.00 0.00 H new ATOM 282 N ILE A 27 -0.341 1.965 4.789 1.00 0.00 N ATOM 283 CA ILE A 27 0.038 0.771 4.045 1.00 0.00 C ATOM 284 C ILE A 27 0.041 -0.462 4.938 1.00 0.00 C ATOM 285 O ILE A 27 0.354 -0.381 6.125 1.00 0.00 O ATOM 286 CB ILE A 27 1.427 0.922 3.391 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.375 1.696 4.311 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.303 1.617 2.043 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.763 1.875 3.731 1.00 0.00 C ATOM 0 H ILE A 27 0.087 2.043 5.712 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.709 0.646 3.261 1.00 0.00 H new ATOM 0 HB ILE A 27 1.844 -0.072 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.947 2.677 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.452 1.173 5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.291 1.717 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.663 1.027 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.866 2.606 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.382 2.431 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.210 0.898 3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.697 2.425 2.792 1.00 0.00 H new ATOM 301 N SER A 28 -0.310 -1.603 4.356 1.00 0.00 N ATOM 302 CA SER A 28 -0.351 -2.859 5.092 1.00 0.00 C ATOM 303 C SER A 28 0.506 -3.915 4.405 1.00 0.00 C ATOM 304 O SER A 28 0.845 -3.785 3.230 1.00 0.00 O ATOM 305 CB SER A 28 -1.793 -3.356 5.216 1.00 0.00 C ATOM 306 OG SER A 28 -2.313 -3.735 3.954 1.00 0.00 O ATOM 0 H SER A 28 -0.571 -1.683 3.373 1.00 0.00 H new ATOM 0 HA SER A 28 0.050 -2.682 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.831 -4.205 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.415 -2.572 5.648 1.00 0.00 H new ATOM 0 HG SER A 28 -3.235 -4.050 4.061 1.00 0.00 H new ATOM 312 N SER A 29 0.854 -4.962 5.147 1.00 0.00 N ATOM 313 CA SER A 29 1.673 -6.039 4.605 1.00 0.00 C ATOM 314 C SER A 29 0.821 -7.273 4.327 1.00 0.00 C ATOM 315 O SER A 29 -0.126 -7.563 5.057 1.00 0.00 O ATOM 316 CB SER A 29 2.803 -6.388 5.574 1.00 0.00 C ATOM 317 OG SER A 29 4.014 -5.756 5.197 1.00 0.00 O ATOM 0 H SER A 29 0.582 -5.087 6.122 1.00 0.00 H new ATOM 0 HA SER A 29 2.108 -5.698 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.528 -6.081 6.583 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.945 -7.468 5.597 1.00 0.00 H new ATOM 0 HG SER A 29 4.720 -5.994 5.834 1.00 0.00 H new ATOM 323 N GLY A 30 1.158 -7.988 3.260 1.00 0.00 N ATOM 324 CA GLY A 30 0.409 -9.176 2.896 1.00 0.00 C ATOM 325 C GLY A 30 0.935 -10.432 3.563 1.00 0.00 C ATOM 326 O GLY A 30 1.998 -10.408 4.187 1.00 0.00 O ATOM 0 H GLY A 30 1.937 -7.766 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.637 -9.037 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.443 -9.304 1.814 1.00 0.00 H new ATOM 330 N PRO A 31 0.207 -11.555 3.448 1.00 0.00 N ATOM 331 CA PRO A 31 0.615 -12.830 4.046 1.00 0.00 C ATOM 332 C PRO A 31 1.909 -13.366 3.441 1.00 0.00 C ATOM 333 O PRO A 31 2.642 -12.638 2.773 1.00 0.00 O ATOM 334 CB PRO A 31 -0.555 -13.769 3.731 1.00 0.00 C ATOM 335 CG PRO A 31 -1.238 -13.153 2.559 1.00 0.00 C ATOM 336 CD PRO A 31 -1.069 -11.671 2.720 1.00 0.00 C ATOM 0 HA PRO A 31 0.819 -12.730 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.203 -14.774 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.231 -13.856 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.797 -13.498 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.293 -13.426 2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.030 -11.163 1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.894 -11.230 3.280 1.00 0.00 H new ATOM 344 N ILE A 32 2.181 -14.644 3.683 1.00 0.00 N ATOM 345 CA ILE A 32 3.385 -15.280 3.163 1.00 0.00 C ATOM 346 C ILE A 32 3.196 -15.719 1.715 1.00 0.00 C ATOM 347 O ILE A 32 4.152 -15.776 0.943 1.00 0.00 O ATOM 348 CB ILE A 32 3.783 -16.504 4.011 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.819 -16.137 5.497 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.130 -17.047 3.559 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.997 -17.062 6.368 1.00 0.00 C ATOM 0 H ILE A 32 1.584 -15.259 4.236 1.00 0.00 H new ATOM 0 HA ILE A 32 4.181 -14.537 3.212 1.00 0.00 H new ATOM 0 HB ILE A 32 3.034 -17.283 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.853 -16.150 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.455 -15.117 5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.397 -17.911 4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.069 -17.345 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.890 -16.274 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.069 -16.742 7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.955 -17.031 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.374 -18.080 6.275 1.00 0.00 H new ATOM 363 N GLN A 33 1.955 -16.029 1.353 1.00 0.00 N ATOM 364 CA GLN A 33 1.643 -16.464 -0.002 1.00 0.00 C ATOM 365 C GLN A 33 1.610 -15.278 -0.963 1.00 0.00 C ATOM 366 O GLN A 33 1.904 -15.422 -2.150 1.00 0.00 O ATOM 367 CB GLN A 33 0.299 -17.195 -0.027 1.00 0.00 C ATOM 368 CG GLN A 33 0.355 -18.586 0.585 1.00 0.00 C ATOM 369 CD GLN A 33 0.254 -18.562 2.097 1.00 0.00 C ATOM 370 OE1 GLN A 33 1.230 -18.281 2.791 1.00 0.00 O ATOM 371 NE2 GLN A 33 -0.932 -18.857 2.616 1.00 0.00 N ATOM 0 H GLN A 33 1.151 -15.987 1.979 1.00 0.00 H new ATOM 0 HA GLN A 33 2.427 -17.147 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.440 -16.600 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.044 -17.274 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.457 -19.190 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.288 -19.069 0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.715 -19.084 2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.060 -18.856 3.628 1.00 0.00 H new ATOM 380 N LYS A 34 1.253 -14.108 -0.442 1.00 0.00 N ATOM 381 CA LYS A 34 1.185 -12.901 -1.257 1.00 0.00 C ATOM 382 C LYS A 34 1.683 -11.686 -0.474 1.00 0.00 C ATOM 383 O LYS A 34 0.942 -10.726 -0.261 1.00 0.00 O ATOM 384 CB LYS A 34 -0.248 -12.663 -1.736 1.00 0.00 C ATOM 385 CG LYS A 34 -0.354 -11.628 -2.846 1.00 0.00 C ATOM 386 CD LYS A 34 -1.347 -12.056 -3.915 1.00 0.00 C ATOM 387 CE LYS A 34 -1.591 -10.945 -4.924 1.00 0.00 C ATOM 388 NZ LYS A 34 -0.679 -11.048 -6.096 1.00 0.00 N ATOM 0 H LYS A 34 1.007 -13.971 0.538 1.00 0.00 H new ATOM 0 HA LYS A 34 1.831 -13.041 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.666 -13.606 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.856 -12.341 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.662 -10.671 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.626 -11.476 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.971 -12.940 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.290 -12.337 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.626 -10.985 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.452 -9.978 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.878 -10.272 -6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.308 -10.984 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.829 -11.960 -6.574 1.00 0.00 H new ATOM 402 N PRO A 35 2.953 -11.714 -0.033 1.00 0.00 N ATOM 403 CA PRO A 35 3.548 -10.614 0.730 1.00 0.00 C ATOM 404 C PRO A 35 3.881 -9.413 -0.150 1.00 0.00 C ATOM 405 O PRO A 35 4.218 -9.565 -1.323 1.00 0.00 O ATOM 406 CB PRO A 35 4.827 -11.233 1.293 1.00 0.00 C ATOM 407 CG PRO A 35 5.201 -12.283 0.306 1.00 0.00 C ATOM 408 CD PRO A 35 3.906 -12.822 -0.242 1.00 0.00 C ATOM 0 HA PRO A 35 2.870 -10.229 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.616 -10.488 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.659 -11.660 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.818 -11.867 -0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.783 -13.074 0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.994 -13.081 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.593 -13.724 0.283 1.00 0.00 H new ATOM 416 N GLY A 36 3.783 -8.219 0.426 1.00 0.00 N ATOM 417 CA GLY A 36 4.076 -7.010 -0.320 1.00 0.00 C ATOM 418 C GLY A 36 3.492 -5.771 0.331 1.00 0.00 C ATOM 419 O GLY A 36 2.787 -5.865 1.335 1.00 0.00 O ATOM 0 H GLY A 36 3.506 -8.068 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.156 -6.895 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.681 -7.106 -1.331 1.00 0.00 H new ATOM 423 N ILE A 37 3.786 -4.609 -0.243 1.00 0.00 N ATOM 424 CA ILE A 37 3.285 -3.347 0.287 1.00 0.00 C ATOM 425 C ILE A 37 1.904 -3.029 -0.276 1.00 0.00 C ATOM 426 O ILE A 37 1.750 -2.794 -1.474 1.00 0.00 O ATOM 427 CB ILE A 37 4.238 -2.179 -0.033 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.691 -2.593 0.209 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.882 -0.962 0.807 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.988 -2.942 1.651 1.00 0.00 C ATOM 0 H ILE A 37 4.369 -4.516 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 37 3.220 -3.463 1.369 1.00 0.00 H new ATOM 0 HB ILE A 37 4.127 -1.917 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.925 -3.452 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.348 -1.781 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.563 -0.145 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.859 -0.656 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.968 -1.212 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.036 -3.226 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.786 -2.078 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.356 -3.774 1.961 1.00 0.00 H new ATOM 442 N PHE A 38 0.902 -3.025 0.596 1.00 0.00 N ATOM 443 CA PHE A 38 -0.466 -2.739 0.185 1.00 0.00 C ATOM 444 C PHE A 38 -0.918 -1.373 0.684 1.00 0.00 C ATOM 445 O PHE A 38 -0.196 -0.699 1.418 1.00 0.00 O ATOM 446 CB PHE A 38 -1.409 -3.829 0.696 1.00 0.00 C ATOM 447 CG PHE A 38 -1.012 -5.206 0.250 1.00 0.00 C ATOM 448 CD1 PHE A 38 0.075 -5.847 0.825 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.718 -5.855 -0.749 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.449 -7.111 0.409 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.349 -7.118 -1.166 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.264 -7.747 -0.587 1.00 0.00 C ATOM 0 H PHE A 38 1.012 -3.217 1.592 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.496 -2.725 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.433 -3.799 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.421 -3.618 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.635 -5.354 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.566 -5.368 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.298 -7.600 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.909 -7.614 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.026 -8.735 -0.913 1.00 0.00 H new ATOM 462 N ILE A 39 -2.112 -0.967 0.268 1.00 0.00 N ATOM 463 CA ILE A 39 -2.658 0.325 0.659 1.00 0.00 C ATOM 464 C ILE A 39 -3.795 0.167 1.666 1.00 0.00 C ATOM 465 O ILE A 39 -4.684 -0.667 1.496 1.00 0.00 O ATOM 466 CB ILE A 39 -3.164 1.106 -0.576 1.00 0.00 C ATOM 467 CG1 ILE A 39 -1.979 1.625 -1.394 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.070 2.259 -0.162 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.225 2.752 -0.720 1.00 0.00 C ATOM 0 H ILE A 39 -2.720 -1.515 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.852 0.887 1.131 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.749 0.425 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.291 0.801 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.340 1.969 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.411 2.791 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.931 1.868 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.517 2.944 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.399 3.069 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.899 3.593 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.833 2.407 0.237 1.00 0.00 H new ATOM 481 N SER A 40 -3.755 0.986 2.709 1.00 0.00 N ATOM 482 CA SER A 40 -4.773 0.963 3.752 1.00 0.00 C ATOM 483 C SER A 40 -5.692 2.175 3.625 1.00 0.00 C ATOM 484 O SER A 40 -5.649 2.895 2.628 1.00 0.00 O ATOM 485 CB SER A 40 -4.119 0.941 5.134 1.00 0.00 C ATOM 486 OG SER A 40 -5.093 0.888 6.162 1.00 0.00 O ATOM 0 H SER A 40 -3.022 1.680 2.856 1.00 0.00 H new ATOM 0 HA SER A 40 -5.369 0.058 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.457 0.079 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.501 1.830 5.261 1.00 0.00 H new ATOM 0 HG SER A 40 -5.741 0.181 5.962 1.00 0.00 H new ATOM 492 N HIS A 41 -6.526 2.392 4.639 1.00 0.00 N ATOM 493 CA HIS A 41 -7.461 3.516 4.643 1.00 0.00 C ATOM 494 C HIS A 41 -6.779 4.809 4.197 1.00 0.00 C ATOM 495 O HIS A 41 -5.569 4.970 4.355 1.00 0.00 O ATOM 496 CB HIS A 41 -8.060 3.699 6.039 1.00 0.00 C ATOM 497 CG HIS A 41 -9.366 2.989 6.229 1.00 0.00 C ATOM 498 ND1 HIS A 41 -9.485 1.614 6.208 1.00 0.00 N ATOM 499 CD2 HIS A 41 -10.614 3.470 6.443 1.00 0.00 C ATOM 500 CE1 HIS A 41 -10.750 1.281 6.402 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.453 2.389 6.547 1.00 0.00 N ATOM 0 H HIS A 41 -6.574 1.803 5.471 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.258 3.290 3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.348 3.337 6.781 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -8.204 4.763 6.227 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.896 4.510 6.518 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.141 0.275 6.436 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -12.459 2.434 6.710 1.00 0.00 H new ATOM 510 N VAL A 42 -7.565 5.724 3.637 1.00 0.00 N ATOM 511 CA VAL A 42 -7.036 7.000 3.163 1.00 0.00 C ATOM 512 C VAL A 42 -7.790 8.171 3.782 1.00 0.00 C ATOM 513 O VAL A 42 -8.929 8.022 4.226 1.00 0.00 O ATOM 514 CB VAL A 42 -7.117 7.115 1.628 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.168 8.192 1.124 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.819 5.777 0.966 1.00 0.00 C ATOM 0 H VAL A 42 -8.569 5.606 3.500 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.990 7.035 3.468 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.134 7.401 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.238 8.260 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.439 9.151 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.146 7.938 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.883 5.885 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.816 5.451 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.545 5.036 1.300 1.00 0.00 H new ATOM 526 N LYS A 43 -7.151 9.335 3.803 1.00 0.00 N ATOM 527 CA LYS A 43 -7.763 10.536 4.363 1.00 0.00 C ATOM 528 C LYS A 43 -7.857 11.638 3.310 1.00 0.00 C ATOM 529 O LYS A 43 -6.925 11.842 2.532 1.00 0.00 O ATOM 530 CB LYS A 43 -6.959 11.031 5.567 1.00 0.00 C ATOM 531 CG LYS A 43 -5.474 11.186 5.284 1.00 0.00 C ATOM 532 CD LYS A 43 -4.767 11.919 6.412 1.00 0.00 C ATOM 533 CE LYS A 43 -4.582 13.393 6.090 1.00 0.00 C ATOM 534 NZ LYS A 43 -5.884 14.079 5.866 1.00 0.00 N ATOM 0 H LYS A 43 -6.208 9.473 3.439 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.771 10.282 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.361 11.991 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.092 10.333 6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.024 10.203 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.335 11.731 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.343 11.816 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.795 11.460 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.051 13.880 6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.960 13.495 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.736 15.108 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.285 13.774 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.542 13.835 6.634 1.00 0.00 H new ATOM 548 N PRO A 44 -8.986 12.369 3.270 1.00 0.00 N ATOM 549 CA PRO A 44 -9.186 13.454 2.304 1.00 0.00 C ATOM 550 C PRO A 44 -8.268 14.642 2.569 1.00 0.00 C ATOM 551 O PRO A 44 -7.812 14.847 3.694 1.00 0.00 O ATOM 552 CB PRO A 44 -10.651 13.851 2.509 1.00 0.00 C ATOM 553 CG PRO A 44 -10.967 13.432 3.903 1.00 0.00 C ATOM 554 CD PRO A 44 -10.149 12.197 4.160 1.00 0.00 C ATOM 0 HA PRO A 44 -8.956 13.139 1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.792 14.924 2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.300 13.353 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.717 14.220 4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.031 13.226 4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.848 12.124 5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.705 11.290 3.924 1.00 0.00 H new ATOM 562 N GLY A 45 -7.998 15.421 1.526 1.00 0.00 N ATOM 563 CA GLY A 45 -7.133 16.577 1.668 1.00 0.00 C ATOM 564 C GLY A 45 -5.671 16.193 1.778 1.00 0.00 C ATOM 565 O GLY A 45 -4.977 16.616 2.703 1.00 0.00 O ATOM 0 H GLY A 45 -8.363 15.272 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.269 17.237 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.426 17.140 2.554 1.00 0.00 H new ATOM 569 N SER A 46 -5.202 15.388 0.830 1.00 0.00 N ATOM 570 CA SER A 46 -3.812 14.943 0.818 1.00 0.00 C ATOM 571 C SER A 46 -3.390 14.530 -0.587 1.00 0.00 C ATOM 572 O SER A 46 -4.116 14.759 -1.555 1.00 0.00 O ATOM 573 CB SER A 46 -3.624 13.773 1.785 1.00 0.00 C ATOM 574 OG SER A 46 -2.402 13.890 2.493 1.00 0.00 O ATOM 0 H SER A 46 -5.765 15.030 0.059 1.00 0.00 H new ATOM 0 HA SER A 46 -3.184 15.774 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.455 13.742 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.640 12.834 1.232 1.00 0.00 H new ATOM 0 HG SER A 46 -1.654 13.713 1.885 1.00 0.00 H new ATOM 580 N LEU A 47 -2.215 13.920 -0.696 1.00 0.00 N ATOM 581 CA LEU A 47 -1.704 13.475 -1.989 1.00 0.00 C ATOM 582 C LEU A 47 -2.400 12.195 -2.436 1.00 0.00 C ATOM 583 O LEU A 47 -2.806 12.069 -3.590 1.00 0.00 O ATOM 584 CB LEU A 47 -0.192 13.250 -1.921 1.00 0.00 C ATOM 585 CG LEU A 47 0.642 14.499 -1.629 1.00 0.00 C ATOM 586 CD1 LEU A 47 0.217 15.653 -2.524 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.522 14.885 -0.162 1.00 0.00 C ATOM 0 H LEU A 47 -1.599 13.722 0.093 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.912 14.257 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.014 12.507 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.139 12.826 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 47 1.687 14.272 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.823 16.530 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.356 15.374 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.834 15.883 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.121 15.775 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.522 15.091 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.881 14.065 0.460 1.00 0.00 H new ATOM 599 N SER A 48 -2.534 11.246 -1.514 1.00 0.00 N ATOM 600 CA SER A 48 -3.183 9.974 -1.813 1.00 0.00 C ATOM 601 C SER A 48 -4.589 10.191 -2.363 1.00 0.00 C ATOM 602 O SER A 48 -4.985 9.569 -3.349 1.00 0.00 O ATOM 603 CB SER A 48 -3.247 9.102 -0.559 1.00 0.00 C ATOM 604 OG SER A 48 -3.534 9.880 0.590 1.00 0.00 O ATOM 0 H SER A 48 -2.202 11.334 -0.554 1.00 0.00 H new ATOM 0 HA SER A 48 -2.589 9.466 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.012 8.336 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.297 8.584 -0.423 1.00 0.00 H new ATOM 0 HG SER A 48 -4.460 10.198 0.547 1.00 0.00 H new ATOM 610 N ALA A 49 -5.339 11.078 -1.719 1.00 0.00 N ATOM 611 CA ALA A 49 -6.700 11.377 -2.143 1.00 0.00 C ATOM 612 C ALA A 49 -6.712 12.060 -3.506 1.00 0.00 C ATOM 613 O ALA A 49 -7.547 11.754 -4.358 1.00 0.00 O ATOM 614 CB ALA A 49 -7.395 12.249 -1.109 1.00 0.00 C ATOM 0 H ALA A 49 -5.027 11.602 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.242 10.435 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.411 12.465 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.427 11.725 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.846 13.183 -0.992 1.00 0.00 H new ATOM 620 N GLU A 50 -5.781 12.988 -3.705 1.00 0.00 N ATOM 621 CA GLU A 50 -5.685 13.716 -4.963 1.00 0.00 C ATOM 622 C GLU A 50 -5.427 12.764 -6.128 1.00 0.00 C ATOM 623 O GLU A 50 -5.989 12.927 -7.211 1.00 0.00 O ATOM 624 CB GLU A 50 -4.570 14.762 -4.886 1.00 0.00 C ATOM 625 CG GLU A 50 -5.050 16.129 -4.428 1.00 0.00 C ATOM 626 CD GLU A 50 -5.796 16.880 -5.513 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.214 17.087 -6.600 1.00 0.00 O ATOM 628 OE2 GLU A 50 -6.961 17.259 -5.278 1.00 0.00 O ATOM 0 H GLU A 50 -5.083 13.253 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.636 14.220 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.798 14.409 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.106 14.859 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.700 16.010 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.194 16.721 -4.105 1.00 0.00 H new ATOM 635 N VAL A 51 -4.575 11.769 -5.897 1.00 0.00 N ATOM 636 CA VAL A 51 -4.246 10.794 -6.929 1.00 0.00 C ATOM 637 C VAL A 51 -5.370 9.776 -7.104 1.00 0.00 C ATOM 638 O VAL A 51 -5.541 9.207 -8.182 1.00 0.00 O ATOM 639 CB VAL A 51 -2.938 10.048 -6.605 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.760 11.010 -6.602 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.048 9.326 -5.270 1.00 0.00 C ATOM 0 H VAL A 51 -4.102 11.618 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.116 11.351 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.767 9.302 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.845 10.464 -6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.667 11.475 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.922 11.781 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.114 8.805 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.245 10.050 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.864 8.604 -5.313 1.00 0.00 H new ATOM 651 N GLY A 52 -6.132 9.552 -6.039 1.00 0.00 N ATOM 652 CA GLY A 52 -7.230 8.604 -6.097 1.00 0.00 C ATOM 653 C GLY A 52 -6.850 7.244 -5.546 1.00 0.00 C ATOM 654 O GLY A 52 -6.951 6.234 -6.242 1.00 0.00 O ATOM 0 H GLY A 52 -6.009 10.010 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.076 8.998 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.558 8.495 -7.131 1.00 0.00 H new ATOM 658 N LEU A 53 -6.413 7.218 -4.293 1.00 0.00 N ATOM 659 CA LEU A 53 -6.017 5.972 -3.647 1.00 0.00 C ATOM 660 C LEU A 53 -7.140 5.432 -2.768 1.00 0.00 C ATOM 661 O LEU A 53 -8.013 6.180 -2.328 1.00 0.00 O ATOM 662 CB LEU A 53 -4.756 6.189 -2.807 1.00 0.00 C ATOM 663 CG LEU A 53 -3.437 6.001 -3.558 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.266 6.474 -2.709 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.256 4.543 -3.956 1.00 0.00 C ATOM 0 H LEU A 53 -6.324 8.046 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.807 5.239 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.781 7.198 -2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.777 5.500 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.467 6.605 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.336 6.332 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.391 7.531 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.231 5.898 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.313 4.426 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.247 3.920 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.079 4.237 -4.602 1.00 0.00 H new ATOM 677 N GLU A 54 -7.110 4.129 -2.515 1.00 0.00 N ATOM 678 CA GLU A 54 -8.123 3.483 -1.689 1.00 0.00 C ATOM 679 C GLU A 54 -7.648 2.111 -1.226 1.00 0.00 C ATOM 680 O GLU A 54 -6.749 1.522 -1.826 1.00 0.00 O ATOM 681 CB GLU A 54 -9.435 3.348 -2.464 1.00 0.00 C ATOM 682 CG GLU A 54 -9.288 2.613 -3.785 1.00 0.00 C ATOM 683 CD GLU A 54 -10.557 2.645 -4.616 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.231 3.697 -4.628 1.00 0.00 O ATOM 685 OE2 GLU A 54 -10.875 1.620 -5.252 1.00 0.00 O ATOM 0 H GLU A 54 -6.393 3.497 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.293 4.106 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.161 2.822 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.839 4.342 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.473 3.059 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.011 1.577 -3.591 1.00 0.00 H new ATOM 692 N ILE A 55 -8.259 1.603 -0.159 1.00 0.00 N ATOM 693 CA ILE A 55 -7.895 0.296 0.376 1.00 0.00 C ATOM 694 C ILE A 55 -7.992 -0.778 -0.702 1.00 0.00 C ATOM 695 O ILE A 55 -8.755 -0.643 -1.658 1.00 0.00 O ATOM 696 CB ILE A 55 -8.790 -0.099 1.566 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.830 1.026 2.602 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.294 -1.393 2.199 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.226 1.349 3.090 1.00 0.00 C ATOM 0 H ILE A 55 -9.006 2.075 0.350 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.864 0.370 0.723 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.803 -0.263 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.211 0.746 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.388 1.924 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.937 -1.658 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.316 -2.192 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.273 -1.256 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.178 2.155 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.843 1.660 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.663 0.464 3.553 1.00 0.00 H new ATOM 711 N GLY A 56 -7.211 -1.842 -0.544 1.00 0.00 N ATOM 712 CA GLY A 56 -7.222 -2.916 -1.517 1.00 0.00 C ATOM 713 C GLY A 56 -6.124 -2.763 -2.553 1.00 0.00 C ATOM 714 O GLY A 56 -5.696 -3.741 -3.162 1.00 0.00 O ATOM 0 H GLY A 56 -6.572 -1.978 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.104 -3.870 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.190 -2.941 -2.017 1.00 0.00 H new ATOM 718 N ASP A 57 -5.665 -1.531 -2.750 1.00 0.00 N ATOM 719 CA ASP A 57 -4.608 -1.257 -3.715 1.00 0.00 C ATOM 720 C ASP A 57 -3.266 -1.763 -3.198 1.00 0.00 C ATOM 721 O ASP A 57 -3.092 -1.967 -1.996 1.00 0.00 O ATOM 722 CB ASP A 57 -4.528 0.245 -3.998 1.00 0.00 C ATOM 723 CG ASP A 57 -5.627 0.718 -4.930 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.688 0.061 -4.978 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.426 1.745 -5.612 1.00 0.00 O ATOM 0 H ASP A 57 -6.008 -0.708 -2.255 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.843 -1.781 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.592 0.793 -3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.558 0.478 -4.437 1.00 0.00 H new ATOM 730 N GLN A 58 -2.321 -1.966 -4.108 1.00 0.00 N ATOM 731 CA GLN A 58 -0.997 -2.452 -3.732 1.00 0.00 C ATOM 732 C GLN A 58 0.080 -1.873 -4.644 1.00 0.00 C ATOM 733 O GLN A 58 0.059 -2.081 -5.856 1.00 0.00 O ATOM 734 CB GLN A 58 -0.960 -3.980 -3.786 1.00 0.00 C ATOM 735 CG GLN A 58 0.388 -4.572 -3.404 1.00 0.00 C ATOM 736 CD GLN A 58 0.853 -5.639 -4.376 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.366 -5.333 -5.452 1.00 0.00 O ATOM 738 NE2 GLN A 58 0.674 -6.900 -3.999 1.00 0.00 N ATOM 0 H GLN A 58 -2.445 -1.803 -5.107 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.795 -2.124 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.724 -4.377 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.218 -4.306 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.131 -3.776 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.322 -5.001 -2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.244 -7.107 -3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.966 -7.662 -4.611 1.00 0.00 H new ATOM 747 N ILE A 59 1.025 -1.153 -4.049 1.00 0.00 N ATOM 748 CA ILE A 59 2.114 -0.550 -4.808 1.00 0.00 C ATOM 749 C ILE A 59 3.057 -1.624 -5.340 1.00 0.00 C ATOM 750 O ILE A 59 3.683 -2.351 -4.568 1.00 0.00 O ATOM 751 CB ILE A 59 2.916 0.446 -3.947 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.970 1.386 -3.194 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.881 1.241 -4.815 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.192 1.395 -1.696 1.00 0.00 C ATOM 0 H ILE A 59 1.059 -0.973 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 59 1.666 -0.011 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 59 3.495 -0.117 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.095 2.398 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.940 1.093 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.440 1.940 -4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.574 0.559 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.321 1.795 -5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.487 2.082 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.038 0.392 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.211 1.718 -1.481 1.00 0.00 H new ATOM 766 N VAL A 60 3.149 -1.722 -6.662 1.00 0.00 N ATOM 767 CA VAL A 60 4.009 -2.715 -7.295 1.00 0.00 C ATOM 768 C VAL A 60 5.360 -2.123 -7.699 1.00 0.00 C ATOM 769 O VAL A 60 6.248 -2.846 -8.151 1.00 0.00 O ATOM 770 CB VAL A 60 3.331 -3.330 -8.538 1.00 0.00 C ATOM 771 CG1 VAL A 60 1.994 -3.955 -8.161 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.147 -2.281 -9.628 1.00 0.00 C ATOM 0 H VAL A 60 2.639 -1.127 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 60 4.179 -3.496 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 60 3.979 -4.114 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.530 -4.384 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.155 -4.739 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.340 -3.190 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.667 -2.737 -10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.522 -1.471 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.120 -1.884 -9.919 1.00 0.00 H new ATOM 782 N GLU A 61 5.515 -0.811 -7.535 1.00 0.00 N ATOM 783 CA GLU A 61 6.764 -0.145 -7.887 1.00 0.00 C ATOM 784 C GLU A 61 6.803 1.278 -7.337 1.00 0.00 C ATOM 785 O GLU A 61 5.772 1.942 -7.229 1.00 0.00 O ATOM 786 CB GLU A 61 6.942 -0.121 -9.406 1.00 0.00 C ATOM 787 CG GLU A 61 8.361 0.198 -9.849 1.00 0.00 C ATOM 788 CD GLU A 61 8.414 1.281 -10.906 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.380 2.473 -10.540 1.00 0.00 O ATOM 790 OE2 GLU A 61 8.489 0.936 -12.106 1.00 0.00 O ATOM 0 H GLU A 61 4.795 -0.192 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 61 7.582 -0.708 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.653 -1.090 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.263 0.618 -9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.945 0.511 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.828 -0.707 -10.238 1.00 0.00 H new ATOM 797 N VAL A 62 8.002 1.741 -6.997 1.00 0.00 N ATOM 798 CA VAL A 62 8.182 3.085 -6.461 1.00 0.00 C ATOM 799 C VAL A 62 9.521 3.671 -6.897 1.00 0.00 C ATOM 800 O VAL A 62 10.578 3.238 -6.439 1.00 0.00 O ATOM 801 CB VAL A 62 8.103 3.096 -4.920 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.231 4.516 -4.383 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.808 2.455 -4.450 1.00 0.00 C ATOM 0 H VAL A 62 8.865 1.204 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 62 7.372 3.696 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 62 8.936 2.512 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.173 4.500 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.189 4.936 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.423 5.130 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.768 2.471 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.960 3.010 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.765 1.423 -4.799 1.00 0.00 H new ATOM 813 N ASN A 63 9.468 4.661 -7.782 1.00 0.00 N ATOM 814 CA ASN A 63 10.678 5.309 -8.278 1.00 0.00 C ATOM 815 C ASN A 63 11.611 4.294 -8.931 1.00 0.00 C ATOM 816 O ASN A 63 12.831 4.454 -8.908 1.00 0.00 O ATOM 817 CB ASN A 63 11.401 6.025 -7.137 1.00 0.00 C ATOM 818 CG ASN A 63 12.384 7.066 -7.637 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.011 8.335 -7.520 1.00 0.00 O flip ATOM 820 ND2 ASN A 63 13.464 6.732 -8.123 1.00 0.00 N flip ATOM 0 H ASN A 63 8.601 5.032 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 63 10.386 6.042 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.667 6.504 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.931 5.291 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.708 5.744 -8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.115 7.443 -8.456 1.00 0.00 H new ATOM 827 N GLY A 64 11.030 3.248 -9.512 1.00 0.00 N ATOM 828 CA GLY A 64 11.825 2.224 -10.160 1.00 0.00 C ATOM 829 C GLY A 64 12.080 1.031 -9.261 1.00 0.00 C ATOM 830 O GLY A 64 12.247 -0.091 -9.739 1.00 0.00 O ATOM 0 H GLY A 64 10.022 3.093 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.315 1.891 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.779 2.651 -10.470 1.00 0.00 H new ATOM 834 N VAL A 65 12.110 1.272 -7.954 1.00 0.00 N ATOM 835 CA VAL A 65 12.346 0.207 -6.986 1.00 0.00 C ATOM 836 C VAL A 65 11.258 -0.858 -7.065 1.00 0.00 C ATOM 837 O VAL A 65 10.075 -0.543 -7.194 1.00 0.00 O ATOM 838 CB VAL A 65 12.405 0.758 -5.549 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.847 -0.327 -4.579 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.336 1.959 -5.476 1.00 0.00 C ATOM 0 H VAL A 65 11.974 2.195 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 65 13.308 -0.240 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 65 11.405 1.084 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.883 0.081 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.138 -1.155 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.837 -0.686 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.365 2.335 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.339 1.661 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.972 2.743 -6.140 1.00 0.00 H new ATOM 850 N ASP A 66 11.665 -2.120 -6.988 1.00 0.00 N ATOM 851 CA ASP A 66 10.726 -3.232 -7.051 1.00 0.00 C ATOM 852 C ASP A 66 10.014 -3.418 -5.716 1.00 0.00 C ATOM 853 O ASP A 66 10.626 -3.816 -4.724 1.00 0.00 O ATOM 854 CB ASP A 66 11.453 -4.520 -7.443 1.00 0.00 C ATOM 855 CG ASP A 66 10.730 -5.281 -8.538 1.00 0.00 C ATOM 856 OD1 ASP A 66 9.810 -6.059 -8.211 1.00 0.00 O ATOM 857 OD2 ASP A 66 11.087 -5.101 -9.721 1.00 0.00 O ATOM 0 H ASP A 66 12.641 -2.398 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 66 9.978 -3.002 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.462 -4.277 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.553 -5.159 -6.566 1.00 0.00 H new ATOM 862 N PHE A 67 8.717 -3.130 -5.698 1.00 0.00 N ATOM 863 CA PHE A 67 7.921 -3.266 -4.482 1.00 0.00 C ATOM 864 C PHE A 67 7.292 -4.656 -4.382 1.00 0.00 C ATOM 865 O PHE A 67 6.429 -4.894 -3.537 1.00 0.00 O ATOM 866 CB PHE A 67 6.828 -2.195 -4.447 1.00 0.00 C ATOM 867 CG PHE A 67 7.161 -1.025 -3.565 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.424 -0.456 -3.591 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.209 -0.495 -2.710 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.731 0.620 -2.781 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.510 0.581 -1.897 1.00 0.00 C ATOM 872 CZ PHE A 67 7.774 1.140 -1.933 1.00 0.00 C ATOM 0 H PHE A 67 8.195 -2.801 -6.510 1.00 0.00 H new ATOM 0 HA PHE A 67 8.586 -3.133 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.650 -1.836 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.899 -2.647 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.177 -0.858 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.220 -0.928 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.719 1.054 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.759 0.985 -1.234 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.012 1.981 -1.299 1.00 0.00 H new ATOM 882 N SER A 68 7.727 -5.571 -5.245 1.00 0.00 N ATOM 883 CA SER A 68 7.200 -6.932 -5.240 1.00 0.00 C ATOM 884 C SER A 68 7.767 -7.725 -4.069 1.00 0.00 C ATOM 885 O SER A 68 7.084 -8.567 -3.485 1.00 0.00 O ATOM 886 CB SER A 68 7.533 -7.634 -6.558 1.00 0.00 C ATOM 887 OG SER A 68 6.588 -7.310 -7.562 1.00 0.00 O ATOM 0 H SER A 68 8.440 -5.395 -5.953 1.00 0.00 H new ATOM 0 HA SER A 68 6.117 -6.879 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.531 -7.343 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.550 -8.713 -6.405 1.00 0.00 H new ATOM 0 HG SER A 68 6.824 -7.770 -8.394 1.00 0.00 H new ATOM 893 N ASN A 69 9.022 -7.449 -3.729 1.00 0.00 N ATOM 894 CA ASN A 69 9.686 -8.133 -2.625 1.00 0.00 C ATOM 895 C ASN A 69 10.277 -7.125 -1.644 1.00 0.00 C ATOM 896 O ASN A 69 11.281 -7.400 -0.986 1.00 0.00 O ATOM 897 CB ASN A 69 10.787 -9.053 -3.156 1.00 0.00 C ATOM 898 CG ASN A 69 11.234 -10.072 -2.128 1.00 0.00 C ATOM 899 OD1 ASN A 69 10.820 -10.026 -0.969 1.00 0.00 O ATOM 900 ND2 ASN A 69 12.085 -11.002 -2.547 1.00 0.00 N ATOM 0 H ASN A 69 9.600 -6.755 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 69 8.944 -8.735 -2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.426 -9.571 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.643 -8.452 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.421 -11.715 -1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.403 -11.003 -3.516 1.00 0.00 H new ATOM 907 N LEU A 70 9.647 -5.959 -1.552 1.00 0.00 N ATOM 908 CA LEU A 70 10.110 -4.908 -0.652 1.00 0.00 C ATOM 909 C LEU A 70 9.511 -5.080 0.740 1.00 0.00 C ATOM 910 O LEU A 70 8.394 -5.576 0.889 1.00 0.00 O ATOM 911 CB LEU A 70 9.742 -3.533 -1.211 1.00 0.00 C ATOM 912 CG LEU A 70 10.373 -2.347 -0.479 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.598 -1.845 -1.227 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.360 -1.227 -0.303 1.00 0.00 C ATOM 0 H LEU A 70 8.814 -5.717 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 70 11.194 -4.983 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.038 -3.493 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.658 -3.424 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 70 10.689 -2.684 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.032 -1.002 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.334 -2.646 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.308 -1.527 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.827 -0.392 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.012 -0.894 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.513 -1.591 0.279 1.00 0.00 H new ATOM 926 N ASP A 71 10.260 -4.665 1.757 1.00 0.00 N ATOM 927 CA ASP A 71 9.803 -4.772 3.138 1.00 0.00 C ATOM 928 C ASP A 71 8.894 -3.601 3.501 1.00 0.00 C ATOM 929 O ASP A 71 8.862 -2.587 2.803 1.00 0.00 O ATOM 930 CB ASP A 71 10.999 -4.822 4.090 1.00 0.00 C ATOM 931 CG ASP A 71 11.366 -6.239 4.483 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.785 -6.751 5.464 1.00 0.00 O ATOM 933 OD2 ASP A 71 12.233 -6.836 3.813 1.00 0.00 O ATOM 0 H ASP A 71 11.186 -4.251 1.651 1.00 0.00 H new ATOM 0 HA ASP A 71 9.232 -5.695 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.857 -4.345 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.770 -4.247 4.987 1.00 0.00 H new ATOM 938 N HIS A 72 8.157 -3.749 4.596 1.00 0.00 N ATOM 939 CA HIS A 72 7.247 -2.703 5.052 1.00 0.00 C ATOM 940 C HIS A 72 8.005 -1.415 5.353 1.00 0.00 C ATOM 941 O HIS A 72 7.703 -0.360 4.793 1.00 0.00 O ATOM 942 CB HIS A 72 6.491 -3.166 6.300 1.00 0.00 C ATOM 943 CG HIS A 72 5.092 -2.637 6.390 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.560 -1.750 5.476 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.111 -2.876 7.292 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.314 -1.468 5.812 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.017 -2.139 6.910 1.00 0.00 N ATOM 0 H HIS A 72 8.171 -4.582 5.184 1.00 0.00 H new ATOM 0 HA HIS A 72 6.532 -2.504 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.459 -4.255 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.045 -2.855 7.186 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.177 -3.526 8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.651 -0.802 5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.120 -2.114 7.396 1.00 0.00 H new ATOM 956 N LYS A 73 8.990 -1.506 6.240 1.00 0.00 N ATOM 957 CA LYS A 73 9.793 -0.347 6.618 1.00 0.00 C ATOM 958 C LYS A 73 10.466 0.271 5.396 1.00 0.00 C ATOM 959 O LYS A 73 10.538 1.494 5.268 1.00 0.00 O ATOM 960 CB LYS A 73 10.848 -0.747 7.650 1.00 0.00 C ATOM 961 CG LYS A 73 10.362 -0.644 9.086 1.00 0.00 C ATOM 962 CD LYS A 73 11.218 -1.480 10.024 1.00 0.00 C ATOM 963 CE LYS A 73 10.567 -2.822 10.326 1.00 0.00 C ATOM 964 NZ LYS A 73 11.574 -3.912 10.446 1.00 0.00 N ATOM 0 H LYS A 73 9.252 -2.371 6.712 1.00 0.00 H new ATOM 0 HA LYS A 73 9.129 0.397 7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.165 -1.771 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.725 -0.112 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.382 0.398 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.325 -0.975 9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.198 -1.643 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.379 -0.935 10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.998 -2.749 11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.858 -3.068 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.091 -4.810 10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.100 -3.999 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.236 -3.690 11.217 1.00 0.00 H new ATOM 978 N GLU A 74 10.955 -0.580 4.500 1.00 0.00 N ATOM 979 CA GLU A 74 11.620 -0.116 3.290 1.00 0.00 C ATOM 980 C GLU A 74 10.680 0.742 2.449 1.00 0.00 C ATOM 981 O GLU A 74 11.082 1.765 1.895 1.00 0.00 O ATOM 982 CB GLU A 74 12.120 -1.308 2.468 1.00 0.00 C ATOM 983 CG GLU A 74 13.632 -1.353 2.321 1.00 0.00 C ATOM 984 CD GLU A 74 14.170 -0.221 1.470 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.952 0.953 1.837 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.809 -0.506 0.436 1.00 0.00 O ATOM 0 H GLU A 74 10.903 -1.595 4.590 1.00 0.00 H new ATOM 0 HA GLU A 74 12.473 0.495 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.781 -2.231 2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.668 -1.271 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.091 -1.309 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.922 -2.305 1.877 1.00 0.00 H new ATOM 993 N ALA A 75 9.424 0.317 2.358 1.00 0.00 N ATOM 994 CA ALA A 75 8.423 1.045 1.588 1.00 0.00 C ATOM 995 C ALA A 75 8.183 2.432 2.173 1.00 0.00 C ATOM 996 O ALA A 75 8.135 3.424 1.445 1.00 0.00 O ATOM 997 CB ALA A 75 7.124 0.257 1.534 1.00 0.00 C ATOM 0 H ALA A 75 9.075 -0.529 2.809 1.00 0.00 H new ATOM 0 HA ALA A 75 8.800 1.170 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.385 0.812 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.304 -0.709 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.750 0.102 2.546 1.00 0.00 H new ATOM 1003 N VAL A 76 8.031 2.494 3.490 1.00 0.00 N ATOM 1004 CA VAL A 76 7.795 3.764 4.169 1.00 0.00 C ATOM 1005 C VAL A 76 9.038 4.647 4.128 1.00 0.00 C ATOM 1006 O VAL A 76 8.939 5.868 4.021 1.00 0.00 O ATOM 1007 CB VAL A 76 7.382 3.547 5.637 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.005 4.870 6.287 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.231 2.555 5.731 1.00 0.00 C ATOM 0 H VAL A 76 8.067 1.683 4.108 1.00 0.00 H new ATOM 0 HA VAL A 76 6.981 4.260 3.640 1.00 0.00 H new ATOM 0 HB VAL A 76 8.234 3.131 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.716 4.697 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.859 5.547 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.170 5.316 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.955 2.416 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.374 2.938 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.539 1.599 5.307 1.00 0.00 H new ATOM 1019 N ASN A 77 10.206 4.021 4.215 1.00 0.00 N ATOM 1020 CA ASN A 77 11.469 4.752 4.192 1.00 0.00 C ATOM 1021 C ASN A 77 11.662 5.477 2.864 1.00 0.00 C ATOM 1022 O ASN A 77 11.952 6.673 2.839 1.00 0.00 O ATOM 1023 CB ASN A 77 12.639 3.798 4.440 1.00 0.00 C ATOM 1024 CG ASN A 77 13.714 4.414 5.314 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.795 4.132 6.510 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.544 5.262 4.720 1.00 0.00 N ATOM 0 H ASN A 77 10.305 3.010 4.302 1.00 0.00 H new ATOM 0 HA ASN A 77 11.439 5.497 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.268 2.888 4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.075 3.506 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.286 5.710 5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.440 5.466 3.726 1.00 0.00 H new ATOM 1033 N VAL A 78 11.500 4.750 1.764 1.00 0.00 N ATOM 1034 CA VAL A 78 11.659 5.333 0.437 1.00 0.00 C ATOM 1035 C VAL A 78 10.627 6.428 0.191 1.00 0.00 C ATOM 1036 O VAL A 78 10.955 7.504 -0.312 1.00 0.00 O ATOM 1037 CB VAL A 78 11.541 4.264 -0.665 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.678 3.261 -0.556 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.195 3.560 -0.588 1.00 0.00 C ATOM 0 H VAL A 78 11.259 3.759 1.765 1.00 0.00 H new ATOM 0 HA VAL A 78 12.658 5.768 0.399 1.00 0.00 H new ATOM 0 HB VAL A 78 11.611 4.759 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.579 2.512 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.631 3.778 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.640 2.772 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.132 2.809 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.092 3.077 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.395 4.289 -0.717 1.00 0.00 H new ATOM 1049 N LEU A 79 9.378 6.151 0.555 1.00 0.00 N ATOM 1050 CA LEU A 79 8.300 7.115 0.378 1.00 0.00 C ATOM 1051 C LEU A 79 8.552 8.364 1.220 1.00 0.00 C ATOM 1052 O LEU A 79 8.169 9.470 0.839 1.00 0.00 O ATOM 1053 CB LEU A 79 6.957 6.488 0.762 1.00 0.00 C ATOM 1054 CG LEU A 79 6.168 5.873 -0.398 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.637 6.961 -1.320 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.034 4.891 -1.173 1.00 0.00 C ATOM 0 H LEU A 79 9.089 5.267 0.974 1.00 0.00 H new ATOM 0 HA LEU A 79 8.268 7.403 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.136 5.715 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.340 7.252 1.235 1.00 0.00 H new ATOM 0 HG LEU A 79 5.319 5.329 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.079 6.505 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.980 7.625 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.471 7.534 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.456 4.465 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.904 5.411 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.363 4.093 -0.508 1.00 0.00 H new ATOM 1068 N LYS A 80 9.201 8.174 2.366 1.00 0.00 N ATOM 1069 CA LYS A 80 9.508 9.279 3.266 1.00 0.00 C ATOM 1070 C LYS A 80 10.773 10.010 2.825 1.00 0.00 C ATOM 1071 O LYS A 80 10.888 11.225 2.984 1.00 0.00 O ATOM 1072 CB LYS A 80 9.682 8.761 4.696 1.00 0.00 C ATOM 1073 CG LYS A 80 8.425 8.868 5.545 1.00 0.00 C ATOM 1074 CD LYS A 80 7.220 8.259 4.847 1.00 0.00 C ATOM 1075 CE LYS A 80 5.927 8.596 5.570 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.527 10.016 5.361 1.00 0.00 N ATOM 0 H LYS A 80 9.524 7.263 2.692 1.00 0.00 H new ATOM 0 HA LYS A 80 8.675 9.981 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.996 7.718 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.484 9.319 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.586 8.364 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.225 9.916 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.170 8.624 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.337 7.177 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.132 7.939 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.047 8.406 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.692 10.555 6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.092 10.426 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.518 10.059 5.112 1.00 0.00 H new ATOM 1090 N SER A 81 11.720 9.258 2.276 1.00 0.00 N ATOM 1091 CA SER A 81 12.981 9.827 1.816 1.00 0.00 C ATOM 1092 C SER A 81 12.754 10.858 0.716 1.00 0.00 C ATOM 1093 O SER A 81 13.080 12.035 0.878 1.00 0.00 O ATOM 1094 CB SER A 81 13.908 8.721 1.310 1.00 0.00 C ATOM 1095 OG SER A 81 15.057 9.266 0.683 1.00 0.00 O ATOM 0 H SER A 81 11.638 8.251 2.138 1.00 0.00 H new ATOM 0 HA SER A 81 13.449 10.329 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.211 8.086 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.371 8.087 0.605 1.00 0.00 H new ATOM 0 HG SER A 81 15.635 8.539 0.370 1.00 0.00 H new ATOM 1101 N SER A 82 12.200 10.410 -0.404 1.00 0.00 N ATOM 1102 CA SER A 82 11.938 11.296 -1.533 1.00 0.00 C ATOM 1103 C SER A 82 10.613 12.033 -1.360 1.00 0.00 C ATOM 1104 O SER A 82 9.599 11.434 -1.000 1.00 0.00 O ATOM 1105 CB SER A 82 11.928 10.500 -2.840 1.00 0.00 C ATOM 1106 OG SER A 82 13.117 10.718 -3.580 1.00 0.00 O ATOM 0 H SER A 82 11.924 9.440 -0.555 1.00 0.00 H new ATOM 0 HA SER A 82 12.737 12.037 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.822 9.437 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.065 10.790 -3.439 1.00 0.00 H new ATOM 0 HG SER A 82 13.086 10.197 -4.409 1.00 0.00 H new ATOM 1112 N ARG A 83 10.630 13.336 -1.624 1.00 0.00 N ATOM 1113 CA ARG A 83 9.430 14.158 -1.504 1.00 0.00 C ATOM 1114 C ARG A 83 8.773 14.363 -2.867 1.00 0.00 C ATOM 1115 O ARG A 83 8.075 15.352 -3.090 1.00 0.00 O ATOM 1116 CB ARG A 83 9.776 15.513 -0.884 1.00 0.00 C ATOM 1117 CG ARG A 83 10.508 15.405 0.444 1.00 0.00 C ATOM 1118 CD ARG A 83 10.274 16.629 1.312 1.00 0.00 C ATOM 1119 NE ARG A 83 10.372 16.319 2.736 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.571 17.233 3.683 1.00 0.00 C ATOM 1121 NH1 ARG A 83 10.693 18.515 3.362 1.00 0.00 N ATOM 1122 NH2 ARG A 83 10.649 16.863 4.954 1.00 0.00 N ATOM 0 H ARG A 83 11.462 13.846 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 83 8.726 13.638 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.392 16.077 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.858 16.082 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.173 14.513 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.576 15.285 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.003 17.398 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.288 17.042 1.098 1.00 0.00 H new ATOM 0 HE ARG A 83 10.283 15.344 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.634 18.804 2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.845 19.211 4.092 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.557 15.879 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.801 17.563 5.680 1.00 0.00 H new ATOM 1136 N SER A 84 9.006 13.418 -3.773 1.00 0.00 N ATOM 1137 CA SER A 84 8.444 13.481 -5.117 1.00 0.00 C ATOM 1138 C SER A 84 8.837 12.243 -5.914 1.00 0.00 C ATOM 1139 O SER A 84 9.665 12.312 -6.822 1.00 0.00 O ATOM 1140 CB SER A 84 8.925 14.744 -5.837 1.00 0.00 C ATOM 1141 OG SER A 84 8.258 14.911 -7.075 1.00 0.00 O ATOM 0 H SER A 84 9.583 12.595 -3.599 1.00 0.00 H new ATOM 0 HA SER A 84 7.358 13.516 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.750 15.615 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.000 14.683 -6.005 1.00 0.00 H new ATOM 0 HG SER A 84 8.582 15.725 -7.514 1.00 0.00 H new ATOM 1147 N LEU A 85 8.244 11.108 -5.560 1.00 0.00 N ATOM 1148 CA LEU A 85 8.539 9.846 -6.232 1.00 0.00 C ATOM 1149 C LEU A 85 7.317 9.310 -6.968 1.00 0.00 C ATOM 1150 O LEU A 85 6.183 9.473 -6.516 1.00 0.00 O ATOM 1151 CB LEU A 85 9.033 8.801 -5.222 1.00 0.00 C ATOM 1152 CG LEU A 85 8.850 9.172 -3.747 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.381 9.113 -3.361 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.674 8.250 -2.861 1.00 0.00 C ATOM 0 H LEU A 85 7.555 11.035 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 85 9.324 10.039 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.510 7.863 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.092 8.617 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 85 9.202 10.193 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.270 9.379 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.815 9.814 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.003 8.103 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.533 8.527 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.352 7.219 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.728 8.342 -3.121 1.00 0.00 H new ATOM 1166 N THR A 86 7.560 8.654 -8.098 1.00 0.00 N ATOM 1167 CA THR A 86 6.486 8.074 -8.893 1.00 0.00 C ATOM 1168 C THR A 86 6.226 6.639 -8.451 1.00 0.00 C ATOM 1169 O THR A 86 7.100 5.779 -8.559 1.00 0.00 O ATOM 1170 CB THR A 86 6.842 8.112 -10.379 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.164 9.430 -10.785 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.727 7.617 -11.274 1.00 0.00 C ATOM 0 H THR A 86 8.493 8.511 -8.484 1.00 0.00 H new ATOM 0 HA THR A 86 5.581 8.661 -8.739 1.00 0.00 H new ATOM 0 HB THR A 86 7.697 7.445 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.390 9.432 -11.738 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.045 7.670 -12.315 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.488 6.584 -11.020 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.843 8.239 -11.132 1.00 0.00 H new ATOM 1180 N ILE A 87 5.027 6.387 -7.942 1.00 0.00 N ATOM 1181 CA ILE A 87 4.664 5.056 -7.473 1.00 0.00 C ATOM 1182 C ILE A 87 3.619 4.410 -8.374 1.00 0.00 C ATOM 1183 O ILE A 87 2.579 5.003 -8.663 1.00 0.00 O ATOM 1184 CB ILE A 87 4.127 5.099 -6.028 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.080 6.206 -5.877 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.272 5.302 -5.043 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.547 6.349 -4.469 1.00 0.00 C ATOM 0 H ILE A 87 4.290 7.086 -7.843 1.00 0.00 H new ATOM 0 HA ILE A 87 5.574 4.456 -7.501 1.00 0.00 H new ATOM 0 HB ILE A 87 3.648 4.145 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.519 7.154 -6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.249 6.003 -6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.877 5.330 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.981 4.479 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.778 6.242 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.810 7.152 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.078 5.414 -4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.368 6.584 -3.791 1.00 0.00 H new ATOM 1199 N SER A 88 3.904 3.189 -8.815 1.00 0.00 N ATOM 1200 CA SER A 88 2.992 2.452 -9.679 1.00 0.00 C ATOM 1201 C SER A 88 2.194 1.432 -8.876 1.00 0.00 C ATOM 1202 O SER A 88 2.764 0.560 -8.220 1.00 0.00 O ATOM 1203 CB SER A 88 3.769 1.752 -10.797 1.00 0.00 C ATOM 1204 OG SER A 88 3.565 2.397 -12.042 1.00 0.00 O ATOM 0 H SER A 88 4.763 2.688 -8.587 1.00 0.00 H new ATOM 0 HA SER A 88 2.295 3.161 -10.125 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.832 1.747 -10.557 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.453 0.711 -10.867 1.00 0.00 H new ATOM 0 HG SER A 88 4.073 1.932 -12.739 1.00 0.00 H new ATOM 1210 N ILE A 89 0.873 1.549 -8.931 1.00 0.00 N ATOM 1211 CA ILE A 89 -0.007 0.641 -8.207 1.00 0.00 C ATOM 1212 C ILE A 89 -1.059 0.051 -9.139 1.00 0.00 C ATOM 1213 O ILE A 89 -1.503 0.703 -10.079 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.708 1.363 -7.035 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.724 0.435 -6.348 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.373 2.643 -7.524 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.138 0.548 -6.886 1.00 0.00 C ATOM 0 H ILE A 89 0.387 2.265 -9.471 1.00 0.00 H new ATOM 0 HA ILE A 89 0.610 -0.163 -7.807 1.00 0.00 H new ATOM 0 HB ILE A 89 0.045 1.633 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.388 -0.596 -6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.735 0.655 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.863 3.141 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.619 3.305 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.114 2.400 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.789 -0.140 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.498 1.568 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.145 0.297 -7.947 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.459 -1.186 -8.871 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.465 -1.851 -9.687 1.00 0.00 C ATOM 1231 C VAL A 90 -3.702 -2.181 -8.857 1.00 0.00 C ATOM 1232 O VAL A 90 -3.631 -2.937 -7.889 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.915 -3.142 -10.317 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.922 -3.733 -11.294 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.585 -2.877 -11.004 1.00 0.00 C ATOM 0 H VAL A 90 -1.103 -1.747 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.738 -1.162 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.748 -3.869 -9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.514 -4.646 -11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.848 -3.964 -10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.126 -3.013 -12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.212 -3.802 -11.444 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.722 -2.132 -11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.134 -2.506 -10.274 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.829 -1.596 -9.241 1.00 0.00 N ATOM 1246 CA ALA A 91 -6.087 -1.809 -8.533 1.00 0.00 C ATOM 1247 C ALA A 91 -6.448 -3.289 -8.452 1.00 0.00 C ATOM 1248 O ALA A 91 -6.332 -4.023 -9.433 1.00 0.00 O ATOM 1249 CB ALA A 91 -7.205 -1.031 -9.210 1.00 0.00 C ATOM 0 H ALA A 91 -4.899 -0.968 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.960 -1.446 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.140 -1.197 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.965 0.032 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.312 -1.370 -10.240 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.898 -3.711 -7.269 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.300 -5.099 -7.028 1.00 0.00 C ATOM 1257 C ALA A 92 -6.109 -5.998 -6.697 1.00 0.00 C ATOM 1258 O ALA A 92 -6.287 -7.091 -6.157 1.00 0.00 O ATOM 1259 CB ALA A 92 -8.074 -5.657 -8.213 1.00 0.00 C ATOM 0 H ALA A 92 -6.994 -3.104 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.954 -5.090 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.360 -6.689 -8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.970 -5.058 -8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.448 -5.625 -9.104 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.898 -5.544 -7.012 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.699 -6.326 -6.730 1.00 0.00 C ATOM 1267 C ALA A 93 -3.589 -6.639 -5.236 1.00 0.00 C ATOM 1268 O ALA A 93 -2.878 -7.561 -4.834 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.464 -5.580 -7.209 1.00 0.00 C ATOM 0 H ALA A 93 -4.722 -4.644 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.771 -7.271 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.575 -6.172 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.535 -5.410 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.395 -4.622 -6.694 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.297 -5.860 -4.424 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.278 -6.049 -2.985 1.00 0.00 C ATOM 1277 C GLY A 94 -5.617 -6.513 -2.443 1.00 0.00 C ATOM 1278 O GLY A 94 -5.679 -7.205 -1.427 1.00 0.00 O ATOM 0 H GLY A 94 -4.890 -5.093 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.512 -6.781 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.999 -5.112 -2.502 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.691 -6.103 -3.111 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.045 -6.447 -2.688 1.00 0.00 C ATOM 1284 C ARG A 95 -8.232 -7.957 -2.573 1.00 0.00 C ATOM 1285 O ARG A 95 -8.966 -8.431 -1.704 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.069 -5.862 -3.673 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.321 -6.731 -4.899 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.365 -6.111 -5.813 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.851 -7.062 -6.811 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.000 -6.923 -7.471 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -12.779 -5.872 -7.247 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -12.369 -7.836 -8.358 1.00 0.00 N ATOM 0 H ARG A 95 -6.649 -5.528 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.205 -6.016 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.013 -5.708 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.723 -4.882 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.389 -6.867 -5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.653 -7.720 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.203 -5.752 -5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.938 -5.244 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.277 -7.880 -7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.499 -5.165 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.658 -5.771 -7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.773 -8.645 -8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.249 -7.730 -8.863 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.570 -8.711 -3.445 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.677 -10.167 -3.425 1.00 0.00 C ATOM 1308 C GLU A 96 -7.484 -10.699 -2.007 1.00 0.00 C ATOM 1309 O GLU A 96 -8.292 -11.484 -1.509 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.641 -10.791 -4.361 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.121 -12.063 -5.039 1.00 0.00 C ATOM 1312 CD GLU A 96 -8.267 -11.815 -6.001 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -8.053 -11.108 -7.008 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -9.377 -12.326 -5.746 1.00 0.00 O ATOM 0 H GLU A 96 -6.957 -8.341 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.674 -10.441 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.369 -10.063 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.737 -11.011 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.291 -12.518 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.437 -12.778 -4.279 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.414 -10.253 -1.358 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.116 -10.667 0.007 1.00 0.00 C ATOM 1323 C LEU A 97 -7.094 -10.033 0.993 1.00 0.00 C ATOM 1324 O LEU A 97 -7.619 -10.701 1.883 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.681 -10.290 0.373 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.632 -10.651 -0.679 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.365 -9.836 -0.472 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.321 -12.139 -0.631 1.00 0.00 C ATOM 0 H LEU A 97 -5.737 -9.603 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.224 -11.750 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.638 -9.216 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.419 -10.782 1.310 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.036 -10.414 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.630 -10.107 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.598 -8.774 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.958 -10.042 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.573 -12.379 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.937 -12.399 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.230 -12.707 -0.828 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.327 -8.733 0.827 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.238 -7.995 1.700 1.00 0.00 C ATOM 1342 C PHE A 98 -9.618 -8.647 1.739 1.00 0.00 C ATOM 1343 O PHE A 98 -10.335 -8.542 2.733 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.357 -6.544 1.228 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.780 -5.551 2.198 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.344 -5.379 3.452 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.676 -4.788 1.852 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.815 -4.466 4.345 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -6.143 -3.874 2.742 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.713 -3.714 3.989 1.00 0.00 C ATOM 0 H PHE A 98 -6.897 -8.168 0.095 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.827 -8.014 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.851 -6.439 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.408 -6.309 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.206 -5.965 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.227 -4.909 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.263 -4.341 5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.282 -3.286 2.462 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.297 -3.001 4.686 1.00 0.00 H new ATOM 1454 N ILE B 115 -0.198 -2.000 9.941 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.549 -0.823 9.156 1.00 0.00 C ATOM 1456 C ILE B 115 0.341 0.364 9.511 1.00 0.00 C ATOM 1457 O ILE B 115 0.582 0.643 10.685 1.00 0.00 O ATOM 1458 CB ILE B 115 -2.022 -0.425 9.371 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.930 -1.645 9.215 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.424 0.669 8.391 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -4.379 -1.365 9.544 1.00 0.00 C ATOM 0 HA ILE B 115 -0.398 -1.086 8.109 1.00 0.00 H new ATOM 0 HB ILE B 115 -2.134 -0.038 10.384 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.862 -2.010 8.190 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -2.567 -2.443 9.862 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.467 0.939 8.555 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.794 1.545 8.545 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.299 0.307 7.370 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.965 -2.275 9.411 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -4.459 -1.029 10.578 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.759 -0.589 8.880 1.00 0.00 H new ATOM 1473 N THR B 116 0.825 1.060 8.487 1.00 0.00 N ATOM 1474 CA THR B 116 1.687 2.219 8.689 1.00 0.00 C ATOM 1475 C THR B 116 1.126 3.443 7.973 1.00 0.00 C ATOM 1476 O THR B 116 0.638 3.344 6.847 1.00 0.00 O ATOM 1477 CB THR B 116 3.102 1.925 8.186 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.596 0.724 8.755 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.090 3.026 8.506 1.00 0.00 C ATOM 0 H THR B 116 0.635 0.841 7.509 1.00 0.00 H new ATOM 0 HA THR B 116 1.726 2.429 9.758 1.00 0.00 H new ATOM 0 HB THR B 116 3.014 1.842 7.103 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.398 -0.027 8.157 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.074 2.755 8.122 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.762 3.956 8.041 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.147 3.161 9.586 1.00 0.00 H new ATOM 1487 N GLU B 117 1.196 4.594 8.634 1.00 0.00 N ATOM 1488 CA GLU B 117 0.692 5.836 8.060 1.00 0.00 C ATOM 1489 C GLU B 117 1.801 6.594 7.339 1.00 0.00 C ATOM 1490 O GLU B 117 2.939 6.646 7.808 1.00 0.00 O ATOM 1491 CB GLU B 117 0.083 6.717 9.152 1.00 0.00 C ATOM 1492 CG GLU B 117 -0.963 6.004 9.995 1.00 0.00 C ATOM 1493 CD GLU B 117 -2.292 6.734 10.020 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -2.819 7.044 8.933 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.804 6.996 11.129 1.00 0.00 O ATOM 0 H GLU B 117 1.597 4.692 9.567 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.080 5.583 7.334 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.879 7.077 9.804 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.371 7.594 8.689 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.113 4.997 9.605 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -0.592 5.899 11.014 1.00 0.00 H new ATOM 1502 N LEU B 118 1.462 7.180 6.195 1.00 0.00 N ATOM 1503 CA LEU B 118 2.429 7.936 5.408 1.00 0.00 C ATOM 1504 C LEU B 118 1.911 9.340 5.113 1.00 0.00 C ATOM 1505 O LEU B 118 0.705 9.582 5.325 1.00 0.00 O ATOM 1506 CB LEU B 118 2.734 7.207 4.099 1.00 0.00 C ATOM 1507 CG LEU B 118 3.052 5.716 4.246 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.149 4.882 3.347 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.515 5.446 3.929 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.716 10.186 4.670 1.00 0.00 O ATOM 0 H LEU B 118 0.525 7.146 5.793 1.00 0.00 H new ATOM 0 HA LEU B 118 3.347 8.021 5.990 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.879 7.316 3.432 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.579 7.697 3.616 1.00 0.00 H new ATOM 0 HG LEU B 118 2.866 5.429 5.281 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.391 3.826 3.467 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.108 5.049 3.622 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.301 5.174 2.308 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.721 4.381 4.039 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.728 5.753 2.905 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.146 6.010 4.615 1.00 0.00 H new