USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 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: B 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 29 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.15) USER MOD Single : A 1 GLY N :NH3+ -159:sc= 1.11 (180deg=0.6) USER MOD Single : A 5 GLN : amide:sc= 0.394 X(o=0.39,f=-0.01) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.401 K(o=0.4,f=-4.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.053) USER MOD Single : B 1 PHE N :NH3+ 141:sc= 0.764 (180deg=0.205) USER MOD Single : B 3 ASN : amide:sc= -0.0954 K(o=-0.095,f=-1.4) USER MOD Single : B 4 GLN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -0.751 F(o=-1.3,f=-0.75) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.048 -2.785 2.064 1.00 0.00 N ATOM 2 CA GLY A 1 5.494 -4.066 1.473 1.00 0.00 C ATOM 3 C GLY A 1 4.702 -4.449 0.228 1.00 0.00 C ATOM 4 O GLY A 1 3.712 -3.809 -0.126 1.00 0.00 O ATOM 0 H1 GLY A 1 5.806 -2.395 2.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.823 -2.112 1.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.200 -2.947 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.551 -3.995 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.398 -4.857 2.217 1.00 0.00 H new ATOM 10 N ILE A 2 5.166 -5.486 -0.481 1.00 0.00 N ATOM 11 CA ILE A 2 4.623 -5.938 -1.782 1.00 0.00 C ATOM 12 C ILE A 2 3.259 -6.640 -1.693 1.00 0.00 C ATOM 13 O ILE A 2 2.449 -6.483 -2.603 1.00 0.00 O ATOM 14 CB ILE A 2 5.683 -6.805 -2.517 1.00 0.00 C ATOM 15 CG1 ILE A 2 5.289 -7.229 -3.950 1.00 0.00 C ATOM 16 CG2 ILE A 2 6.072 -8.072 -1.729 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.939 -6.084 -4.902 1.00 0.00 C ATOM 0 H ILE A 2 5.951 -6.054 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 2 4.419 -5.042 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 2 6.538 -6.133 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.112 -7.798 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.434 -7.902 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.815 -8.637 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.489 -7.786 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.188 -8.690 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.678 -6.490 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.092 -5.525 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.797 -5.420 -5.003 1.00 0.00 H new ATOM 29 N VAL A 3 2.957 -7.373 -0.618 1.00 0.00 N ATOM 30 CA VAL A 3 1.708 -8.163 -0.506 1.00 0.00 C ATOM 31 C VAL A 3 0.488 -7.236 -0.491 1.00 0.00 C ATOM 32 O VAL A 3 -0.422 -7.405 -1.296 1.00 0.00 O ATOM 33 CB VAL A 3 1.715 -9.098 0.728 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.361 -9.798 0.957 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.784 -10.190 0.558 1.00 0.00 C ATOM 0 H VAL A 3 3.562 -7.442 0.200 1.00 0.00 H new ATOM 0 HA VAL A 3 1.647 -8.805 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 3 1.928 -8.463 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.427 -10.440 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.414 -9.048 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.111 -10.402 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.780 -10.842 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.566 -10.777 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.765 -9.726 0.456 1.00 0.00 H new ATOM 45 N GLU A 4 0.498 -6.203 0.351 1.00 0.00 N ATOM 46 CA GLU A 4 -0.550 -5.182 0.426 1.00 0.00 C ATOM 47 C GLU A 4 -0.591 -4.240 -0.799 1.00 0.00 C ATOM 48 O GLU A 4 -1.421 -3.329 -0.843 1.00 0.00 O ATOM 49 CB GLU A 4 -0.441 -4.411 1.758 1.00 0.00 C ATOM 50 CG GLU A 4 0.812 -3.534 1.924 1.00 0.00 C ATOM 51 CD GLU A 4 2.005 -4.241 2.589 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.325 -5.405 2.253 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 2.688 -3.592 3.414 1.00 0.00 O ATOM 0 H GLU A 4 1.254 -6.048 1.018 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.508 -5.702 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.321 -3.777 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.468 -5.131 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.121 -3.175 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.550 -2.657 2.516 1.00 0.00 H new ATOM 60 N GLN A 5 0.268 -4.455 -1.805 1.00 0.00 N ATOM 61 CA GLN A 5 0.117 -3.890 -3.144 1.00 0.00 C ATOM 62 C GLN A 5 -0.441 -4.943 -4.116 1.00 0.00 C ATOM 63 O GLN A 5 -1.510 -4.728 -4.680 1.00 0.00 O ATOM 64 CB GLN A 5 1.455 -3.301 -3.622 1.00 0.00 C ATOM 65 CG GLN A 5 1.425 -2.777 -5.069 1.00 0.00 C ATOM 66 CD GLN A 5 0.395 -1.670 -5.318 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.699 -0.483 -5.290 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.857 -1.998 -5.568 1.00 0.00 N ATOM 0 H GLN A 5 1.100 -5.037 -1.705 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.606 -3.075 -3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.740 -2.486 -2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.228 -4.065 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.415 -2.401 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.215 -3.610 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.131 -2.980 -5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.552 -1.270 -5.734 1.00 0.00 H new ATOM 77 N CYS A 6 0.266 -6.054 -4.353 1.00 0.00 N ATOM 78 CA CYS A 6 -0.025 -6.941 -5.491 1.00 0.00 C ATOM 79 C CYS A 6 -1.049 -8.057 -5.202 1.00 0.00 C ATOM 80 O CYS A 6 -1.697 -8.566 -6.118 1.00 0.00 O ATOM 81 CB CYS A 6 1.283 -7.492 -6.053 1.00 0.00 C ATOM 82 SG CYS A 6 1.176 -7.834 -7.831 1.00 0.00 S ATOM 0 H CYS A 6 1.046 -6.363 -3.772 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.521 -6.328 -6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.085 -6.777 -5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.546 -8.408 -5.524 1.00 0.00 H new ATOM 87 N CYS A 7 -1.241 -8.426 -3.930 1.00 0.00 N ATOM 88 CA CYS A 7 -2.295 -9.370 -3.509 1.00 0.00 C ATOM 89 C CYS A 7 -3.705 -8.750 -3.510 1.00 0.00 C ATOM 90 O CYS A 7 -4.692 -9.471 -3.689 1.00 0.00 O ATOM 91 CB CYS A 7 -1.929 -9.961 -2.136 1.00 0.00 C ATOM 92 SG CYS A 7 -2.935 -11.358 -1.561 1.00 0.00 S ATOM 0 H CYS A 7 -0.671 -8.080 -3.158 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.339 -10.171 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.888 -10.281 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.994 -9.165 -1.394 1.00 0.00 H new ATOM 97 N THR A 8 -3.805 -7.425 -3.333 1.00 0.00 N ATOM 98 CA THR A 8 -5.074 -6.673 -3.274 1.00 0.00 C ATOM 99 C THR A 8 -5.466 -6.050 -4.620 1.00 0.00 C ATOM 100 O THR A 8 -6.651 -5.990 -4.948 1.00 0.00 O ATOM 101 CB THR A 8 -4.995 -5.632 -2.149 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.290 -5.140 -1.884 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.071 -4.465 -2.485 1.00 0.00 C ATOM 0 H THR A 8 -2.986 -6.827 -3.224 1.00 0.00 H new ATOM 0 HA THR A 8 -5.876 -7.376 -3.049 1.00 0.00 H new ATOM 0 HB THR A 8 -4.578 -6.130 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.247 -4.475 -1.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.056 -3.762 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.063 -4.839 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.434 -3.960 -3.380 1.00 0.00 H new ATOM 111 N SER A 9 -4.493 -5.624 -5.425 1.00 0.00 N ATOM 112 CA SER A 9 -4.697 -4.992 -6.736 1.00 0.00 C ATOM 113 C SER A 9 -3.514 -5.262 -7.681 1.00 0.00 C ATOM 114 O SER A 9 -2.504 -5.842 -7.287 1.00 0.00 O ATOM 115 CB SER A 9 -5.011 -3.492 -6.579 1.00 0.00 C ATOM 116 OG SER A 9 -3.923 -2.743 -6.053 1.00 0.00 O ATOM 0 H SER A 9 -3.507 -5.710 -5.178 1.00 0.00 H new ATOM 0 HA SER A 9 -5.569 -5.448 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.290 -3.082 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.874 -3.375 -5.924 1.00 0.00 H new ATOM 0 HG SER A 9 -4.181 -1.800 -5.978 1.00 0.00 H new ATOM 122 N ILE A 10 -3.636 -4.914 -8.964 1.00 0.00 N ATOM 123 CA ILE A 10 -2.638 -5.307 -9.973 1.00 0.00 C ATOM 124 C ILE A 10 -1.333 -4.514 -9.823 1.00 0.00 C ATOM 125 O ILE A 10 -1.350 -3.280 -9.851 1.00 0.00 O ATOM 126 CB ILE A 10 -3.241 -5.211 -11.393 1.00 0.00 C ATOM 127 CG1 ILE A 10 -4.410 -6.220 -11.447 1.00 0.00 C ATOM 128 CG2 ILE A 10 -2.163 -5.473 -12.459 1.00 0.00 C ATOM 129 CD1 ILE A 10 -5.012 -6.507 -12.817 1.00 0.00 C ATOM 0 H ILE A 10 -4.411 -4.363 -9.332 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.370 -6.350 -9.806 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.618 -4.211 -11.608 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.063 -7.163 -11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.205 -5.853 -10.798 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.608 -5.401 -13.452 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.369 -4.733 -12.363 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.748 -6.471 -12.319 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.821 -7.230 -12.715 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.402 -5.583 -13.244 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.243 -6.914 -13.474 1.00 0.00 H new ATOM 141 N CYS A 11 -0.199 -5.219 -9.729 1.00 0.00 N ATOM 142 CA CYS A 11 1.140 -4.636 -9.873 1.00 0.00 C ATOM 143 C CYS A 11 1.783 -4.994 -11.223 1.00 0.00 C ATOM 144 O CYS A 11 1.542 -6.063 -11.790 1.00 0.00 O ATOM 145 CB CYS A 11 2.051 -5.026 -8.695 1.00 0.00 C ATOM 146 SG CYS A 11 2.686 -6.729 -8.633 1.00 0.00 S ATOM 0 H CYS A 11 -0.186 -6.223 -9.549 1.00 0.00 H new ATOM 0 HA CYS A 11 1.020 -3.553 -9.855 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.907 -4.351 -8.697 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.501 -4.841 -7.772 1.00 0.00 H new ATOM 151 N SER A 12 2.616 -4.094 -11.737 1.00 0.00 N ATOM 152 CA SER A 12 3.398 -4.290 -12.967 1.00 0.00 C ATOM 153 C SER A 12 4.873 -4.600 -12.672 1.00 0.00 C ATOM 154 O SER A 12 5.412 -4.225 -11.626 1.00 0.00 O ATOM 155 CB SER A 12 3.274 -3.057 -13.871 1.00 0.00 C ATOM 156 OG SER A 12 1.917 -2.821 -14.229 1.00 0.00 O ATOM 0 H SER A 12 2.774 -3.184 -11.304 1.00 0.00 H new ATOM 0 HA SER A 12 2.988 -5.157 -13.485 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.675 -2.183 -13.357 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.872 -3.200 -14.771 1.00 0.00 H new ATOM 0 HG SER A 12 1.841 -1.948 -14.667 1.00 0.00 H new ATOM 162 N LEU A 13 5.561 -5.264 -13.607 1.00 0.00 N ATOM 163 CA LEU A 13 6.923 -5.761 -13.407 1.00 0.00 C ATOM 164 C LEU A 13 7.907 -4.640 -13.061 1.00 0.00 C ATOM 165 O LEU A 13 8.722 -4.768 -12.150 1.00 0.00 O ATOM 166 CB LEU A 13 7.374 -6.580 -14.632 1.00 0.00 C ATOM 167 CG LEU A 13 7.430 -5.893 -16.018 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.405 -6.672 -16.914 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.070 -5.802 -16.731 1.00 0.00 C ATOM 0 H LEU A 13 5.183 -5.472 -14.531 1.00 0.00 H new ATOM 0 HA LEU A 13 6.917 -6.424 -12.542 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.369 -6.970 -14.418 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.707 -7.438 -14.717 1.00 0.00 H new ATOM 0 HG LEU A 13 7.758 -4.868 -15.844 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.455 -6.199 -17.895 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.396 -6.671 -16.460 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.057 -7.699 -17.024 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.197 -5.308 -17.694 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.673 -6.805 -16.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.375 -5.228 -16.118 1.00 0.00 H new ATOM 181 N TYR A 14 7.750 -3.499 -13.727 1.00 0.00 N ATOM 182 CA TYR A 14 8.646 -2.347 -13.645 1.00 0.00 C ATOM 183 C TYR A 14 8.624 -1.628 -12.288 1.00 0.00 C ATOM 184 O TYR A 14 9.496 -0.806 -12.003 1.00 0.00 O ATOM 185 CB TYR A 14 8.289 -1.390 -14.788 1.00 0.00 C ATOM 186 CG TYR A 14 6.878 -0.820 -14.782 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.523 0.210 -13.886 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.926 -1.292 -15.709 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.220 0.744 -13.894 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.630 -0.744 -15.739 1.00 0.00 C ATOM 191 CZ TYR A 14 4.269 0.269 -14.824 1.00 0.00 C ATOM 192 OH TYR A 14 3.006 0.781 -14.845 1.00 0.00 O ATOM 0 H TYR A 14 6.967 -3.345 -14.362 1.00 0.00 H new ATOM 0 HA TYR A 14 9.669 -2.709 -13.742 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.993 -0.558 -14.768 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.441 -1.914 -15.732 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.255 0.591 -13.190 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.193 -2.078 -16.400 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.948 1.516 -13.190 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.911 -1.099 -16.463 1.00 0.00 H new ATOM 0 HH TYR A 14 2.486 0.340 -15.548 1.00 0.00 H new ATOM 202 N GLN A 15 7.621 -1.930 -11.460 1.00 0.00 N ATOM 203 CA GLN A 15 7.440 -1.353 -10.128 1.00 0.00 C ATOM 204 C GLN A 15 7.543 -2.427 -9.036 1.00 0.00 C ATOM 205 O GLN A 15 7.914 -2.102 -7.911 1.00 0.00 O ATOM 206 CB GLN A 15 6.102 -0.587 -10.052 1.00 0.00 C ATOM 207 CG GLN A 15 4.888 -1.431 -10.484 1.00 0.00 C ATOM 208 CD GLN A 15 3.511 -0.796 -10.294 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.510 -1.501 -10.281 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.377 0.509 -10.161 1.00 0.00 N ATOM 0 H GLN A 15 6.893 -2.601 -11.705 1.00 0.00 H new ATOM 0 HA GLN A 15 8.245 -0.641 -9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.948 -0.240 -9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.163 0.299 -10.684 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.005 -1.682 -11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.910 -2.369 -9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.201 1.110 -10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.449 0.918 -10.049 1.00 0.00 H new ATOM 219 N LEU A 16 7.274 -3.704 -9.343 1.00 0.00 N ATOM 220 CA LEU A 16 7.410 -4.801 -8.382 1.00 0.00 C ATOM 221 C LEU A 16 8.887 -5.180 -8.136 1.00 0.00 C ATOM 222 O LEU A 16 9.225 -5.593 -7.028 1.00 0.00 O ATOM 223 CB LEU A 16 6.478 -5.958 -8.798 1.00 0.00 C ATOM 224 CG LEU A 16 7.144 -7.104 -9.574 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.892 -8.078 -8.648 1.00 0.00 C ATOM 226 CD2 LEU A 16 6.088 -7.905 -10.350 1.00 0.00 C ATOM 0 H LEU A 16 6.956 -4.002 -10.265 1.00 0.00 H new ATOM 0 HA LEU A 16 7.076 -4.484 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.019 -6.371 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.673 -5.550 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 16 7.861 -6.643 -10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.346 -8.870 -9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.670 -7.540 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.191 -8.515 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.574 -8.714 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.362 -8.322 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.578 -7.248 -11.054 1.00 0.00 H new ATOM 238 N GLU A 17 9.781 -4.982 -9.122 1.00 0.00 N ATOM 239 CA GLU A 17 11.245 -5.121 -8.948 1.00 0.00 C ATOM 240 C GLU A 17 11.758 -4.277 -7.779 1.00 0.00 C ATOM 241 O GLU A 17 12.680 -4.665 -7.062 1.00 0.00 O ATOM 242 CB GLU A 17 12.021 -4.625 -10.183 1.00 0.00 C ATOM 243 CG GLU A 17 12.014 -5.611 -11.340 1.00 0.00 C ATOM 244 CD GLU A 17 12.985 -5.186 -12.447 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.671 -4.250 -13.218 1.00 0.00 O ATOM 246 OE2 GLU A 17 14.069 -5.802 -12.563 1.00 0.00 O1- ATOM 0 H GLU A 17 9.510 -4.719 -10.069 1.00 0.00 H new ATOM 0 HA GLU A 17 11.410 -6.185 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.591 -3.681 -10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.053 -4.421 -9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.286 -6.602 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.006 -5.687 -11.748 1.00 0.00 H new ATOM 253 N ASN A 18 11.133 -3.115 -7.596 1.00 0.00 N ATOM 254 CA ASN A 18 11.494 -2.129 -6.572 1.00 0.00 C ATOM 255 C ASN A 18 11.468 -2.702 -5.139 1.00 0.00 C ATOM 256 O ASN A 18 12.217 -2.259 -4.267 1.00 0.00 O ATOM 257 CB ASN A 18 10.535 -0.939 -6.699 1.00 0.00 C ATOM 258 CG ASN A 18 11.238 0.377 -6.422 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.328 0.846 -5.293 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.772 0.995 -7.461 1.00 0.00 N ATOM 0 H ASN A 18 10.341 -2.823 -8.169 1.00 0.00 H new ATOM 0 HA ASN A 18 12.525 -1.819 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.108 -0.920 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.706 -1.063 -6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.268 1.876 -7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.688 0.591 -8.394 1.00 0.00 H new ATOM 267 N TYR A 19 10.631 -3.719 -4.905 1.00 0.00 N ATOM 268 CA TYR A 19 10.467 -4.413 -3.625 1.00 0.00 C ATOM 269 C TYR A 19 11.522 -5.510 -3.376 1.00 0.00 C ATOM 270 O TYR A 19 11.640 -6.007 -2.254 1.00 0.00 O ATOM 271 CB TYR A 19 9.055 -5.007 -3.595 1.00 0.00 C ATOM 272 CG TYR A 19 7.941 -3.979 -3.642 1.00 0.00 C ATOM 273 CD1 TYR A 19 7.514 -3.429 -4.869 1.00 0.00 C ATOM 274 CD2 TYR A 19 7.301 -3.600 -2.447 1.00 0.00 C ATOM 275 CE1 TYR A 19 6.429 -2.531 -4.901 1.00 0.00 C ATOM 276 CE2 TYR A 19 6.207 -2.717 -2.474 1.00 0.00 C ATOM 277 CZ TYR A 19 5.764 -2.181 -3.705 1.00 0.00 C ATOM 278 OH TYR A 19 4.701 -1.330 -3.742 1.00 0.00 O ATOM 0 H TYR A 19 10.025 -4.096 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 19 10.612 -3.689 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.942 -5.686 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.944 -5.604 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.020 -3.697 -5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.652 -3.990 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.105 -2.110 -5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.706 -2.449 -1.556 1.00 0.00 H new ATOM 0 HH TYR A 19 4.358 -1.195 -2.834 1.00 0.00 H new ATOM 288 N CYS A 20 12.304 -5.888 -4.396 1.00 0.00 N ATOM 289 CA CYS A 20 13.388 -6.876 -4.276 1.00 0.00 C ATOM 290 C CYS A 20 14.629 -6.321 -3.543 1.00 0.00 C ATOM 291 O CYS A 20 15.400 -7.086 -2.957 1.00 0.00 O ATOM 292 CB CYS A 20 13.756 -7.364 -5.682 1.00 0.00 C ATOM 293 SG CYS A 20 14.754 -8.877 -5.705 1.00 0.00 S ATOM 0 H CYS A 20 12.202 -5.513 -5.339 1.00 0.00 H new ATOM 0 HA CYS A 20 13.031 -7.706 -3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 20 12.839 -7.538 -6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 20 14.302 -6.574 -6.197 1.00 0.00 H new ATOM 298 N ASN A 21 14.812 -4.991 -3.563 1.00 0.00 N ATOM 299 CA ASN A 21 15.893 -4.252 -2.890 1.00 0.00 C ATOM 300 C ASN A 21 15.658 -4.143 -1.366 1.00 0.00 C ATOM 301 O ASN A 21 14.833 -3.301 -0.940 1.00 0.00 O ATOM 302 CB ASN A 21 16.036 -2.882 -3.598 1.00 0.00 C ATOM 303 CG ASN A 21 17.113 -1.978 -3.008 1.00 0.00 C ATOM 304 OD1 ASN A 21 18.162 -1.747 -3.597 1.00 0.00 O ATOM 305 ND2 ASN A 21 16.885 -1.437 -1.834 1.00 0.00 N ATOM 306 OXT ASN A 21 16.336 -4.866 -0.601 1.00 0.00 O1- ATOM 0 H ASN A 21 14.181 -4.373 -4.073 1.00 0.00 H new ATOM 0 HA ASN A 21 16.837 -4.791 -2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.259 -3.052 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.079 -2.362 -3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.582 -0.824 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.011 -1.630 -1.345 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.839 -11.602 -19.392 1.00 0.00 N ATOM 315 CA PHE B 1 5.281 -11.409 -18.027 1.00 0.00 C ATOM 316 C PHE B 1 3.754 -11.220 -18.092 1.00 0.00 C ATOM 317 O PHE B 1 3.217 -11.008 -19.180 1.00 0.00 O ATOM 318 CB PHE B 1 5.985 -10.236 -17.309 1.00 0.00 C ATOM 319 CG PHE B 1 5.696 -10.138 -15.821 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.348 -11.002 -14.918 1.00 0.00 C ATOM 321 CD2 PHE B 1 4.756 -9.206 -15.336 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.050 -10.946 -13.545 1.00 0.00 C ATOM 323 CE2 PHE B 1 4.463 -9.147 -13.963 1.00 0.00 C ATOM 324 CZ PHE B 1 5.100 -10.025 -13.070 1.00 0.00 C ATOM 0 H1 PHE B 1 6.747 -11.100 -19.470 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.988 -12.616 -19.566 1.00 0.00 H new ATOM 0 H3 PHE B 1 5.173 -11.224 -20.096 1.00 0.00 H new ATOM 0 HA PHE B 1 5.472 -12.305 -17.437 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.061 -10.334 -17.451 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.685 -9.303 -17.786 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.079 -11.709 -15.282 1.00 0.00 H new ATOM 0 HD2 PHE B 1 4.260 -8.535 -16.022 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.551 -11.610 -12.856 1.00 0.00 H new ATOM 0 HE2 PHE B 1 3.748 -8.427 -13.594 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.860 -9.992 -12.018 1.00 0.00 H new ATOM 336 N VAL B 2 3.044 -11.279 -16.957 1.00 0.00 N ATOM 337 CA VAL B 2 1.597 -10.989 -16.850 1.00 0.00 C ATOM 338 C VAL B 2 1.327 -9.999 -15.714 1.00 0.00 C ATOM 339 O VAL B 2 1.600 -10.282 -14.550 1.00 0.00 O ATOM 340 CB VAL B 2 0.732 -12.265 -16.666 1.00 0.00 C ATOM 341 CG1 VAL B 2 0.580 -12.996 -18.011 1.00 0.00 C ATOM 342 CG2 VAL B 2 1.268 -13.266 -15.621 1.00 0.00 C ATOM 0 H VAL B 2 3.464 -11.535 -16.064 1.00 0.00 H new ATOM 0 HA VAL B 2 1.303 -10.542 -17.799 1.00 0.00 H new ATOM 0 HB VAL B 2 -0.226 -11.906 -16.291 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -0.028 -13.890 -17.873 1.00 0.00 H new ATOM 0 HG12 VAL B 2 0.096 -12.336 -18.731 1.00 0.00 H new ATOM 0 HG13 VAL B 2 1.564 -13.281 -18.384 1.00 0.00 H new ATOM 0 HG21 VAL B 2 0.598 -14.124 -15.562 1.00 0.00 H new ATOM 0 HG22 VAL B 2 2.263 -13.601 -15.915 1.00 0.00 H new ATOM 0 HG23 VAL B 2 1.322 -12.781 -14.647 1.00 0.00 H new ATOM 352 N ASN B 3 0.768 -8.835 -16.056 1.00 0.00 N ATOM 353 CA ASN B 3 0.289 -7.855 -15.078 1.00 0.00 C ATOM 354 C ASN B 3 -1.089 -8.295 -14.561 1.00 0.00 C ATOM 355 O ASN B 3 -2.077 -8.294 -15.300 1.00 0.00 O ATOM 356 CB ASN B 3 0.247 -6.446 -15.697 1.00 0.00 C ATOM 357 CG ASN B 3 1.617 -5.905 -16.112 1.00 0.00 C ATOM 358 OD1 ASN B 3 2.669 -6.323 -15.639 1.00 0.00 O ATOM 359 ND2 ASN B 3 1.641 -4.947 -17.020 1.00 0.00 N ATOM 0 H ASN B 3 0.634 -8.545 -17.025 1.00 0.00 H new ATOM 0 HA ASN B 3 0.977 -7.809 -14.234 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.405 -6.464 -16.571 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -0.201 -5.759 -14.979 1.00 0.00 H new ATOM 0 HD21 ASN B 3 2.532 -4.557 -17.326 1.00 0.00 H new ATOM 0 HD22 ASN B 3 0.768 -4.597 -17.415 1.00 0.00 H new ATOM 366 N GLN B 4 -1.147 -8.690 -13.290 1.00 0.00 N ATOM 367 CA GLN B 4 -2.331 -9.241 -12.627 1.00 0.00 C ATOM 368 C GLN B 4 -2.188 -9.164 -11.102 1.00 0.00 C ATOM 369 O GLN B 4 -1.191 -8.679 -10.569 1.00 0.00 O ATOM 370 CB GLN B 4 -2.610 -10.679 -13.109 1.00 0.00 C ATOM 371 CG GLN B 4 -1.403 -11.599 -12.921 1.00 0.00 C ATOM 372 CD GLN B 4 -1.792 -13.075 -12.996 1.00 0.00 C ATOM 373 OE1 GLN B 4 -1.797 -13.697 -14.052 1.00 0.00 O ATOM 374 NE2 GLN B 4 -2.166 -13.682 -11.888 1.00 0.00 N ATOM 0 H GLN B 4 -0.340 -8.633 -12.669 1.00 0.00 H new ATOM 0 HA GLN B 4 -3.194 -8.635 -12.901 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.461 -11.084 -12.562 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.888 -10.659 -14.163 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -0.658 -11.381 -13.686 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -0.938 -11.395 -11.956 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -2.166 -13.174 -11.003 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -2.456 -14.660 -11.915 1.00 0.00 H new ATOM 383 N HIS B 5 -3.194 -9.678 -10.401 1.00 0.00 N ATOM 384 CA HIS B 5 -3.147 -9.922 -8.961 1.00 0.00 C ATOM 385 C HIS B 5 -2.238 -11.132 -8.672 1.00 0.00 C ATOM 386 O HIS B 5 -2.325 -12.155 -9.364 1.00 0.00 O ATOM 387 CB HIS B 5 -4.576 -10.156 -8.451 1.00 0.00 C ATOM 388 CG HIS B 5 -5.536 -9.041 -8.777 1.00 0.00 C ATOM 389 ND1 HIS B 5 -6.202 -8.879 -9.959 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 -5.868 -7.988 -7.926 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 -6.963 -7.741 -9.835 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 -6.731 -7.225 -8.617 1.00 0.00 N flip ATOM 0 H HIS B 5 -4.083 -9.942 -10.825 1.00 0.00 H new ATOM 0 HA HIS B 5 -2.730 -9.060 -8.440 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -4.955 -11.084 -8.878 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -4.547 -10.291 -7.370 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -6.145 -9.486 -10.777 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -5.507 -7.821 -6.922 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -7.628 -7.335 -10.583 1.00 0.00 H new ATOM 400 N LEU B 6 -1.366 -11.026 -7.668 1.00 0.00 N ATOM 401 CA LEU B 6 -0.372 -12.045 -7.311 1.00 0.00 C ATOM 402 C LEU B 6 -0.259 -12.149 -5.788 1.00 0.00 C ATOM 403 O LEU B 6 -0.180 -11.136 -5.098 1.00 0.00 O ATOM 404 CB LEU B 6 0.993 -11.676 -7.923 1.00 0.00 C ATOM 405 CG LEU B 6 1.067 -11.649 -9.463 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.424 -11.070 -9.874 1.00 0.00 C ATOM 407 CD2 LEU B 6 0.908 -13.048 -10.075 1.00 0.00 C ATOM 0 H LEU B 6 -1.329 -10.206 -7.062 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.687 -13.011 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.281 -10.693 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.735 -12.386 -7.557 1.00 0.00 H new ATOM 0 HG LEU B 6 0.247 -11.034 -9.833 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.494 -11.043 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.523 -10.059 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.222 -11.695 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.967 -12.979 -11.161 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.703 -13.698 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.059 -13.462 -9.790 1.00 0.00 H new ATOM 419 N CYS B 7 -0.229 -13.369 -5.254 1.00 0.00 N ATOM 420 CA CYS B 7 -0.174 -13.613 -3.807 1.00 0.00 C ATOM 421 C CYS B 7 0.435 -14.983 -3.487 1.00 0.00 C ATOM 422 O CYS B 7 0.272 -15.929 -4.262 1.00 0.00 O ATOM 423 CB CYS B 7 -1.587 -13.462 -3.227 1.00 0.00 C ATOM 424 SG CYS B 7 -1.629 -12.921 -1.502 1.00 0.00 S ATOM 0 H CYS B 7 -0.242 -14.222 -5.813 1.00 0.00 H new ATOM 0 HA CYS B 7 0.482 -12.878 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.142 -12.746 -3.834 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.105 -14.418 -3.309 1.00 0.00 H new ATOM 429 N GLY B 8 1.165 -15.084 -2.371 1.00 0.00 N ATOM 430 CA GLY B 8 1.837 -16.319 -1.942 1.00 0.00 C ATOM 431 C GLY B 8 2.824 -16.830 -2.992 1.00 0.00 C ATOM 432 O GLY B 8 3.678 -16.084 -3.474 1.00 0.00 O ATOM 0 H GLY B 8 1.309 -14.302 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.365 -16.138 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.090 -17.087 -1.743 1.00 0.00 H new ATOM 436 N SER B 9 2.687 -18.098 -3.372 1.00 0.00 N ATOM 437 CA SER B 9 3.514 -18.758 -4.392 1.00 0.00 C ATOM 438 C SER B 9 3.549 -17.984 -5.719 1.00 0.00 C ATOM 439 O SER B 9 4.620 -17.823 -6.299 1.00 0.00 O ATOM 440 CB SER B 9 2.993 -20.181 -4.644 1.00 0.00 C ATOM 441 OG SER B 9 2.911 -20.923 -3.432 1.00 0.00 O ATOM 0 H SER B 9 1.981 -18.715 -2.972 1.00 0.00 H new ATOM 0 HA SER B 9 4.533 -18.789 -4.005 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.009 -20.133 -5.111 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.653 -20.694 -5.343 1.00 0.00 H new ATOM 0 HG SER B 9 2.575 -21.824 -3.622 1.00 0.00 H new ATOM 447 N HIS B 10 2.423 -17.415 -6.170 1.00 0.00 N ATOM 448 CA HIS B 10 2.362 -16.626 -7.411 1.00 0.00 C ATOM 449 C HIS B 10 3.236 -15.357 -7.350 1.00 0.00 C ATOM 450 O HIS B 10 3.880 -14.974 -8.330 1.00 0.00 O ATOM 451 CB HIS B 10 0.893 -16.266 -7.716 1.00 0.00 C ATOM 452 CG HIS B 10 0.424 -16.761 -9.059 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.038 -16.488 -10.283 1.00 0.00 N ATOM 454 CD2 HIS B 10 -0.678 -17.534 -9.278 1.00 0.00 C ATOM 455 CE1 HIS B 10 0.288 -17.106 -11.211 1.00 0.00 C ATOM 456 NE2 HIS B 10 -0.749 -17.742 -10.638 1.00 0.00 N ATOM 0 H HIS B 10 1.528 -17.488 -5.686 1.00 0.00 H new ATOM 0 HA HIS B 10 2.767 -17.238 -8.217 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.255 -16.686 -6.939 1.00 0.00 H new ATOM 0 HB3 HIS B 10 0.776 -15.183 -7.675 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -1.362 -17.910 -8.531 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.490 -17.094 -12.272 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.463 -18.284 -11.125 1.00 0.00 H new ATOM 464 N LEU B 11 3.287 -14.721 -6.173 1.00 0.00 N ATOM 465 CA LEU B 11 4.097 -13.528 -5.911 1.00 0.00 C ATOM 466 C LEU B 11 5.585 -13.890 -5.795 1.00 0.00 C ATOM 467 O LEU B 11 6.415 -13.231 -6.416 1.00 0.00 O ATOM 468 CB LEU B 11 3.535 -12.844 -4.647 1.00 0.00 C ATOM 469 CG LEU B 11 3.939 -11.368 -4.451 1.00 0.00 C ATOM 470 CD1 LEU B 11 3.340 -10.458 -5.531 1.00 0.00 C ATOM 471 CD2 LEU B 11 3.417 -10.897 -3.087 1.00 0.00 C ATOM 0 H LEU B 11 2.754 -15.029 -5.360 1.00 0.00 H new ATOM 0 HA LEU B 11 4.037 -12.824 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.447 -12.903 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.861 -13.410 -3.774 1.00 0.00 H new ATOM 0 HG LEU B 11 5.025 -11.306 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.651 -9.429 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.690 -10.778 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.252 -10.520 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.694 -9.854 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.331 -10.992 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.854 -11.510 -2.299 1.00 0.00 H new ATOM 483 N VAL B 12 5.917 -14.977 -5.091 1.00 0.00 N ATOM 484 CA VAL B 12 7.290 -15.526 -5.015 1.00 0.00 C ATOM 485 C VAL B 12 7.812 -15.909 -6.408 1.00 0.00 C ATOM 486 O VAL B 12 8.946 -15.578 -6.753 1.00 0.00 O ATOM 487 CB VAL B 12 7.352 -16.742 -4.061 1.00 0.00 C ATOM 488 CG1 VAL B 12 8.721 -17.443 -4.065 1.00 0.00 C ATOM 489 CG2 VAL B 12 7.041 -16.308 -2.621 1.00 0.00 C ATOM 0 H VAL B 12 5.238 -15.512 -4.549 1.00 0.00 H new ATOM 0 HA VAL B 12 7.934 -14.744 -4.613 1.00 0.00 H new ATOM 0 HB VAL B 12 6.606 -17.448 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.700 -18.287 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.944 -17.801 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL B 12 9.491 -16.738 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL B 12 7.088 -17.175 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.772 -15.566 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.042 -15.875 -2.579 1.00 0.00 H new ATOM 499 N GLU B 13 6.972 -16.555 -7.222 1.00 0.00 N ATOM 500 CA GLU B 13 7.261 -16.868 -8.625 1.00 0.00 C ATOM 501 C GLU B 13 7.535 -15.605 -9.449 1.00 0.00 C ATOM 502 O GLU B 13 8.530 -15.559 -10.168 1.00 0.00 O ATOM 503 CB GLU B 13 6.100 -17.655 -9.255 1.00 0.00 C ATOM 504 CG GLU B 13 6.222 -19.156 -8.973 1.00 0.00 C ATOM 505 CD GLU B 13 5.063 -19.946 -9.602 1.00 0.00 C ATOM 506 OE1 GLU B 13 5.037 -20.098 -10.848 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.186 -20.449 -8.860 1.00 0.00 O1- ATOM 0 H GLU B 13 6.054 -16.881 -6.919 1.00 0.00 H new ATOM 0 HA GLU B 13 8.162 -17.481 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.153 -17.286 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.086 -17.486 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.170 -19.525 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.236 -19.325 -7.896 1.00 0.00 H new ATOM 514 N ALA B 14 6.709 -14.560 -9.334 1.00 0.00 N ATOM 515 CA ALA B 14 6.944 -13.310 -10.045 1.00 0.00 C ATOM 516 C ALA B 14 8.279 -12.666 -9.649 1.00 0.00 C ATOM 517 O ALA B 14 9.069 -12.345 -10.536 1.00 0.00 O ATOM 518 CB ALA B 14 5.751 -12.394 -9.797 1.00 0.00 C ATOM 0 H ALA B 14 5.871 -14.560 -8.752 1.00 0.00 H new ATOM 0 HA ALA B 14 7.031 -13.502 -11.115 1.00 0.00 H new ATOM 0 HB1 ALA B 14 5.903 -11.450 -10.320 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.843 -12.871 -10.166 1.00 0.00 H new ATOM 0 HB3 ALA B 14 5.653 -12.205 -8.728 1.00 0.00 H new ATOM 524 N LEU B 15 8.575 -12.547 -8.347 1.00 0.00 N ATOM 525 CA LEU B 15 9.858 -12.020 -7.862 1.00 0.00 C ATOM 526 C LEU B 15 11.049 -12.814 -8.416 1.00 0.00 C ATOM 527 O LEU B 15 12.042 -12.206 -8.812 1.00 0.00 O ATOM 528 CB LEU B 15 9.885 -11.974 -6.315 1.00 0.00 C ATOM 529 CG LEU B 15 9.431 -10.652 -5.655 1.00 0.00 C ATOM 530 CD1 LEU B 15 10.292 -9.454 -6.095 1.00 0.00 C ATOM 531 CD2 LEU B 15 7.940 -10.363 -5.871 1.00 0.00 C ATOM 0 H LEU B 15 7.932 -12.813 -7.601 1.00 0.00 H new ATOM 0 HA LEU B 15 9.954 -11.000 -8.234 1.00 0.00 H new ATOM 0 HB2 LEU B 15 9.252 -12.778 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU B 15 10.902 -12.188 -5.985 1.00 0.00 H new ATOM 0 HG LEU B 15 9.580 -10.792 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU B 15 9.934 -8.549 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU B 15 11.331 -9.631 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.222 -9.333 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.678 -9.423 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU B 15 7.735 -10.290 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.347 -11.171 -5.442 1.00 0.00 H new ATOM 543 N TYR B 16 10.945 -14.140 -8.544 1.00 0.00 N ATOM 544 CA TYR B 16 11.964 -14.928 -9.241 1.00 0.00 C ATOM 545 C TYR B 16 12.104 -14.517 -10.714 1.00 0.00 C ATOM 546 O TYR B 16 13.222 -14.299 -11.177 1.00 0.00 O ATOM 547 CB TYR B 16 11.667 -16.429 -9.147 1.00 0.00 C ATOM 548 CG TYR B 16 12.763 -17.250 -9.803 1.00 0.00 C ATOM 549 CD1 TYR B 16 13.973 -17.482 -9.119 1.00 0.00 C ATOM 550 CD2 TYR B 16 12.618 -17.683 -11.136 1.00 0.00 C ATOM 551 CE1 TYR B 16 15.037 -18.140 -9.764 1.00 0.00 C ATOM 552 CE2 TYR B 16 13.677 -18.344 -11.786 1.00 0.00 C ATOM 553 CZ TYR B 16 14.894 -18.570 -11.103 1.00 0.00 C ATOM 554 OH TYR B 16 15.926 -19.190 -11.742 1.00 0.00 O ATOM 0 H TYR B 16 10.168 -14.688 -8.175 1.00 0.00 H new ATOM 0 HA TYR B 16 12.910 -14.722 -8.741 1.00 0.00 H new ATOM 0 HB2 TYR B 16 11.570 -16.718 -8.100 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.712 -16.644 -9.627 1.00 0.00 H new ATOM 0 HD1 TYR B 16 14.084 -17.154 -8.096 1.00 0.00 H new ATOM 0 HD2 TYR B 16 11.691 -17.507 -11.661 1.00 0.00 H new ATOM 0 HE1 TYR B 16 15.962 -18.316 -9.236 1.00 0.00 H new ATOM 0 HE2 TYR B 16 13.560 -18.678 -12.806 1.00 0.00 H new ATOM 0 HH TYR B 16 15.655 -19.419 -12.655 1.00 0.00 H new ATOM 564 N LEU B 17 10.996 -14.367 -11.446 1.00 0.00 N ATOM 565 CA LEU B 17 11.028 -13.986 -12.860 1.00 0.00 C ATOM 566 C LEU B 17 11.649 -12.597 -13.075 1.00 0.00 C ATOM 567 O LEU B 17 12.537 -12.462 -13.915 1.00 0.00 O ATOM 568 CB LEU B 17 9.611 -14.044 -13.462 1.00 0.00 C ATOM 569 CG LEU B 17 8.964 -15.440 -13.539 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.508 -15.293 -14.003 1.00 0.00 C ATOM 571 CD2 LEU B 17 9.724 -16.383 -14.481 1.00 0.00 C ATOM 0 H LEU B 17 10.056 -14.506 -11.076 1.00 0.00 H new ATOM 0 HA LEU B 17 11.665 -14.705 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.961 -13.397 -12.873 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.648 -13.627 -14.468 1.00 0.00 H new ATOM 0 HG LEU B 17 9.002 -15.885 -12.545 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.043 -16.277 -14.060 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.960 -14.674 -13.293 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.485 -14.823 -14.986 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.229 -17.354 -14.501 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.736 -15.961 -15.486 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.747 -16.505 -14.126 1.00 0.00 H new ATOM 583 N VAL B 18 11.212 -11.578 -12.324 1.00 0.00 N ATOM 584 CA VAL B 18 11.696 -10.191 -12.525 1.00 0.00 C ATOM 585 C VAL B 18 13.087 -9.963 -11.928 1.00 0.00 C ATOM 586 O VAL B 18 13.903 -9.278 -12.542 1.00 0.00 O ATOM 587 CB VAL B 18 10.763 -9.073 -11.988 1.00 0.00 C ATOM 588 CG1 VAL B 18 10.502 -8.018 -13.066 1.00 0.00 C ATOM 589 CG2 VAL B 18 9.436 -9.543 -11.418 1.00 0.00 C ATOM 0 H VAL B 18 10.528 -11.679 -11.574 1.00 0.00 H new ATOM 0 HA VAL B 18 11.720 -10.109 -13.612 1.00 0.00 H new ATOM 0 HB VAL B 18 11.314 -8.649 -11.148 1.00 0.00 H new ATOM 0 HG11 VAL B 18 9.846 -7.245 -12.667 1.00 0.00 H new ATOM 0 HG12 VAL B 18 11.447 -7.569 -13.372 1.00 0.00 H new ATOM 0 HG13 VAL B 18 10.027 -8.488 -13.927 1.00 0.00 H new ATOM 0 HG21 VAL B 18 8.863 -8.682 -11.072 1.00 0.00 H new ATOM 0 HG22 VAL B 18 8.873 -10.067 -12.191 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.618 -10.218 -10.582 1.00 0.00 H new ATOM 599 N CYS B 19 13.352 -10.505 -10.731 1.00 0.00 N ATOM 600 CA CYS B 19 14.556 -10.183 -9.956 1.00 0.00 C ATOM 601 C CYS B 19 15.566 -11.342 -9.852 1.00 0.00 C ATOM 602 O CYS B 19 16.775 -11.113 -9.929 1.00 0.00 O ATOM 603 CB CYS B 19 14.131 -9.726 -8.554 1.00 0.00 C ATOM 604 SG CYS B 19 15.473 -8.966 -7.604 1.00 0.00 S ATOM 0 H CYS B 19 12.737 -11.179 -10.274 1.00 0.00 H new ATOM 0 HA CYS B 19 15.077 -9.388 -10.490 1.00 0.00 H new ATOM 0 HB2 CYS B 19 13.312 -9.012 -8.646 1.00 0.00 H new ATOM 0 HB3 CYS B 19 13.746 -10.584 -8.002 1.00 0.00 H new ATOM 609 N GLY B 20 15.096 -12.585 -9.689 1.00 0.00 N ATOM 610 CA GLY B 20 15.943 -13.749 -9.365 1.00 0.00 C ATOM 611 C GLY B 20 16.644 -14.367 -10.578 1.00 0.00 C ATOM 612 O GLY B 20 17.798 -14.786 -10.480 1.00 0.00 O ATOM 0 H GLY B 20 14.107 -12.818 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY B 20 16.697 -13.446 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY B 20 15.328 -14.511 -8.887 1.00 0.00 H new ATOM 616 N GLU B 21 15.969 -14.393 -11.729 1.00 0.00 N ATOM 617 CA GLU B 21 16.449 -14.974 -12.987 1.00 0.00 C ATOM 618 C GLU B 21 17.400 -14.036 -13.767 1.00 0.00 C ATOM 619 O GLU B 21 17.890 -14.398 -14.837 1.00 0.00 O ATOM 620 CB GLU B 21 15.218 -15.415 -13.805 1.00 0.00 C ATOM 621 CG GLU B 21 15.566 -16.376 -14.951 1.00 0.00 C ATOM 622 CD GLU B 21 14.358 -17.204 -15.418 1.00 0.00 C ATOM 623 OE1 GLU B 21 13.269 -16.631 -15.645 1.00 0.00 O1- ATOM 624 OE2 GLU B 21 14.508 -18.438 -15.581 1.00 0.00 O ATOM 0 H GLU B 21 15.034 -13.994 -11.815 1.00 0.00 H new ATOM 0 HA GLU B 21 17.069 -15.844 -12.772 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.502 -15.897 -13.140 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.728 -14.532 -14.216 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.957 -15.805 -15.793 1.00 0.00 H new ATOM 0 HG3 GLU B 21 16.359 -17.049 -14.627 1.00 0.00 H new ATOM 631 N ARG B 22 17.716 -12.849 -13.226 1.00 0.00 N ATOM 632 CA ARG B 22 18.579 -11.812 -13.826 1.00 0.00 C ATOM 633 C ARG B 22 20.017 -12.254 -14.188 1.00 0.00 C ATOM 634 O ARG B 22 20.739 -11.485 -14.828 1.00 0.00 O ATOM 635 CB ARG B 22 18.609 -10.583 -12.890 1.00 0.00 C ATOM 636 CG ARG B 22 17.342 -9.712 -12.968 1.00 0.00 C ATOM 637 CD ARG B 22 17.289 -8.913 -14.278 1.00 0.00 C ATOM 638 NE ARG B 22 16.166 -7.961 -14.304 1.00 0.00 N ATOM 639 CZ ARG B 22 15.829 -7.183 -15.325 1.00 0.00 C ATOM 640 NH1 ARG B 22 16.440 -7.242 -16.491 1.00 0.00 N ATOM 641 NH2 ARG B 22 14.864 -6.308 -15.173 1.00 0.00 N1+ ATOM 0 H ARG B 22 17.360 -12.570 -12.312 1.00 0.00 H new ATOM 0 HA ARG B 22 18.128 -11.574 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG B 22 18.742 -10.923 -11.863 1.00 0.00 H new ATOM 0 HB3 ARG B 22 19.476 -9.970 -13.138 1.00 0.00 H new ATOM 0 HG2 ARG B 22 16.458 -10.345 -12.891 1.00 0.00 H new ATOM 0 HG3 ARG B 22 17.318 -9.026 -12.121 1.00 0.00 H new ATOM 0 HD2 ARG B 22 18.226 -8.371 -14.409 1.00 0.00 H new ATOM 0 HD3 ARG B 22 17.199 -9.602 -15.118 1.00 0.00 H new ATOM 0 HE ARG B 22 15.596 -7.893 -13.461 1.00 0.00 H new ATOM 0 HH11 ARG B 22 17.203 -7.904 -16.634 1.00 0.00 H new ATOM 0 HH12 ARG B 22 16.150 -6.626 -17.250 1.00 0.00 H new ATOM 0 HH21 ARG B 22 14.382 -6.231 -14.278 1.00 0.00 H new ATOM 0 HH22 ARG B 22 14.596 -5.704 -15.950 1.00 0.00 H new ATOM 655 N GLY B 23 20.429 -13.484 -13.851 1.00 0.00 N ATOM 656 CA GLY B 23 21.669 -14.114 -14.336 1.00 0.00 C ATOM 657 C GLY B 23 21.688 -14.358 -15.850 1.00 0.00 C ATOM 658 O GLY B 23 22.758 -14.382 -16.456 1.00 0.00 O ATOM 0 H GLY B 23 19.899 -14.084 -13.219 1.00 0.00 H new ATOM 0 HA2 GLY B 23 22.515 -13.481 -14.069 1.00 0.00 H new ATOM 0 HA3 GLY B 23 21.807 -15.065 -13.822 1.00 0.00 H new ATOM 662 N HIS B 24 20.508 -14.496 -16.462 1.00 0.00 N ATOM 663 CA HIS B 24 20.314 -14.564 -17.925 1.00 0.00 C ATOM 664 C HIS B 24 19.031 -13.863 -18.439 1.00 0.00 C ATOM 665 O HIS B 24 18.984 -13.433 -19.594 1.00 0.00 O ATOM 666 CB HIS B 24 20.353 -16.035 -18.368 1.00 0.00 C ATOM 667 CG HIS B 24 19.210 -16.868 -17.853 1.00 0.00 C ATOM 668 ND1 HIS B 24 17.998 -17.080 -18.515 1.00 0.00 N ATOM 669 CD2 HIS B 24 19.193 -17.536 -16.666 1.00 0.00 C ATOM 670 CE1 HIS B 24 17.285 -17.883 -17.708 1.00 0.00 C ATOM 671 NE2 HIS B 24 17.976 -18.175 -16.592 1.00 0.00 N ATOM 0 H HIS B 24 19.632 -14.566 -15.944 1.00 0.00 H new ATOM 0 HA HIS B 24 21.133 -14.004 -18.377 1.00 0.00 H new ATOM 0 HB2 HIS B 24 20.354 -16.074 -19.457 1.00 0.00 H new ATOM 0 HB3 HIS B 24 21.290 -16.479 -18.032 1.00 0.00 H new ATOM 0 HD2 HIS B 24 19.980 -17.560 -15.927 1.00 0.00 H new ATOM 0 HE1 HIS B 24 16.291 -18.245 -17.926 1.00 0.00 H new ATOM 0 HE2 HIS B 24 17.655 -18.766 -15.825 1.00 0.00 H new ATOM 679 N PHE B 25 18.018 -13.720 -17.574 1.00 0.00 N ATOM 680 CA PHE B 25 16.766 -12.989 -17.772 1.00 0.00 C ATOM 681 C PHE B 25 15.938 -13.485 -18.971 1.00 0.00 C ATOM 682 O PHE B 25 15.689 -12.763 -19.940 1.00 0.00 O ATOM 683 CB PHE B 25 17.014 -11.469 -17.764 1.00 0.00 C ATOM 684 CG PHE B 25 15.746 -10.650 -17.580 1.00 0.00 C ATOM 685 CD1 PHE B 25 15.021 -10.736 -16.374 1.00 0.00 C ATOM 686 CD2 PHE B 25 15.280 -9.813 -18.611 1.00 0.00 C ATOM 687 CE1 PHE B 25 13.844 -9.988 -16.203 1.00 0.00 C ATOM 688 CE2 PHE B 25 14.098 -9.068 -18.439 1.00 0.00 C ATOM 689 CZ PHE B 25 13.380 -9.154 -17.234 1.00 0.00 C ATOM 0 H PHE B 25 18.059 -14.146 -16.648 1.00 0.00 H new ATOM 0 HA PHE B 25 16.126 -13.210 -16.918 1.00 0.00 H new ATOM 0 HB2 PHE B 25 17.713 -11.227 -16.964 1.00 0.00 H new ATOM 0 HB3 PHE B 25 17.490 -11.181 -18.701 1.00 0.00 H new ATOM 0 HD1 PHE B 25 15.371 -11.378 -15.580 1.00 0.00 H new ATOM 0 HD2 PHE B 25 15.831 -9.742 -19.537 1.00 0.00 H new ATOM 0 HE1 PHE B 25 13.294 -10.054 -15.276 1.00 0.00 H new ATOM 0 HE2 PHE B 25 13.742 -8.429 -19.234 1.00 0.00 H new ATOM 0 HZ PHE B 25 12.474 -8.581 -17.101 1.00 0.00 H new ATOM 699 N TYR B 26 15.464 -14.730 -18.883 1.00 0.00 N ATOM 700 CA TYR B 26 14.322 -15.185 -19.686 1.00 0.00 C ATOM 701 C TYR B 26 13.030 -14.436 -19.294 1.00 0.00 C ATOM 702 O TYR B 26 12.859 -14.023 -18.141 1.00 0.00 O ATOM 703 CB TYR B 26 14.145 -16.703 -19.536 1.00 0.00 C ATOM 704 CG TYR B 26 13.019 -17.262 -20.387 1.00 0.00 C ATOM 705 CD1 TYR B 26 13.151 -17.262 -21.789 1.00 0.00 C ATOM 706 CD2 TYR B 26 11.821 -17.713 -19.796 1.00 0.00 C ATOM 707 CE1 TYR B 26 12.092 -17.704 -22.602 1.00 0.00 C ATOM 708 CE2 TYR B 26 10.767 -18.177 -20.605 1.00 0.00 C ATOM 709 CZ TYR B 26 10.893 -18.167 -22.012 1.00 0.00 C ATOM 710 OH TYR B 26 9.861 -18.597 -22.790 1.00 0.00 O ATOM 0 H TYR B 26 15.852 -15.442 -18.264 1.00 0.00 H new ATOM 0 HA TYR B 26 14.525 -14.959 -20.733 1.00 0.00 H new ATOM 0 HB2 TYR B 26 15.077 -17.199 -19.807 1.00 0.00 H new ATOM 0 HB3 TYR B 26 13.951 -16.938 -18.489 1.00 0.00 H new ATOM 0 HD1 TYR B 26 14.070 -16.921 -22.242 1.00 0.00 H new ATOM 0 HD2 TYR B 26 11.712 -17.702 -18.722 1.00 0.00 H new ATOM 0 HE1 TYR B 26 12.194 -17.690 -23.677 1.00 0.00 H new ATOM 0 HE2 TYR B 26 9.859 -18.542 -20.149 1.00 0.00 H new ATOM 0 HH TYR B 26 9.117 -18.881 -22.219 1.00 0.00 H new ATOM 720 N THR B 27 12.106 -14.289 -20.251 1.00 0.00 N ATOM 721 CA THR B 27 10.762 -13.724 -20.050 1.00 0.00 C ATOM 722 C THR B 27 9.720 -14.712 -20.590 1.00 0.00 C ATOM 723 O THR B 27 9.768 -15.026 -21.782 1.00 0.00 O ATOM 724 CB THR B 27 10.632 -12.340 -20.709 1.00 0.00 C ATOM 725 OG1 THR B 27 11.056 -12.377 -22.056 1.00 0.00 O ATOM 726 CG2 THR B 27 11.481 -11.299 -19.974 1.00 0.00 C ATOM 0 H THR B 27 12.276 -14.568 -21.217 1.00 0.00 H new ATOM 0 HA THR B 27 10.588 -13.575 -18.984 1.00 0.00 H new ATOM 0 HB THR B 27 9.579 -12.064 -20.658 1.00 0.00 H new ATOM 0 HG1 THR B 27 10.962 -11.486 -22.453 1.00 0.00 H new ATOM 0 HG21 THR B 27 11.370 -10.330 -20.461 1.00 0.00 H new ATOM 0 HG22 THR B 27 11.150 -11.225 -18.938 1.00 0.00 H new ATOM 0 HG23 THR B 27 12.528 -11.600 -19.999 1.00 0.00 H new ATOM 734 N PRO B 28 8.792 -15.231 -19.761 1.00 0.00 N ATOM 735 CA PRO B 28 7.766 -16.166 -20.210 1.00 0.00 C ATOM 736 C PRO B 28 6.581 -15.430 -20.847 1.00 0.00 C ATOM 737 O PRO B 28 6.307 -14.267 -20.544 1.00 0.00 O ATOM 738 CB PRO B 28 7.361 -16.942 -18.956 1.00 0.00 C ATOM 739 CG PRO B 28 7.509 -15.894 -17.855 1.00 0.00 C ATOM 740 CD PRO B 28 8.728 -15.089 -18.309 1.00 0.00 C ATOM 0 HA PRO B 28 8.131 -16.836 -20.988 1.00 0.00 H new ATOM 0 HB2 PRO B 28 6.340 -17.318 -19.024 1.00 0.00 H new ATOM 0 HB3 PRO B 28 8.007 -17.803 -18.786 1.00 0.00 H new ATOM 0 HG2 PRO B 28 6.620 -15.268 -17.771 1.00 0.00 H new ATOM 0 HG3 PRO B 28 7.669 -16.353 -16.879 1.00 0.00 H new ATOM 0 HD2 PRO B 28 8.631 -14.041 -18.024 1.00 0.00 H new ATOM 0 HD3 PRO B 28 9.638 -15.463 -17.841 1.00 0.00 H new ATOM 748 N LYS B 29 5.861 -16.136 -21.722 1.00 0.00 N ATOM 749 CA LYS B 29 4.697 -15.657 -22.474 1.00 0.00 C ATOM 750 C LYS B 29 3.805 -16.810 -22.997 1.00 0.00 C ATOM 751 O LYS B 29 4.235 -17.969 -23.008 1.00 0.00 O ATOM 752 CB LYS B 29 5.151 -14.713 -23.609 1.00 0.00 C ATOM 753 CG LYS B 29 6.003 -15.344 -24.734 1.00 0.00 C ATOM 754 CD LYS B 29 7.524 -15.343 -24.503 1.00 0.00 C ATOM 755 CE LYS B 29 8.099 -13.917 -24.506 1.00 0.00 C ATOM 756 NZ LYS B 29 9.576 -13.920 -24.362 1.00 0.00 N1+ ATOM 0 H LYS B 29 6.085 -17.108 -21.937 1.00 0.00 H new ATOM 0 HA LYS B 29 4.068 -15.092 -21.786 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.263 -14.272 -24.061 1.00 0.00 H new ATOM 0 HB3 LYS B 29 5.722 -13.897 -23.166 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.677 -16.374 -24.876 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.795 -14.813 -25.663 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.748 -15.824 -23.551 1.00 0.00 H new ATOM 0 HD3 LYS B 29 8.010 -15.933 -25.280 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.825 -13.416 -25.435 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.655 -13.344 -23.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.932 -12.945 -24.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 9.834 -14.330 -23.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.998 -14.488 -25.124 1.00 0.00 H new ATOM 770 N THR B 30 2.579 -16.461 -23.422 1.00 0.00 N ATOM 771 CA THR B 30 1.542 -17.309 -24.069 1.00 0.00 C ATOM 772 C THR B 30 0.691 -18.062 -23.040 1.00 0.00 C ATOM 773 O THR B 30 -0.502 -17.711 -22.899 1.00 0.00 O ATOM 774 CB THR B 30 2.103 -18.272 -25.131 1.00 0.00 C ATOM 775 OG1 THR B 30 2.905 -17.537 -26.038 1.00 0.00 O ATOM 776 CG2 THR B 30 0.990 -18.936 -25.949 1.00 0.00 C ATOM 777 OXT THR B 30 1.207 -18.976 -22.356 1.00 0.00 O1- ATOM 0 H THR B 30 2.253 -15.500 -23.317 1.00 0.00 H new ATOM 0 HA THR B 30 0.895 -16.611 -24.601 1.00 0.00 H new ATOM 0 HB THR B 30 2.670 -19.041 -24.607 1.00 0.00 H new ATOM 0 HG1 THR B 30 3.269 -18.142 -26.718 1.00 0.00 H new ATOM 0 HG21 THR B 30 1.431 -19.607 -26.686 1.00 0.00 H new ATOM 0 HG22 THR B 30 0.340 -19.504 -25.284 1.00 0.00 H new ATOM 0 HG23 THR B 30 0.407 -18.169 -26.459 1.00 0.00 H new TER 785 THR B 30