USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=-0.051) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.1) USER MOD Single : A 18 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.927! USER MOD Single : A 21 ASN : amide:sc= -2.07! C(o=-2.1!,f=-4.1!) USER MOD Single : B 1 PHE N :NH3+ -119:sc= 0.889 (180deg=-0.932) USER MOD Single : B 3 ASN : amide:sc= -1.08 K(o=-1.1,f=-5.8!) USER MOD Single : B 4 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.68) USER MOD Single : B 5 HIS : no HE2:sc= -7.79! C(o=-7.8!,f=-8.5!) USER MOD Single : B 9 SER OG : rot -73:sc= 0.124 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 65:sc= -3.35! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -32:sc= 0.454 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.481 1.802 -0.855 1.00 0.00 N ATOM 2 CA GLY A 1 -8.421 2.903 -0.835 1.00 0.00 C ATOM 3 C GLY A 1 -7.139 2.669 -0.113 1.00 0.00 C ATOM 4 O GLY A 1 -6.691 3.491 0.661 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.307 2.125 -1.397 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.087 0.949 -1.300 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.771 1.582 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.175 3.140 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.881 3.793 -0.405 1.00 0.00 H new ATOM 10 N LEU A 2 -6.515 1.546 -0.343 1.00 0.00 N ATOM 11 CA LEU A 2 -5.228 1.254 0.350 1.00 0.00 C ATOM 12 C LEU A 2 -4.068 1.868 -0.439 1.00 0.00 C ATOM 13 O LEU A 2 -2.920 1.753 -0.062 1.00 0.00 O ATOM 14 CB LEU A 2 -5.038 -0.264 0.457 1.00 0.00 C ATOM 15 CG LEU A 2 -4.719 -0.857 -0.920 1.00 0.00 C ATOM 16 CD1 LEU A 2 -3.603 -1.893 -0.782 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.969 -1.535 -1.484 1.00 0.00 C ATOM 0 H LEU A 2 -6.840 0.819 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.248 1.686 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.230 -0.488 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.941 -0.723 0.858 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.399 -0.061 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.375 -2.315 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.711 -1.415 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.926 -2.688 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.743 -1.957 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.287 -2.331 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.769 -0.801 -1.581 1.00 0.00 H new ATOM 29 N LEU A 3 -4.360 2.519 -1.532 1.00 0.00 N ATOM 30 CA LEU A 3 -3.274 3.137 -2.341 1.00 0.00 C ATOM 31 C LEU A 3 -2.914 4.495 -1.742 1.00 0.00 C ATOM 32 O LEU A 3 -1.887 5.065 -2.044 1.00 0.00 O ATOM 33 CB LEU A 3 -3.718 3.330 -3.800 1.00 0.00 C ATOM 34 CG LEU A 3 -5.040 2.609 -4.082 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.387 2.745 -5.565 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.903 1.125 -3.728 1.00 0.00 C ATOM 0 H LEU A 3 -5.303 2.649 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.409 2.474 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.830 4.394 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.946 2.952 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.830 3.055 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.327 2.232 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.487 3.800 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.595 2.300 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.845 0.614 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.112 0.679 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.655 1.024 -2.671 1.00 0.00 H new ATOM 48 N GLU A 4 -3.752 5.019 -0.893 1.00 0.00 N ATOM 49 CA GLU A 4 -3.458 6.343 -0.273 1.00 0.00 C ATOM 50 C GLU A 4 -2.027 6.353 0.274 1.00 0.00 C ATOM 51 O GLU A 4 -1.439 7.396 0.477 1.00 0.00 O ATOM 52 CB GLU A 4 -4.440 6.598 0.873 1.00 0.00 C ATOM 53 CG GLU A 4 -4.996 8.018 0.761 1.00 0.00 C ATOM 54 CD GLU A 4 -6.408 7.969 0.175 1.00 0.00 C ATOM 55 OE1 GLU A 4 -6.656 7.107 -0.651 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.217 8.797 0.563 1.00 0.00 O ATOM 0 H GLU A 4 -4.629 4.588 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.562 7.124 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.254 5.874 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.939 6.467 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.015 8.491 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.349 8.624 0.127 1.00 0.00 H new ATOM 63 N GLN A 5 -1.465 5.201 0.525 1.00 0.00 N ATOM 64 CA GLN A 5 -0.078 5.150 1.068 1.00 0.00 C ATOM 65 C GLN A 5 0.938 5.253 -0.070 1.00 0.00 C ATOM 66 O GLN A 5 1.777 6.132 -0.092 1.00 0.00 O ATOM 67 CB GLN A 5 0.123 3.830 1.815 1.00 0.00 C ATOM 68 CG GLN A 5 1.238 3.993 2.849 1.00 0.00 C ATOM 69 CD GLN A 5 0.639 4.453 4.180 1.00 0.00 C ATOM 70 OE1 GLN A 5 0.402 3.653 5.063 1.00 0.00 O ATOM 71 NE2 GLN A 5 0.383 5.720 4.362 1.00 0.00 N ATOM 0 H GLN A 5 -1.907 4.294 0.377 1.00 0.00 H new ATOM 0 HA GLN A 5 0.070 5.987 1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.803 3.534 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.378 3.037 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.765 3.048 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.971 4.720 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.582 6.392 3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.016 6.038 5.245 1.00 0.00 H new ATOM 80 N CYS A 6 0.874 4.357 -1.007 1.00 0.00 N ATOM 81 CA CYS A 6 1.842 4.391 -2.142 1.00 0.00 C ATOM 82 C CYS A 6 1.284 5.233 -3.293 1.00 0.00 C ATOM 83 O CYS A 6 1.905 5.369 -4.328 1.00 0.00 O ATOM 84 CB CYS A 6 2.109 2.970 -2.634 1.00 0.00 C ATOM 85 SG CYS A 6 3.688 2.400 -1.957 1.00 0.00 S ATOM 0 H CYS A 6 0.193 3.598 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 6 2.773 4.839 -1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.303 2.306 -2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.136 2.947 -3.723 1.00 0.00 H new ATOM 90 N CYS A 7 0.125 5.803 -3.121 1.00 0.00 N ATOM 91 CA CYS A 7 -0.460 6.641 -4.205 1.00 0.00 C ATOM 92 C CYS A 7 -0.309 8.112 -3.824 1.00 0.00 C ATOM 93 O CYS A 7 0.332 8.881 -4.513 1.00 0.00 O ATOM 94 CB CYS A 7 -1.944 6.304 -4.372 1.00 0.00 C ATOM 95 SG CYS A 7 -2.503 6.846 -6.006 1.00 0.00 S ATOM 0 H CYS A 7 -0.443 5.725 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 7 0.057 6.445 -5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.100 5.231 -4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.529 6.794 -3.594 1.00 0.00 H new ATOM 100 N HIS A 8 -0.883 8.506 -2.722 1.00 0.00 N ATOM 101 CA HIS A 8 -0.759 9.921 -2.282 1.00 0.00 C ATOM 102 C HIS A 8 0.624 10.118 -1.658 1.00 0.00 C ATOM 103 O HIS A 8 1.083 11.227 -1.472 1.00 0.00 O ATOM 104 CB HIS A 8 -1.840 10.227 -1.244 1.00 0.00 C ATOM 105 CG HIS A 8 -1.805 11.689 -0.894 1.00 0.00 C ATOM 106 ND1 HIS A 8 -1.655 12.112 0.409 1.00 0.00 N ATOM 107 CD2 HIS A 8 -1.900 12.805 -1.679 1.00 0.00 C ATOM 108 CE1 HIS A 8 -1.666 13.452 0.382 1.00 0.00 C ATOM 109 NE2 HIS A 8 -1.812 13.921 -0.875 1.00 0.00 N ATOM 0 H HIS A 8 -1.433 7.907 -2.107 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.881 10.591 -3.133 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.821 9.960 -1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.680 9.625 -0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.024 12.811 -2.752 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.570 14.078 1.257 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.849 14.897 -1.169 1.00 0.00 H new ATOM 117 N SER A 9 1.289 9.041 -1.335 1.00 0.00 N ATOM 118 CA SER A 9 2.642 9.146 -0.725 1.00 0.00 C ATOM 119 C SER A 9 3.449 7.895 -1.079 1.00 0.00 C ATOM 120 O SER A 9 3.129 7.182 -2.008 1.00 0.00 O ATOM 121 CB SER A 9 2.506 9.254 0.794 1.00 0.00 C ATOM 122 OG SER A 9 1.147 9.050 1.159 1.00 0.00 O ATOM 0 H SER A 9 0.949 8.089 -1.469 1.00 0.00 H new ATOM 0 HA SER A 9 3.152 10.031 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.141 8.514 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.842 10.234 1.132 1.00 0.00 H new ATOM 0 HG SER A 9 1.056 9.117 2.132 1.00 0.00 H new ATOM 128 N ILE A 10 4.493 7.622 -0.346 1.00 0.00 N ATOM 129 CA ILE A 10 5.314 6.416 -0.643 1.00 0.00 C ATOM 130 C ILE A 10 5.061 5.350 0.424 1.00 0.00 C ATOM 131 O ILE A 10 4.766 5.657 1.562 1.00 0.00 O ATOM 132 CB ILE A 10 6.796 6.799 -0.639 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.126 7.566 -1.921 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.655 5.534 -0.565 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.990 9.068 -1.665 1.00 0.00 C ATOM 0 H ILE A 10 4.812 8.182 0.445 1.00 0.00 H new ATOM 0 HA ILE A 10 5.041 6.021 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 10 7.005 7.428 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.139 7.332 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.455 7.261 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.710 5.810 -0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.420 4.988 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.447 4.902 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.225 9.615 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.968 9.294 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.680 9.366 -0.875 1.00 0.00 H new ATOM 147 N CYS A 11 5.182 4.099 0.071 1.00 0.00 N ATOM 148 CA CYS A 11 4.956 3.023 1.080 1.00 0.00 C ATOM 149 C CYS A 11 5.872 1.833 0.777 1.00 0.00 C ATOM 150 O CYS A 11 6.038 1.437 -0.361 1.00 0.00 O ATOM 151 CB CYS A 11 3.480 2.590 1.057 1.00 0.00 C ATOM 152 SG CYS A 11 3.177 1.401 -0.280 1.00 0.00 S ATOM 0 H CYS A 11 5.426 3.776 -0.865 1.00 0.00 H new ATOM 0 HA CYS A 11 5.191 3.401 2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.213 2.143 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.842 3.464 0.924 1.00 0.00 H new ATOM 157 N SER A 12 6.467 1.258 1.786 1.00 0.00 N ATOM 158 CA SER A 12 7.370 0.095 1.555 1.00 0.00 C ATOM 159 C SER A 12 6.530 -1.169 1.369 1.00 0.00 C ATOM 160 O SER A 12 5.426 -1.271 1.867 1.00 0.00 O ATOM 161 CB SER A 12 8.295 -0.080 2.761 1.00 0.00 C ATOM 162 OG SER A 12 7.518 -0.405 3.906 1.00 0.00 O ATOM 0 H SER A 12 6.367 1.543 2.760 1.00 0.00 H new ATOM 0 HA SER A 12 7.969 0.270 0.661 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.022 -0.868 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.858 0.836 2.938 1.00 0.00 H new ATOM 0 HG SER A 12 8.108 -0.519 4.680 1.00 0.00 H new ATOM 168 N LEU A 13 7.039 -2.133 0.651 1.00 0.00 N ATOM 169 CA LEU A 13 6.275 -3.384 0.428 1.00 0.00 C ATOM 170 C LEU A 13 5.957 -4.040 1.773 1.00 0.00 C ATOM 171 O LEU A 13 4.957 -4.713 1.925 1.00 0.00 O ATOM 172 CB LEU A 13 7.123 -4.331 -0.416 1.00 0.00 C ATOM 173 CG LEU A 13 7.518 -3.640 -1.722 1.00 0.00 C ATOM 174 CD1 LEU A 13 8.609 -4.453 -2.422 1.00 0.00 C ATOM 175 CD2 LEU A 13 6.295 -3.539 -2.637 1.00 0.00 C ATOM 0 H LEU A 13 7.957 -2.103 0.208 1.00 0.00 H new ATOM 0 HA LEU A 13 5.341 -3.161 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.016 -4.626 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.565 -5.243 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 13 7.893 -2.640 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.890 -3.960 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.481 -4.526 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.234 -5.453 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.577 -3.047 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.920 -4.539 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.516 -2.959 -2.141 1.00 0.00 H new ATOM 187 N TYR A 14 6.800 -3.851 2.750 1.00 0.00 N ATOM 188 CA TYR A 14 6.545 -4.465 4.083 1.00 0.00 C ATOM 189 C TYR A 14 5.112 -4.172 4.515 1.00 0.00 C ATOM 190 O TYR A 14 4.344 -5.063 4.820 1.00 0.00 O ATOM 191 CB TYR A 14 7.517 -3.880 5.109 1.00 0.00 C ATOM 192 CG TYR A 14 7.700 -4.858 6.244 1.00 0.00 C ATOM 193 CD1 TYR A 14 6.652 -5.093 7.143 1.00 0.00 C ATOM 194 CD2 TYR A 14 8.919 -5.531 6.399 1.00 0.00 C ATOM 195 CE1 TYR A 14 6.821 -6.000 8.197 1.00 0.00 C ATOM 196 CE2 TYR A 14 9.090 -6.439 7.453 1.00 0.00 C ATOM 197 CZ TYR A 14 8.041 -6.673 8.352 1.00 0.00 C ATOM 198 OH TYR A 14 8.208 -7.568 9.390 1.00 0.00 O ATOM 0 H TYR A 14 7.654 -3.298 2.683 1.00 0.00 H new ATOM 0 HA TYR A 14 6.690 -5.543 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.477 -3.670 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.135 -2.933 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.712 -4.574 7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.727 -5.350 5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.012 -6.181 8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.030 -6.958 7.572 1.00 0.00 H new ATOM 0 HH TYR A 14 9.111 -7.948 9.353 1.00 0.00 H new ATOM 208 N GLN A 15 4.750 -2.927 4.543 1.00 0.00 N ATOM 209 CA GLN A 15 3.370 -2.555 4.956 1.00 0.00 C ATOM 210 C GLN A 15 2.390 -2.898 3.834 1.00 0.00 C ATOM 211 O GLN A 15 1.218 -3.122 4.063 1.00 0.00 O ATOM 212 CB GLN A 15 3.311 -1.054 5.249 1.00 0.00 C ATOM 213 CG GLN A 15 3.232 -0.831 6.760 1.00 0.00 C ATOM 214 CD GLN A 15 1.766 -0.834 7.201 1.00 0.00 C ATOM 215 OE1 GLN A 15 1.396 -1.544 8.114 1.00 0.00 O ATOM 216 NE2 GLN A 15 0.911 -0.063 6.585 1.00 0.00 N ATOM 0 H GLN A 15 5.353 -2.142 4.296 1.00 0.00 H new ATOM 0 HA GLN A 15 3.098 -3.110 5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.193 -0.559 4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.444 -0.611 4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.782 -1.614 7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.700 0.118 7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.222 0.533 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.068 -0.057 6.871 1.00 0.00 H new ATOM 225 N LEU A 16 2.864 -2.951 2.623 1.00 0.00 N ATOM 226 CA LEU A 16 1.966 -3.289 1.487 1.00 0.00 C ATOM 227 C LEU A 16 1.732 -4.796 1.480 1.00 0.00 C ATOM 228 O LEU A 16 0.723 -5.279 1.005 1.00 0.00 O ATOM 229 CB LEU A 16 2.617 -2.862 0.169 1.00 0.00 C ATOM 230 CG LEU A 16 1.641 -3.093 -0.984 1.00 0.00 C ATOM 231 CD1 LEU A 16 1.790 -1.970 -2.012 1.00 0.00 C ATOM 232 CD2 LEU A 16 1.951 -4.436 -1.649 1.00 0.00 C ATOM 0 H LEU A 16 3.836 -2.775 2.370 1.00 0.00 H new ATOM 0 HA LEU A 16 1.016 -2.766 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.899 -1.810 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.532 -3.430 0.003 1.00 0.00 H new ATOM 0 HG LEU A 16 0.620 -3.101 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.094 -2.135 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.573 -1.012 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.810 -1.961 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.256 -4.603 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.971 -4.425 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.846 -5.237 -0.917 1.00 0.00 H new ATOM 244 N GLU A 17 2.659 -5.544 2.012 1.00 0.00 N ATOM 245 CA GLU A 17 2.493 -7.019 2.045 1.00 0.00 C ATOM 246 C GLU A 17 1.387 -7.381 3.039 1.00 0.00 C ATOM 247 O GLU A 17 0.974 -8.519 3.138 1.00 0.00 O ATOM 248 CB GLU A 17 3.805 -7.676 2.479 1.00 0.00 C ATOM 249 CG GLU A 17 3.849 -9.116 1.965 1.00 0.00 C ATOM 250 CD GLU A 17 3.718 -10.084 3.144 1.00 0.00 C ATOM 251 OE1 GLU A 17 2.618 -10.224 3.651 1.00 0.00 O ATOM 252 OE2 GLU A 17 4.722 -10.668 3.518 1.00 0.00 O ATOM 0 H GLU A 17 3.524 -5.195 2.425 1.00 0.00 H new ATOM 0 HA GLU A 17 2.224 -7.376 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.653 -7.113 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.888 -7.664 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.042 -9.284 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.785 -9.296 1.435 1.00 0.00 H new ATOM 259 N ASN A 18 0.904 -6.419 3.778 1.00 0.00 N ATOM 260 CA ASN A 18 -0.174 -6.708 4.763 1.00 0.00 C ATOM 261 C ASN A 18 -1.479 -6.993 4.019 1.00 0.00 C ATOM 262 O ASN A 18 -2.429 -7.495 4.584 1.00 0.00 O ATOM 263 CB ASN A 18 -0.367 -5.499 5.680 1.00 0.00 C ATOM 264 CG ASN A 18 -1.016 -5.950 6.989 1.00 0.00 C ATOM 265 OD1 ASN A 18 -1.025 -7.124 7.304 1.00 0.00 O ATOM 266 ND2 ASN A 18 -1.563 -5.061 7.771 1.00 0.00 N ATOM 0 H ASN A 18 1.210 -5.447 3.741 1.00 0.00 H new ATOM 0 HA ASN A 18 0.104 -7.576 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.594 -5.026 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.993 -4.753 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.998 -5.351 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.556 -4.076 7.507 1.00 0.00 H new ATOM 273 N TYR A 19 -1.533 -6.674 2.757 1.00 0.00 N ATOM 274 CA TYR A 19 -2.766 -6.918 1.978 1.00 0.00 C ATOM 275 C TYR A 19 -2.814 -8.385 1.547 1.00 0.00 C ATOM 276 O TYR A 19 -3.830 -9.041 1.659 1.00 0.00 O ATOM 277 CB TYR A 19 -2.745 -6.011 0.754 1.00 0.00 C ATOM 278 CG TYR A 19 -2.700 -4.570 1.205 1.00 0.00 C ATOM 279 CD1 TYR A 19 -3.676 -4.081 2.085 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.681 -3.724 0.750 1.00 0.00 C ATOM 281 CE1 TYR A 19 -3.633 -2.746 2.507 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.637 -2.389 1.174 1.00 0.00 C ATOM 283 CZ TYR A 19 -2.613 -1.900 2.052 1.00 0.00 C ATOM 284 OH TYR A 19 -2.569 -0.584 2.468 1.00 0.00 O ATOM 0 H TYR A 19 -0.767 -6.252 2.232 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.648 -6.703 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.878 -6.238 0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.630 -6.186 0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.461 -4.734 2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.929 -4.100 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.386 -2.369 3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.850 -1.737 0.824 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.798 -0.137 2.060 1.00 0.00 H new ATOM 294 N CYS A 20 -1.720 -8.907 1.059 1.00 0.00 N ATOM 295 CA CYS A 20 -1.704 -10.334 0.626 1.00 0.00 C ATOM 296 C CYS A 20 -2.434 -11.189 1.664 1.00 0.00 C ATOM 297 O CYS A 20 -2.527 -10.831 2.822 1.00 0.00 O ATOM 298 CB CYS A 20 -0.256 -10.813 0.499 1.00 0.00 C ATOM 299 SG CYS A 20 -0.232 -12.608 0.257 1.00 0.00 S ATOM 0 H CYS A 20 -0.838 -8.408 0.942 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.203 -10.427 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.230 -10.316 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.306 -10.549 1.395 1.00 0.00 H new ATOM 304 N ASN A 21 -2.952 -12.315 1.259 1.00 0.00 N ATOM 305 CA ASN A 21 -3.675 -13.192 2.222 1.00 0.00 C ATOM 306 C ASN A 21 -2.687 -14.172 2.856 1.00 0.00 C ATOM 307 O ASN A 21 -3.123 -14.999 3.640 1.00 0.00 O ATOM 308 CB ASN A 21 -4.765 -13.970 1.483 1.00 0.00 C ATOM 309 CG ASN A 21 -5.431 -14.954 2.446 1.00 0.00 C ATOM 310 OD1 ASN A 21 -5.447 -14.737 3.642 1.00 0.00 O ATOM 311 ND2 ASN A 21 -5.986 -16.036 1.972 1.00 0.00 N ATOM 312 OXT ASN A 21 -1.510 -14.078 2.550 1.00 0.00 O ATOM 0 H ASN A 21 -2.906 -12.666 0.302 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.131 -12.581 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.507 -13.282 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.334 -14.507 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.433 -16.699 2.605 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.973 -16.218 0.969 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 10.283 -1.861 -1.801 1.00 0.00 N ATOM 321 CA PHE B 1 11.236 -0.783 -2.190 1.00 0.00 C ATOM 322 C PHE B 1 11.184 0.343 -1.153 1.00 0.00 C ATOM 323 O PHE B 1 10.844 0.129 -0.007 1.00 0.00 O ATOM 324 CB PHE B 1 10.846 -0.227 -3.562 1.00 0.00 C ATOM 325 CG PHE B 1 10.375 -1.354 -4.450 1.00 0.00 C ATOM 326 CD1 PHE B 1 11.308 -2.169 -5.102 1.00 0.00 C ATOM 327 CD2 PHE B 1 9.003 -1.583 -4.622 1.00 0.00 C ATOM 328 CE1 PHE B 1 10.871 -3.214 -5.927 1.00 0.00 C ATOM 329 CE2 PHE B 1 8.566 -2.628 -5.446 1.00 0.00 C ATOM 330 CZ PHE B 1 9.500 -3.444 -6.098 1.00 0.00 C ATOM 0 H1 PHE B 1 10.805 -2.747 -1.646 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.792 -1.591 -0.925 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.586 -1.999 -2.560 1.00 0.00 H new ATOM 0 HA PHE B 1 12.246 -1.191 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.057 0.518 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.699 0.276 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.365 -1.992 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.283 -0.954 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.591 -3.842 -6.431 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.509 -2.805 -5.579 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.163 -4.250 -6.732 1.00 0.00 H new ATOM 342 N VAL B 2 11.521 1.540 -1.549 1.00 0.00 N ATOM 343 CA VAL B 2 11.492 2.679 -0.589 1.00 0.00 C ATOM 344 C VAL B 2 10.763 3.866 -1.229 1.00 0.00 C ATOM 345 O VAL B 2 9.549 3.918 -1.249 1.00 0.00 O ATOM 346 CB VAL B 2 12.926 3.075 -0.230 1.00 0.00 C ATOM 347 CG1 VAL B 2 13.428 2.192 0.915 1.00 0.00 C ATOM 348 CG2 VAL B 2 13.827 2.885 -1.451 1.00 0.00 C ATOM 0 H VAL B 2 11.815 1.778 -2.496 1.00 0.00 H new ATOM 0 HA VAL B 2 10.965 2.384 0.318 1.00 0.00 H new ATOM 0 HB VAL B 2 12.948 4.120 0.080 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.449 2.474 1.171 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.786 2.325 1.786 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.407 1.147 0.605 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.849 3.167 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.805 1.840 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.470 3.513 -2.268 1.00 0.00 H new ATOM 358 N ASN B 3 11.487 4.816 -1.755 1.00 0.00 N ATOM 359 CA ASN B 3 10.825 5.988 -2.394 1.00 0.00 C ATOM 360 C ASN B 3 10.049 5.520 -3.628 1.00 0.00 C ATOM 361 O ASN B 3 10.445 5.762 -4.750 1.00 0.00 O ATOM 362 CB ASN B 3 11.887 7.008 -2.815 1.00 0.00 C ATOM 363 CG ASN B 3 12.996 6.300 -3.595 1.00 0.00 C ATOM 364 OD1 ASN B 3 13.778 5.563 -3.028 1.00 0.00 O ATOM 365 ND2 ASN B 3 13.097 6.492 -4.881 1.00 0.00 N ATOM 0 H ASN B 3 12.507 4.831 -1.770 1.00 0.00 H new ATOM 0 HA ASN B 3 10.139 6.451 -1.685 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.435 7.786 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.303 7.499 -1.935 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.832 6.023 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.441 7.111 -5.357 1.00 0.00 H new ATOM 372 N GLN B 4 8.949 4.843 -3.429 1.00 0.00 N ATOM 373 CA GLN B 4 8.159 4.354 -4.593 1.00 0.00 C ATOM 374 C GLN B 4 6.679 4.706 -4.412 1.00 0.00 C ATOM 375 O GLN B 4 6.076 4.411 -3.396 1.00 0.00 O ATOM 376 CB GLN B 4 8.307 2.835 -4.704 1.00 0.00 C ATOM 377 CG GLN B 4 8.314 2.429 -6.179 1.00 0.00 C ATOM 378 CD GLN B 4 9.620 1.702 -6.500 1.00 0.00 C ATOM 379 OE1 GLN B 4 10.670 2.070 -6.013 1.00 0.00 O ATOM 380 NE2 GLN B 4 9.601 0.677 -7.307 1.00 0.00 N ATOM 0 H GLN B 4 8.566 4.609 -2.513 1.00 0.00 H new ATOM 0 HA GLN B 4 8.531 4.831 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.231 2.513 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.487 2.340 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.463 1.783 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.211 3.311 -6.811 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.720 0.367 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.467 0.186 -7.528 1.00 0.00 H new ATOM 389 N HIS B 5 6.094 5.336 -5.397 1.00 0.00 N ATOM 390 CA HIS B 5 4.666 5.712 -5.313 1.00 0.00 C ATOM 391 C HIS B 5 3.820 4.649 -6.021 1.00 0.00 C ATOM 392 O HIS B 5 3.496 4.777 -7.185 1.00 0.00 O ATOM 393 CB HIS B 5 4.478 7.053 -6.015 1.00 0.00 C ATOM 394 CG HIS B 5 5.243 8.122 -5.287 1.00 0.00 C ATOM 395 ND1 HIS B 5 4.605 9.048 -4.489 1.00 0.00 N ATOM 396 CD2 HIS B 5 6.581 8.406 -5.253 1.00 0.00 C ATOM 397 CE1 HIS B 5 5.557 9.856 -4.000 1.00 0.00 C ATOM 398 NE2 HIS B 5 6.782 9.501 -4.440 1.00 0.00 N ATOM 0 H HIS B 5 6.558 5.606 -6.264 1.00 0.00 H new ATOM 0 HA HIS B 5 4.357 5.785 -4.270 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.823 6.985 -7.047 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.419 7.310 -6.049 1.00 0.00 H new ATOM 0 HD1 HIS B 5 3.603 9.107 -4.306 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.353 7.862 -5.777 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.367 10.687 -3.337 1.00 0.00 H new ATOM 406 N LEU B 6 3.466 3.599 -5.334 1.00 0.00 N ATOM 407 CA LEU B 6 2.650 2.529 -5.974 1.00 0.00 C ATOM 408 C LEU B 6 1.179 2.957 -6.026 1.00 0.00 C ATOM 409 O LEU B 6 0.651 3.514 -5.086 1.00 0.00 O ATOM 410 CB LEU B 6 2.776 1.237 -5.159 1.00 0.00 C ATOM 411 CG LEU B 6 3.827 0.334 -5.793 1.00 0.00 C ATOM 412 CD1 LEU B 6 3.375 -0.048 -7.199 1.00 0.00 C ATOM 413 CD2 LEU B 6 5.160 1.080 -5.865 1.00 0.00 C ATOM 0 H LEU B 6 3.706 3.435 -4.356 1.00 0.00 H new ATOM 0 HA LEU B 6 3.011 2.360 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.054 1.469 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.815 0.723 -5.122 1.00 0.00 H new ATOM 0 HG LEU B 6 3.951 -0.567 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.123 -0.694 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.423 -0.576 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.256 0.853 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.913 0.436 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.041 1.980 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.477 1.357 -4.859 1.00 0.00 H new ATOM 425 N CYS B 7 0.514 2.698 -7.122 1.00 0.00 N ATOM 426 CA CYS B 7 -0.921 3.087 -7.239 1.00 0.00 C ATOM 427 C CYS B 7 -1.537 2.393 -8.457 1.00 0.00 C ATOM 428 O CYS B 7 -0.907 2.253 -9.486 1.00 0.00 O ATOM 429 CB CYS B 7 -1.029 4.604 -7.406 1.00 0.00 C ATOM 430 SG CYS B 7 -2.725 5.131 -7.049 1.00 0.00 S ATOM 0 H CYS B 7 0.904 2.233 -7.942 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.455 2.784 -6.338 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.332 5.105 -6.734 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.754 4.889 -8.421 1.00 0.00 H new ATOM 435 N GLY B 8 -2.761 1.955 -8.349 1.00 0.00 N ATOM 436 CA GLY B 8 -3.412 1.268 -9.502 1.00 0.00 C ATOM 437 C GLY B 8 -3.018 -0.210 -9.505 1.00 0.00 C ATOM 438 O GLY B 8 -2.644 -0.763 -8.491 1.00 0.00 O ATOM 0 H GLY B 8 -3.339 2.043 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.495 1.366 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.108 1.738 -10.437 1.00 0.00 H new ATOM 442 N SER B 9 -3.093 -0.855 -10.639 1.00 0.00 N ATOM 443 CA SER B 9 -2.716 -2.297 -10.703 1.00 0.00 C ATOM 444 C SER B 9 -1.318 -2.480 -10.114 1.00 0.00 C ATOM 445 O SER B 9 -0.936 -3.564 -9.719 1.00 0.00 O ATOM 446 CB SER B 9 -2.718 -2.764 -12.158 1.00 0.00 C ATOM 447 OG SER B 9 -3.152 -1.700 -12.994 1.00 0.00 O ATOM 0 H SER B 9 -3.399 -0.446 -11.522 1.00 0.00 H new ATOM 0 HA SER B 9 -3.435 -2.886 -10.133 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.718 -3.086 -12.450 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.377 -3.625 -12.274 1.00 0.00 H new ATOM 0 HG SER B 9 -4.117 -1.569 -12.883 1.00 0.00 H new ATOM 453 N ASP B 10 -0.554 -1.426 -10.047 1.00 0.00 N ATOM 454 CA ASP B 10 0.810 -1.531 -9.480 1.00 0.00 C ATOM 455 C ASP B 10 0.712 -2.116 -8.071 1.00 0.00 C ATOM 456 O ASP B 10 1.633 -2.735 -7.576 1.00 0.00 O ATOM 457 CB ASP B 10 1.435 -0.138 -9.430 1.00 0.00 C ATOM 458 CG ASP B 10 1.107 0.624 -10.718 1.00 0.00 C ATOM 459 OD1 ASP B 10 -0.063 0.724 -11.046 1.00 0.00 O ATOM 460 OD2 ASP B 10 2.036 1.096 -11.355 1.00 0.00 O ATOM 0 H ASP B 10 -0.821 -0.494 -10.363 1.00 0.00 H new ATOM 0 HA ASP B 10 1.432 -2.179 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.057 0.409 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.515 -0.218 -9.309 1.00 0.00 H new ATOM 465 N LEU B 11 -0.412 -1.938 -7.431 1.00 0.00 N ATOM 466 CA LEU B 11 -0.593 -2.495 -6.065 1.00 0.00 C ATOM 467 C LEU B 11 -0.508 -4.016 -6.136 1.00 0.00 C ATOM 468 O LEU B 11 0.295 -4.636 -5.467 1.00 0.00 O ATOM 469 CB LEU B 11 -1.971 -2.090 -5.536 1.00 0.00 C ATOM 470 CG LEU B 11 -1.843 -0.911 -4.568 1.00 0.00 C ATOM 471 CD1 LEU B 11 -1.337 -1.412 -3.216 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.856 0.114 -5.130 1.00 0.00 C ATOM 0 H LEU B 11 -1.215 -1.428 -7.800 1.00 0.00 H new ATOM 0 HA LEU B 11 0.181 -2.111 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.622 -1.818 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.437 -2.936 -5.030 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.819 -0.443 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.246 -0.572 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.041 -2.139 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.362 -1.883 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.768 0.952 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.120 -0.354 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.216 0.476 -6.093 1.00 0.00 H new ATOM 484 N VAL B 12 -1.328 -4.623 -6.948 1.00 0.00 N ATOM 485 CA VAL B 12 -1.290 -6.103 -7.067 1.00 0.00 C ATOM 486 C VAL B 12 0.090 -6.528 -7.550 1.00 0.00 C ATOM 487 O VAL B 12 0.488 -7.657 -7.378 1.00 0.00 O ATOM 488 CB VAL B 12 -2.351 -6.572 -8.061 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.657 -5.845 -7.770 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.901 -6.261 -9.491 1.00 0.00 C ATOM 0 H VAL B 12 -2.021 -4.157 -7.533 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.494 -6.552 -6.095 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.494 -7.648 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.421 -6.173 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.980 -6.070 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.506 -4.770 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.663 -6.598 -10.194 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.756 -5.186 -9.601 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.963 -6.777 -9.698 1.00 0.00 H new ATOM 500 N GLU B 13 0.830 -5.627 -8.139 1.00 0.00 N ATOM 501 CA GLU B 13 2.192 -5.985 -8.612 1.00 0.00 C ATOM 502 C GLU B 13 3.084 -6.115 -7.387 1.00 0.00 C ATOM 503 O GLU B 13 3.805 -7.082 -7.218 1.00 0.00 O ATOM 504 CB GLU B 13 2.729 -4.888 -9.535 1.00 0.00 C ATOM 505 CG GLU B 13 3.562 -5.524 -10.650 1.00 0.00 C ATOM 506 CD GLU B 13 5.009 -5.040 -10.546 1.00 0.00 C ATOM 507 OE1 GLU B 13 5.497 -4.930 -9.434 1.00 0.00 O ATOM 508 OE2 GLU B 13 5.605 -4.789 -11.581 1.00 0.00 O ATOM 0 H GLU B 13 0.548 -4.662 -8.311 1.00 0.00 H new ATOM 0 HA GLU B 13 2.170 -6.921 -9.171 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.902 -4.320 -9.962 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.338 -4.185 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.524 -6.611 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.148 -5.260 -11.623 1.00 0.00 H new ATOM 515 N ALA B 14 3.013 -5.154 -6.510 1.00 0.00 N ATOM 516 CA ALA B 14 3.823 -5.220 -5.271 1.00 0.00 C ATOM 517 C ALA B 14 3.468 -6.519 -4.549 1.00 0.00 C ATOM 518 O ALA B 14 4.308 -7.174 -3.962 1.00 0.00 O ATOM 519 CB ALA B 14 3.477 -4.022 -4.389 1.00 0.00 C ATOM 0 H ALA B 14 2.426 -4.325 -6.601 1.00 0.00 H new ATOM 0 HA ALA B 14 4.889 -5.197 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.068 -4.061 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.699 -3.099 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.417 -4.049 -4.138 1.00 0.00 H new ATOM 525 N LEU B 15 2.221 -6.902 -4.609 1.00 0.00 N ATOM 526 CA LEU B 15 1.793 -8.164 -3.951 1.00 0.00 C ATOM 527 C LEU B 15 2.144 -9.332 -4.868 1.00 0.00 C ATOM 528 O LEU B 15 2.663 -10.346 -4.443 1.00 0.00 O ATOM 529 CB LEU B 15 0.283 -8.131 -3.710 1.00 0.00 C ATOM 530 CG LEU B 15 -0.119 -6.769 -3.141 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.563 -6.455 -3.534 1.00 0.00 C ATOM 532 CD2 LEU B 15 -0.006 -6.804 -1.616 1.00 0.00 C ATOM 0 H LEU B 15 1.479 -6.391 -5.088 1.00 0.00 H new ATOM 0 HA LEU B 15 2.300 -8.278 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.248 -8.317 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.002 -8.923 -3.018 1.00 0.00 H new ATOM 0 HG LEU B 15 0.541 -6.000 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.848 -5.484 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.648 -6.433 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.224 -7.224 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.292 -5.835 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.668 -7.574 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.022 -7.028 -1.332 1.00 0.00 H new ATOM 544 N TYR B 16 1.860 -9.182 -6.127 1.00 0.00 N ATOM 545 CA TYR B 16 2.162 -10.255 -7.119 1.00 0.00 C ATOM 546 C TYR B 16 3.491 -10.941 -6.797 1.00 0.00 C ATOM 547 O TYR B 16 3.681 -12.105 -7.086 1.00 0.00 O ATOM 548 CB TYR B 16 2.294 -9.631 -8.509 1.00 0.00 C ATOM 549 CG TYR B 16 1.608 -10.502 -9.529 1.00 0.00 C ATOM 550 CD1 TYR B 16 1.879 -11.875 -9.575 1.00 0.00 C ATOM 551 CD2 TYR B 16 0.702 -9.934 -10.430 1.00 0.00 C ATOM 552 CE1 TYR B 16 1.239 -12.682 -10.525 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.060 -10.739 -11.379 1.00 0.00 C ATOM 554 CZ TYR B 16 0.329 -12.114 -11.428 1.00 0.00 C ATOM 555 OH TYR B 16 -0.302 -12.907 -12.365 1.00 0.00 O ATOM 0 H TYR B 16 1.424 -8.348 -6.521 1.00 0.00 H new ATOM 0 HA TYR B 16 1.353 -10.985 -7.083 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.853 -8.634 -8.513 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.347 -9.514 -8.766 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.580 -12.311 -8.879 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.497 -8.874 -10.394 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.447 -13.741 -10.562 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.642 -10.301 -12.073 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.901 -12.355 -12.911 1.00 0.00 H new ATOM 565 N LEU B 17 4.431 -10.221 -6.254 1.00 0.00 N ATOM 566 CA LEU B 17 5.761 -10.837 -5.984 1.00 0.00 C ATOM 567 C LEU B 17 5.964 -11.126 -4.491 1.00 0.00 C ATOM 568 O LEU B 17 6.345 -12.217 -4.118 1.00 0.00 O ATOM 569 CB LEU B 17 6.840 -9.872 -6.478 1.00 0.00 C ATOM 570 CG LEU B 17 8.209 -10.563 -6.533 1.00 0.00 C ATOM 571 CD1 LEU B 17 8.065 -12.000 -7.042 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.112 -9.784 -7.487 1.00 0.00 C ATOM 0 H LEU B 17 4.339 -9.241 -5.987 1.00 0.00 H new ATOM 0 HA LEU B 17 5.822 -11.791 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.576 -9.501 -7.468 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.891 -9.007 -5.816 1.00 0.00 H new ATOM 0 HG LEU B 17 8.638 -10.587 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.046 -12.475 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.413 -12.560 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.634 -11.990 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.089 -10.264 -7.536 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.665 -9.769 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.227 -8.762 -7.126 1.00 0.00 H new ATOM 584 N VAL B 18 5.739 -10.168 -3.633 1.00 0.00 N ATOM 585 CA VAL B 18 5.948 -10.413 -2.183 1.00 0.00 C ATOM 586 C VAL B 18 5.366 -11.766 -1.794 1.00 0.00 C ATOM 587 O VAL B 18 5.985 -12.552 -1.103 1.00 0.00 O ATOM 588 CB VAL B 18 5.252 -9.318 -1.390 1.00 0.00 C ATOM 589 CG1 VAL B 18 5.778 -7.952 -1.829 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.748 -9.389 -1.632 1.00 0.00 C ATOM 0 H VAL B 18 5.420 -9.230 -3.875 1.00 0.00 H new ATOM 0 HA VAL B 18 7.016 -10.410 -1.966 1.00 0.00 H new ATOM 0 HB VAL B 18 5.454 -9.458 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.278 -7.169 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.852 -7.901 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.580 -7.810 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.250 -8.604 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.544 -9.253 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.374 -10.361 -1.312 1.00 0.00 H new ATOM 600 N CYS B 19 4.183 -12.039 -2.239 1.00 0.00 N ATOM 601 CA CYS B 19 3.536 -13.336 -1.917 1.00 0.00 C ATOM 602 C CYS B 19 3.715 -14.277 -3.103 1.00 0.00 C ATOM 603 O CYS B 19 4.194 -15.385 -2.969 1.00 0.00 O ATOM 604 CB CYS B 19 2.045 -13.109 -1.665 1.00 0.00 C ATOM 605 SG CYS B 19 1.730 -13.065 0.116 1.00 0.00 S ATOM 0 H CYS B 19 3.626 -11.413 -2.820 1.00 0.00 H new ATOM 0 HA CYS B 19 3.989 -13.771 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.727 -12.173 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.462 -13.905 -2.128 1.00 0.00 H new ATOM 610 N GLY B 20 3.343 -13.833 -4.270 1.00 0.00 N ATOM 611 CA GLY B 20 3.497 -14.687 -5.475 1.00 0.00 C ATOM 612 C GLY B 20 2.187 -15.423 -5.760 1.00 0.00 C ATOM 613 O GLY B 20 1.119 -14.844 -5.736 1.00 0.00 O ATOM 0 H GLY B 20 2.938 -12.912 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.775 -14.075 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.302 -15.405 -5.322 1.00 0.00 H new ATOM 617 N GLU B 21 2.260 -16.697 -6.036 1.00 0.00 N ATOM 618 CA GLU B 21 1.027 -17.472 -6.327 1.00 0.00 C ATOM 619 C GLU B 21 0.209 -17.641 -5.045 1.00 0.00 C ATOM 620 O GLU B 21 -0.910 -18.114 -5.071 1.00 0.00 O ATOM 621 CB GLU B 21 1.416 -18.849 -6.870 1.00 0.00 C ATOM 622 CG GLU B 21 2.705 -18.741 -7.687 1.00 0.00 C ATOM 623 CD GLU B 21 2.786 -19.908 -8.673 1.00 0.00 C ATOM 624 OE1 GLU B 21 1.788 -20.591 -8.837 1.00 0.00 O ATOM 625 OE2 GLU B 21 3.846 -20.101 -9.247 1.00 0.00 O ATOM 0 H GLU B 21 3.126 -17.234 -6.072 1.00 0.00 H new ATOM 0 HA GLU B 21 0.428 -16.940 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.555 -19.549 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.613 -19.245 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.728 -17.794 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.570 -18.751 -7.024 1.00 0.00 H new ATOM 632 N ARG B 22 0.755 -17.260 -3.924 1.00 0.00 N ATOM 633 CA ARG B 22 0.002 -17.405 -2.646 1.00 0.00 C ATOM 634 C ARG B 22 -1.352 -16.705 -2.773 1.00 0.00 C ATOM 635 O ARG B 22 -2.272 -16.971 -2.026 1.00 0.00 O ATOM 636 CB ARG B 22 0.801 -16.775 -1.503 1.00 0.00 C ATOM 637 CG ARG B 22 0.848 -17.741 -0.317 1.00 0.00 C ATOM 638 CD ARG B 22 -0.566 -18.239 -0.004 1.00 0.00 C ATOM 639 NE ARG B 22 -0.554 -18.993 1.281 1.00 0.00 N ATOM 640 CZ ARG B 22 -0.458 -20.294 1.273 1.00 0.00 C ATOM 641 NH1 ARG B 22 -1.199 -20.998 0.462 1.00 0.00 N ATOM 642 NH2 ARG B 22 0.379 -20.892 2.076 1.00 0.00 N ATOM 0 H ARG B 22 1.687 -16.856 -3.837 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.154 -18.463 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.812 -16.544 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.342 -15.834 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.499 -18.584 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.270 -17.242 0.555 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.253 -17.396 0.063 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.924 -18.879 -0.810 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.621 -18.492 2.167 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.853 -20.531 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.124 -22.015 0.456 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.958 -20.342 2.710 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.454 -21.909 2.069 1.00 0.00 H new ATOM 656 N GLY B 23 -1.480 -15.815 -3.716 1.00 0.00 N ATOM 657 CA GLY B 23 -2.774 -15.099 -3.897 1.00 0.00 C ATOM 658 C GLY B 23 -2.812 -13.870 -2.987 1.00 0.00 C ATOM 659 O GLY B 23 -3.122 -13.962 -1.816 1.00 0.00 O ATOM 0 H GLY B 23 -0.744 -15.552 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.892 -14.797 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.605 -15.764 -3.662 1.00 0.00 H new ATOM 663 N PHE B 24 -2.499 -12.721 -3.517 1.00 0.00 N ATOM 664 CA PHE B 24 -2.514 -11.486 -2.693 1.00 0.00 C ATOM 665 C PHE B 24 -3.961 -11.074 -2.413 1.00 0.00 C ATOM 666 O PHE B 24 -4.888 -11.814 -2.678 1.00 0.00 O ATOM 667 CB PHE B 24 -1.798 -10.376 -3.458 1.00 0.00 C ATOM 668 CG PHE B 24 -2.221 -10.397 -4.907 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.469 -9.880 -5.282 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.366 -10.935 -5.878 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.861 -9.901 -6.628 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.757 -10.956 -7.223 1.00 0.00 C ATOM 673 CZ PHE B 24 -3.004 -10.440 -7.598 1.00 0.00 C ATOM 0 H PHE B 24 -2.232 -12.586 -4.492 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.007 -11.665 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.032 -9.408 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.719 -10.508 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.129 -9.465 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.405 -11.334 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.822 -9.502 -6.917 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.097 -11.370 -7.971 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.306 -10.457 -8.635 1.00 0.00 H new ATOM 683 N PHE B 25 -4.166 -9.900 -1.877 1.00 0.00 N ATOM 684 CA PHE B 25 -5.556 -9.453 -1.581 1.00 0.00 C ATOM 685 C PHE B 25 -5.830 -8.120 -2.275 1.00 0.00 C ATOM 686 O PHE B 25 -6.556 -8.050 -3.247 1.00 0.00 O ATOM 687 CB PHE B 25 -5.729 -9.288 -0.068 1.00 0.00 C ATOM 688 CG PHE B 25 -7.199 -9.198 0.267 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.085 -10.183 -0.193 1.00 0.00 C ATOM 690 CD2 PHE B 25 -7.677 -8.132 1.040 1.00 0.00 C ATOM 691 CE1 PHE B 25 -9.448 -10.099 0.119 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.040 -8.048 1.352 1.00 0.00 C ATOM 693 CZ PHE B 25 -9.926 -9.032 0.892 1.00 0.00 C ATOM 0 H PHE B 25 -3.433 -9.234 -1.633 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.260 -10.200 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.278 -10.132 0.454 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.213 -8.390 0.271 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.717 -11.006 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.994 -7.374 1.396 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.131 -10.857 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.408 -7.225 1.947 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.977 -8.968 1.133 1.00 0.00 H new ATOM 703 N TYR B 26 -5.258 -7.065 -1.781 1.00 0.00 N ATOM 704 CA TYR B 26 -5.486 -5.732 -2.405 1.00 0.00 C ATOM 705 C TYR B 26 -6.982 -5.535 -2.605 1.00 0.00 C ATOM 706 O TYR B 26 -7.794 -6.353 -2.220 1.00 0.00 O ATOM 707 CB TYR B 26 -4.732 -5.671 -3.743 1.00 0.00 C ATOM 708 CG TYR B 26 -5.088 -4.469 -4.582 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.580 -3.206 -4.251 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.914 -4.620 -5.701 1.00 0.00 C ATOM 711 CE1 TYR B 26 -4.903 -2.093 -5.039 1.00 0.00 C ATOM 712 CE2 TYR B 26 -6.237 -3.509 -6.490 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.731 -2.245 -6.159 1.00 0.00 C ATOM 714 OH TYR B 26 -6.048 -1.150 -6.936 1.00 0.00 O ATOM 0 H TYR B 26 -4.640 -7.064 -0.970 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.113 -4.933 -1.764 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.660 -5.662 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.944 -6.576 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.940 -3.090 -3.389 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.303 -5.595 -5.957 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.514 -1.119 -4.783 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.876 -3.626 -7.353 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.630 -1.429 -7.673 1.00 0.00 H new ATOM 724 N THR B 27 -7.337 -4.444 -3.177 1.00 0.00 N ATOM 725 CA THR B 27 -8.780 -4.132 -3.396 1.00 0.00 C ATOM 726 C THR B 27 -9.214 -4.552 -4.803 1.00 0.00 C ATOM 727 O THR B 27 -8.428 -5.023 -5.598 1.00 0.00 O ATOM 728 CB THR B 27 -8.995 -2.627 -3.229 1.00 0.00 C ATOM 729 OG1 THR B 27 -7.744 -1.959 -3.314 1.00 0.00 O ATOM 730 CG2 THR B 27 -9.632 -2.346 -1.867 1.00 0.00 C ATOM 0 H THR B 27 -6.689 -3.732 -3.514 1.00 0.00 H new ATOM 0 HA THR B 27 -9.376 -4.682 -2.668 1.00 0.00 H new ATOM 0 HB THR B 27 -9.656 -2.266 -4.017 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.377 -2.065 -4.217 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.784 -1.273 -1.751 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.592 -2.858 -1.802 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.974 -2.707 -1.076 1.00 0.00 H new ATOM 738 N LYS B 28 -10.472 -4.382 -5.109 1.00 0.00 N ATOM 739 CA LYS B 28 -10.978 -4.762 -6.448 1.00 0.00 C ATOM 740 C LYS B 28 -10.559 -3.702 -7.483 1.00 0.00 C ATOM 741 O LYS B 28 -9.756 -2.838 -7.195 1.00 0.00 O ATOM 742 CB LYS B 28 -12.505 -4.922 -6.359 1.00 0.00 C ATOM 743 CG LYS B 28 -13.238 -3.626 -6.709 1.00 0.00 C ATOM 744 CD LYS B 28 -13.717 -2.935 -5.432 1.00 0.00 C ATOM 745 CE LYS B 28 -13.565 -1.420 -5.579 1.00 0.00 C ATOM 746 NZ LYS B 28 -13.595 -0.785 -4.231 1.00 0.00 N ATOM 0 H LYS B 28 -11.173 -3.992 -4.479 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.551 -5.710 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.827 -5.714 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.779 -5.233 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.575 -2.962 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.088 -3.843 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.759 -3.189 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.139 -3.287 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.627 -1.185 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.368 -1.021 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.492 0.245 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.501 -0.999 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.814 -1.157 -3.654 1.00 0.00 H new ATOM 760 N PRO B 29 -11.106 -3.828 -8.661 1.00 0.00 N ATOM 761 CA PRO B 29 -10.818 -2.937 -9.790 1.00 0.00 C ATOM 762 C PRO B 29 -11.747 -1.717 -9.759 1.00 0.00 C ATOM 763 O PRO B 29 -12.795 -1.740 -9.146 1.00 0.00 O ATOM 764 CB PRO B 29 -11.112 -3.826 -11.006 1.00 0.00 C ATOM 765 CG PRO B 29 -12.076 -4.943 -10.515 1.00 0.00 C ATOM 766 CD PRO B 29 -12.066 -4.888 -8.977 1.00 0.00 C ATOM 0 HA PRO B 29 -9.804 -2.538 -9.788 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.567 -3.246 -11.809 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.192 -4.255 -11.404 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.083 -4.784 -10.902 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.749 -5.920 -10.870 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.055 -4.660 -8.580 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.762 -5.842 -8.546 1.00 0.00 H new ATOM 774 N THR B 30 -11.369 -0.653 -10.414 1.00 0.00 N ATOM 775 CA THR B 30 -12.230 0.563 -10.422 1.00 0.00 C ATOM 776 C THR B 30 -13.120 0.548 -11.665 1.00 0.00 C ATOM 777 O THR B 30 -13.993 1.396 -11.756 1.00 0.00 O ATOM 778 CB THR B 30 -11.347 1.814 -10.443 1.00 0.00 C ATOM 779 OG1 THR B 30 -12.164 2.970 -10.312 1.00 0.00 O ATOM 780 CG2 THR B 30 -10.579 1.876 -11.764 1.00 0.00 C ATOM 781 OXT THR B 30 -12.917 -0.313 -12.505 1.00 0.00 O ATOM 0 H THR B 30 -10.501 -0.574 -10.944 1.00 0.00 H new ATOM 0 HA THR B 30 -12.853 0.573 -9.528 1.00 0.00 H new ATOM 0 HB THR B 30 -10.638 1.774 -9.616 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.032 2.807 -10.737 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.951 2.767 -11.778 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.953 0.989 -11.863 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.285 1.917 -12.594 1.00 0.00 H new TER 789 THR B 30