USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 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: A 1 GLY N :NH3+ -106:sc= 0.367 (180deg=0) USER MOD Set 1.2: A 18 ASN : amide:sc= 0.0199 K(o=0.39,f=-2.3) USER MOD Single : A 5 GLN : amide:sc= -0.0194 K(o=-0.019,f=-2.3!) 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= 0.0312 K(o=0.031,f=-4.1!) USER MOD Single : A 19 TYR OH : rot 100:sc= -0.187 USER MOD Single : A 21 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.087) USER MOD Single : B 1 PHE N :NH3+ -137:sc= 0.0352 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.16) USER MOD Single : B 4 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.069) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 130:sc= 0 USER MOD Single : B 27 THR OG1 : rot -122:sc= 0.592 USER MOD Single : B 29 LYS NZ :NH3+ 159:sc= 0.823 (180deg=0.533) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.657 20.242 -11.603 1.00 0.00 N ATOM 2 CA GLY A 1 -21.539 21.193 -10.892 1.00 0.00 C ATOM 3 C GLY A 1 -23.016 20.839 -11.033 1.00 0.00 C ATOM 4 O GLY A 1 -23.344 19.713 -11.384 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.180 19.628 -10.912 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.225 19.659 -12.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.944 20.769 -12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.272 21.210 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.371 22.198 -11.279 1.00 0.00 H new ATOM 10 N ILE A 2 -23.889 21.802 -10.741 1.00 0.00 N ATOM 11 CA ILE A 2 -25.105 21.530 -9.955 1.00 0.00 C ATOM 12 C ILE A 2 -26.379 22.277 -10.335 1.00 0.00 C ATOM 13 O ILE A 2 -27.453 21.854 -9.956 1.00 0.00 O ATOM 14 CB ILE A 2 -24.688 21.945 -8.559 1.00 0.00 C ATOM 15 CG1 ILE A 2 -25.562 21.385 -7.444 1.00 0.00 C ATOM 16 CG2 ILE A 2 -24.436 23.461 -8.422 1.00 0.00 C ATOM 17 CD1 ILE A 2 -24.821 21.582 -6.135 1.00 0.00 C ATOM 0 H ILE A 2 -23.784 22.774 -11.032 1.00 0.00 H new ATOM 0 HA ILE A 2 -25.396 20.491 -10.107 1.00 0.00 H new ATOM 0 HB ILE A 2 -23.720 21.464 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -26.525 21.896 -7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -25.766 20.328 -7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -24.141 23.690 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.641 23.761 -9.104 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -25.348 24.005 -8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -25.422 21.190 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -23.869 21.053 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -24.639 22.645 -5.976 1.00 0.00 H new ATOM 29 N VAL A 3 -26.275 23.412 -11.014 1.00 0.00 N ATOM 30 CA VAL A 3 -27.360 24.401 -11.036 1.00 0.00 C ATOM 31 C VAL A 3 -28.444 23.973 -12.011 1.00 0.00 C ATOM 32 O VAL A 3 -29.633 23.867 -11.726 1.00 0.00 O ATOM 33 CB VAL A 3 -26.823 25.802 -11.350 1.00 0.00 C ATOM 34 CG1 VAL A 3 -27.919 26.805 -11.683 1.00 0.00 C ATOM 35 CG2 VAL A 3 -26.052 26.366 -10.147 1.00 0.00 C ATOM 0 H VAL A 3 -25.454 23.676 -11.558 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.809 24.450 -10.044 1.00 0.00 H new ATOM 0 HB VAL A 3 -26.180 25.675 -12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.471 27.776 -11.895 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.473 26.462 -12.557 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.599 26.896 -10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.678 27.361 -10.388 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -26.717 26.427 -9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.213 25.710 -9.913 1.00 0.00 H new ATOM 45 N GLU A 4 -27.909 23.682 -13.184 1.00 0.00 N ATOM 46 CA GLU A 4 -28.550 23.431 -14.474 1.00 0.00 C ATOM 47 C GLU A 4 -28.245 22.058 -15.079 1.00 0.00 C ATOM 48 O GLU A 4 -29.044 21.417 -15.758 1.00 0.00 O ATOM 49 CB GLU A 4 -28.062 24.610 -15.338 1.00 0.00 C ATOM 50 CG GLU A 4 -26.554 24.557 -15.671 1.00 0.00 C ATOM 51 CD GLU A 4 -26.033 25.848 -16.336 1.00 0.00 C ATOM 52 OE1 GLU A 4 -25.355 26.699 -15.753 1.00 0.00 O ATOM 53 OE2 GLU A 4 -26.344 25.982 -17.650 1.00 0.00 O ATOM 0 H GLU A 4 -26.896 23.606 -13.270 1.00 0.00 H new ATOM 0 HA GLU A 4 -29.636 23.385 -14.390 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -28.630 24.626 -16.268 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -28.277 25.543 -14.817 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.992 24.376 -14.755 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -26.364 23.713 -16.334 1.00 0.00 H new ATOM 61 N GLN A 5 -27.099 21.572 -14.675 1.00 0.00 N ATOM 62 CA GLN A 5 -26.607 20.219 -14.718 1.00 0.00 C ATOM 63 C GLN A 5 -27.609 19.193 -14.148 1.00 0.00 C ATOM 64 O GLN A 5 -27.656 18.060 -14.617 1.00 0.00 O ATOM 65 CB GLN A 5 -25.337 20.216 -13.851 1.00 0.00 C ATOM 66 CG GLN A 5 -24.311 21.319 -14.164 1.00 0.00 C ATOM 67 CD GLN A 5 -23.914 21.428 -15.633 1.00 0.00 C ATOM 68 OE1 GLN A 5 -24.203 22.409 -16.311 1.00 0.00 O ATOM 69 NE2 GLN A 5 -23.185 20.486 -16.193 1.00 0.00 N ATOM 0 H GLN A 5 -26.405 22.192 -14.257 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.430 19.926 -15.753 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -25.633 20.307 -12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.847 19.248 -13.960 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.719 22.277 -13.841 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.413 21.139 -13.572 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.926 19.656 -15.659 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.879 20.586 -17.161 1.00 0.00 H new ATOM 78 N CYS A 6 -28.381 19.616 -13.144 1.00 0.00 N ATOM 79 CA CYS A 6 -29.485 18.935 -12.446 1.00 0.00 C ATOM 80 C CYS A 6 -30.897 19.330 -12.902 1.00 0.00 C ATOM 81 O CYS A 6 -31.834 18.540 -12.744 1.00 0.00 O ATOM 82 CB CYS A 6 -29.347 19.278 -10.981 1.00 0.00 C ATOM 83 SG CYS A 6 -27.994 18.458 -10.071 1.00 0.00 S ATOM 0 H CYS A 6 -28.235 20.547 -12.754 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.397 17.872 -12.669 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -29.210 20.356 -10.895 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.287 19.035 -10.485 1.00 0.00 H new ATOM 88 N CYS A 7 -31.061 20.515 -13.508 1.00 0.00 N ATOM 89 CA CYS A 7 -32.252 20.910 -14.244 1.00 0.00 C ATOM 90 C CYS A 7 -32.428 20.057 -15.536 1.00 0.00 C ATOM 91 O CYS A 7 -33.543 19.761 -15.943 1.00 0.00 O ATOM 92 CB CYS A 7 -32.053 22.398 -14.541 1.00 0.00 C ATOM 93 SG CYS A 7 -33.507 23.320 -15.160 1.00 0.00 S ATOM 0 H CYS A 7 -30.343 21.240 -13.494 1.00 0.00 H new ATOM 0 HA CYS A 7 -33.168 20.742 -13.677 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -31.707 22.883 -13.628 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -31.253 22.493 -15.275 1.00 0.00 H new ATOM 98 N ALA A 8 -31.314 19.590 -16.121 1.00 0.00 N ATOM 99 CA ALA A 8 -31.263 18.353 -16.888 1.00 0.00 C ATOM 100 C ALA A 8 -31.189 17.128 -15.960 1.00 0.00 C ATOM 101 O ALA A 8 -30.473 17.128 -14.945 1.00 0.00 O ATOM 102 CB ALA A 8 -30.027 18.446 -17.788 1.00 0.00 C ATOM 0 H ALA A 8 -30.417 20.073 -16.069 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.166 18.228 -17.485 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.943 17.539 -18.386 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.122 19.308 -18.448 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.135 18.557 -17.171 1.00 0.00 H new ATOM 108 N SER A 9 -31.982 16.097 -16.255 1.00 0.00 N ATOM 109 CA SER A 9 -32.430 15.110 -15.293 1.00 0.00 C ATOM 110 C SER A 9 -31.391 14.170 -14.680 1.00 0.00 C ATOM 111 O SER A 9 -30.271 14.039 -15.145 1.00 0.00 O ATOM 112 CB SER A 9 -33.508 14.308 -16.017 1.00 0.00 C ATOM 113 OG SER A 9 -34.542 15.111 -16.566 1.00 0.00 O ATOM 0 H SER A 9 -32.335 15.928 -17.197 1.00 0.00 H new ATOM 0 HA SER A 9 -32.767 15.658 -14.413 1.00 0.00 H new ATOM 0 HB2 SER A 9 -33.044 13.731 -16.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 -33.946 13.593 -15.321 1.00 0.00 H new ATOM 0 HG SER A 9 -35.197 14.538 -17.016 1.00 0.00 H new ATOM 119 N VAL A 10 -31.848 13.488 -13.637 1.00 0.00 N ATOM 120 CA VAL A 10 -31.139 12.564 -12.765 1.00 0.00 C ATOM 121 C VAL A 10 -29.609 12.778 -12.646 1.00 0.00 C ATOM 122 O VAL A 10 -28.813 11.939 -13.073 1.00 0.00 O ATOM 123 CB VAL A 10 -31.608 11.114 -13.058 1.00 0.00 C ATOM 124 CG1 VAL A 10 -32.847 10.823 -12.202 1.00 0.00 C ATOM 125 CG2 VAL A 10 -32.021 10.856 -14.509 1.00 0.00 C ATOM 0 H VAL A 10 -32.824 13.579 -13.354 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.424 12.796 -11.739 1.00 0.00 H new ATOM 0 HB VAL A 10 -30.751 10.478 -12.836 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -33.192 9.807 -12.394 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -32.593 10.926 -11.147 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -33.638 11.529 -12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -32.333 9.818 -14.619 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -32.849 11.514 -14.774 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -31.176 11.052 -15.168 1.00 0.00 H new ATOM 135 N CYS A 11 -29.224 13.917 -12.051 1.00 0.00 N ATOM 136 CA CYS A 11 -27.839 14.225 -11.666 1.00 0.00 C ATOM 137 C CYS A 11 -27.404 13.432 -10.416 1.00 0.00 C ATOM 138 O CYS A 11 -28.223 13.004 -9.604 1.00 0.00 O ATOM 139 CB CYS A 11 -27.678 15.743 -11.438 1.00 0.00 C ATOM 140 SG CYS A 11 -28.554 16.485 -10.035 1.00 0.00 S ATOM 0 H CYS A 11 -29.879 14.664 -11.820 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.186 13.920 -12.484 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.615 15.953 -11.318 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -28.003 16.254 -12.344 1.00 0.00 H new ATOM 145 N SER A 12 -26.103 13.211 -10.285 1.00 0.00 N ATOM 146 CA SER A 12 -25.460 12.482 -9.223 1.00 0.00 C ATOM 147 C SER A 12 -25.151 13.329 -8.023 1.00 0.00 C ATOM 148 O SER A 12 -25.248 14.554 -7.979 1.00 0.00 O ATOM 149 CB SER A 12 -24.175 11.871 -9.817 1.00 0.00 C ATOM 150 OG SER A 12 -24.439 11.022 -10.941 1.00 0.00 O ATOM 0 H SER A 12 -25.433 13.564 -10.968 1.00 0.00 H new ATOM 0 HA SER A 12 -26.137 11.712 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.503 12.673 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 12 -23.659 11.298 -9.046 1.00 0.00 H new ATOM 0 HG SER A 12 -23.595 10.660 -11.283 1.00 0.00 H new ATOM 156 N LEU A 13 -24.738 12.620 -6.988 1.00 0.00 N ATOM 157 CA LEU A 13 -24.463 13.139 -5.662 1.00 0.00 C ATOM 158 C LEU A 13 -23.231 14.030 -5.731 1.00 0.00 C ATOM 159 O LEU A 13 -23.199 15.094 -5.145 1.00 0.00 O ATOM 160 CB LEU A 13 -24.194 11.907 -4.790 1.00 0.00 C ATOM 161 CG LEU A 13 -25.336 10.875 -4.683 1.00 0.00 C ATOM 162 CD1 LEU A 13 -26.717 11.378 -5.090 1.00 0.00 C ATOM 163 CD2 LEU A 13 -25.053 9.610 -5.465 1.00 0.00 C ATOM 0 H LEU A 13 -24.577 11.615 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.283 13.733 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.311 11.400 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -23.948 12.248 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 13 -25.363 10.670 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -27.445 10.574 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -27.001 12.217 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -26.694 11.703 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -25.889 8.919 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -24.922 9.855 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -24.144 9.143 -5.085 1.00 0.00 H new ATOM 175 N TYR A 14 -22.267 13.687 -6.551 1.00 0.00 N ATOM 176 CA TYR A 14 -21.093 14.482 -6.813 1.00 0.00 C ATOM 177 C TYR A 14 -21.300 15.864 -7.371 1.00 0.00 C ATOM 178 O TYR A 14 -20.623 16.835 -7.002 1.00 0.00 O ATOM 179 CB TYR A 14 -20.350 13.634 -7.809 1.00 0.00 C ATOM 180 CG TYR A 14 -20.076 12.284 -7.304 1.00 0.00 C ATOM 181 CD1 TYR A 14 -19.338 12.145 -6.122 1.00 0.00 C ATOM 182 CD2 TYR A 14 -20.778 11.213 -7.876 1.00 0.00 C ATOM 183 CE1 TYR A 14 -19.289 10.889 -5.507 1.00 0.00 C ATOM 184 CE2 TYR A 14 -20.776 9.983 -7.208 1.00 0.00 C ATOM 185 CZ TYR A 14 -19.999 9.798 -6.053 1.00 0.00 C ATOM 186 OH TYR A 14 -19.942 8.566 -5.481 1.00 0.00 O ATOM 0 H TYR A 14 -22.280 12.812 -7.074 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.587 14.699 -5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.933 13.563 -8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.409 14.121 -8.065 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.818 12.989 -5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.307 11.334 -8.809 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.704 10.754 -4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.378 9.169 -7.584 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.495 7.941 -5.995 1.00 0.00 H new ATOM 196 N GLN A 15 -22.301 15.950 -8.212 1.00 0.00 N ATOM 197 CA GLN A 15 -22.779 17.197 -8.794 1.00 0.00 C ATOM 198 C GLN A 15 -23.396 18.074 -7.709 1.00 0.00 C ATOM 199 O GLN A 15 -23.118 19.264 -7.587 1.00 0.00 O ATOM 200 CB GLN A 15 -23.796 16.837 -9.844 1.00 0.00 C ATOM 201 CG GLN A 15 -23.211 15.933 -10.926 1.00 0.00 C ATOM 202 CD GLN A 15 -24.137 15.719 -12.140 1.00 0.00 C ATOM 203 OE1 GLN A 15 -24.638 14.625 -12.376 1.00 0.00 O ATOM 204 NE2 GLN A 15 -24.389 16.775 -12.891 1.00 0.00 N ATOM 0 H GLN A 15 -22.827 15.134 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.962 17.762 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.641 16.336 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -24.181 17.748 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.270 16.361 -11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.977 14.963 -10.486 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.958 17.673 -12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -25.015 16.693 -13.692 1.00 0.00 H new ATOM 213 N LEU A 16 -24.159 17.402 -6.865 1.00 0.00 N ATOM 214 CA LEU A 16 -24.835 17.899 -5.686 1.00 0.00 C ATOM 215 C LEU A 16 -23.917 18.264 -4.500 1.00 0.00 C ATOM 216 O LEU A 16 -24.207 19.187 -3.745 1.00 0.00 O ATOM 217 CB LEU A 16 -25.889 16.832 -5.419 1.00 0.00 C ATOM 218 CG LEU A 16 -27.005 16.776 -6.479 1.00 0.00 C ATOM 219 CD1 LEU A 16 -27.863 15.533 -6.252 1.00 0.00 C ATOM 220 CD2 LEU A 16 -27.860 18.039 -6.452 1.00 0.00 C ATOM 0 H LEU A 16 -24.335 16.407 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 16 -25.284 18.880 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.401 15.859 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -26.338 17.015 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.546 16.718 -7.466 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.653 15.494 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.241 14.642 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.309 15.575 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.638 17.968 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.320 18.146 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -27.233 18.907 -6.655 1.00 0.00 H new ATOM 232 N GLU A 17 -22.790 17.595 -4.329 1.00 0.00 N ATOM 233 CA GLU A 17 -21.758 17.818 -3.299 1.00 0.00 C ATOM 234 C GLU A 17 -20.933 19.054 -3.594 1.00 0.00 C ATOM 235 O GLU A 17 -20.689 19.873 -2.713 1.00 0.00 O ATOM 236 CB GLU A 17 -20.771 16.651 -3.341 1.00 0.00 C ATOM 237 CG GLU A 17 -21.368 15.446 -2.656 1.00 0.00 C ATOM 238 CD GLU A 17 -20.585 14.156 -2.901 1.00 0.00 C ATOM 239 OE1 GLU A 17 -19.376 14.117 -3.198 1.00 0.00 O ATOM 240 OE2 GLU A 17 -21.322 13.023 -2.830 1.00 0.00 O ATOM 0 H GLU A 17 -22.542 16.822 -4.946 1.00 0.00 H new ATOM 0 HA GLU A 17 -22.268 17.921 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.526 16.408 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.839 16.934 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.416 15.634 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -22.393 15.311 -3.003 1.00 0.00 H new ATOM 248 N ASN A 18 -20.489 19.124 -4.835 1.00 0.00 N ATOM 249 CA ASN A 18 -19.351 19.868 -5.349 1.00 0.00 C ATOM 250 C ASN A 18 -18.879 21.052 -4.488 1.00 0.00 C ATOM 251 O ASN A 18 -17.815 21.045 -3.874 1.00 0.00 O ATOM 252 CB ASN A 18 -19.866 20.333 -6.727 1.00 0.00 C ATOM 253 CG ASN A 18 -19.381 19.585 -7.943 1.00 0.00 C ATOM 254 OD1 ASN A 18 -20.081 19.252 -8.872 1.00 0.00 O ATOM 255 ND2 ASN A 18 -18.082 19.500 -8.007 1.00 0.00 N ATOM 0 H ASN A 18 -20.961 18.613 -5.581 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.454 19.249 -5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -20.955 20.282 -6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.598 21.382 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -17.635 19.147 -8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.512 19.787 -7.211 1.00 0.00 H new ATOM 262 N TYR A 19 -19.732 22.067 -4.443 1.00 0.00 N ATOM 263 CA TYR A 19 -19.534 23.398 -3.883 1.00 0.00 C ATOM 264 C TYR A 19 -19.369 23.461 -2.381 1.00 0.00 C ATOM 265 O TYR A 19 -18.494 24.132 -1.832 1.00 0.00 O ATOM 266 CB TYR A 19 -20.794 24.169 -4.253 1.00 0.00 C ATOM 267 CG TYR A 19 -20.800 24.288 -5.727 1.00 0.00 C ATOM 268 CD1 TYR A 19 -19.694 24.919 -6.343 1.00 0.00 C ATOM 269 CD2 TYR A 19 -21.570 23.358 -6.422 1.00 0.00 C ATOM 270 CE1 TYR A 19 -19.394 24.596 -7.671 1.00 0.00 C ATOM 271 CE2 TYR A 19 -21.277 23.047 -7.722 1.00 0.00 C ATOM 272 CZ TYR A 19 -20.190 23.672 -8.386 1.00 0.00 C ATOM 273 OH TYR A 19 -19.848 23.328 -9.663 1.00 0.00 O ATOM 0 H TYR A 19 -20.669 21.970 -4.835 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.602 23.797 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -21.684 23.647 -3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -20.797 25.153 -3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.094 25.634 -5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.404 22.879 -5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.546 25.057 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.878 22.320 -8.247 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.385 22.464 -9.656 1.00 0.00 H new ATOM 283 N CYS A 20 -20.296 22.768 -1.732 1.00 0.00 N ATOM 284 CA CYS A 20 -20.580 22.726 -0.300 1.00 0.00 C ATOM 285 C CYS A 20 -19.330 22.342 0.549 1.00 0.00 C ATOM 286 O CYS A 20 -18.610 21.386 0.248 1.00 0.00 O ATOM 287 CB CYS A 20 -21.714 21.687 -0.160 1.00 0.00 C ATOM 288 SG CYS A 20 -22.419 21.510 1.494 1.00 0.00 S ATOM 0 H CYS A 20 -20.933 22.159 -2.246 1.00 0.00 H new ATOM 0 HA CYS A 20 -20.868 23.706 0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.515 21.956 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.333 20.716 -0.478 1.00 0.00 H new ATOM 293 N ASN A 21 -19.086 23.132 1.614 1.00 0.00 N ATOM 294 CA ASN A 21 -17.934 23.102 2.506 1.00 0.00 C ATOM 295 C ASN A 21 -17.858 21.822 3.348 1.00 0.00 C ATOM 296 O ASN A 21 -18.559 21.711 4.366 1.00 0.00 O ATOM 297 CB ASN A 21 -18.036 24.407 3.312 1.00 0.00 C ATOM 298 CG ASN A 21 -16.896 24.648 4.292 1.00 0.00 C ATOM 299 OD1 ASN A 21 -16.070 25.541 4.141 1.00 0.00 O ATOM 300 ND2 ASN A 21 -16.747 23.816 5.294 1.00 0.00 N ATOM 301 OXT ASN A 21 -17.067 20.926 2.993 1.00 0.00 O ATOM 0 H ASN A 21 -19.747 23.860 1.884 1.00 0.00 H new ATOM 0 HA ASN A 21 -16.988 23.061 1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.080 25.244 2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.976 24.403 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.956 23.919 5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.422 23.066 5.438 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -29.713 5.989 -5.733 1.00 0.00 N ATOM 310 CA PHE B 1 -30.299 7.188 -5.088 1.00 0.00 C ATOM 311 C PHE B 1 -31.561 7.670 -5.833 1.00 0.00 C ATOM 312 O PHE B 1 -32.179 6.908 -6.581 1.00 0.00 O ATOM 313 CB PHE B 1 -29.238 8.287 -4.851 1.00 0.00 C ATOM 314 CG PHE B 1 -29.224 8.806 -3.432 1.00 0.00 C ATOM 315 CD1 PHE B 1 -27.983 9.075 -2.829 1.00 0.00 C ATOM 316 CD2 PHE B 1 -30.399 8.894 -2.694 1.00 0.00 C ATOM 317 CE1 PHE B 1 -27.935 9.429 -1.480 1.00 0.00 C ATOM 318 CE2 PHE B 1 -30.331 9.205 -1.337 1.00 0.00 C ATOM 319 CZ PHE B 1 -29.099 9.457 -0.714 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.435 5.303 -5.003 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.416 5.556 -6.365 1.00 0.00 H new ATOM 0 H3 PHE B 1 -28.876 6.266 -6.284 1.00 0.00 H new ATOM 0 HA PHE B 1 -30.642 6.909 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.253 7.890 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -29.426 9.117 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -27.073 9.008 -3.406 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -31.355 8.723 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -26.989 9.683 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -31.240 9.253 -0.756 1.00 0.00 H new ATOM 0 HZ PHE B 1 -29.054 9.670 0.344 1.00 0.00 H new ATOM 331 N VAL B 2 -31.982 8.923 -5.600 1.00 0.00 N ATOM 332 CA VAL B 2 -33.325 9.487 -5.815 1.00 0.00 C ATOM 333 C VAL B 2 -33.261 10.763 -6.650 1.00 0.00 C ATOM 334 O VAL B 2 -34.082 10.962 -7.537 1.00 0.00 O ATOM 335 CB VAL B 2 -33.884 9.768 -4.409 1.00 0.00 C ATOM 336 CG1 VAL B 2 -35.064 10.741 -4.362 1.00 0.00 C ATOM 337 CG2 VAL B 2 -34.335 8.458 -3.727 1.00 0.00 C ATOM 0 H VAL B 2 -31.342 9.624 -5.227 1.00 0.00 H new ATOM 0 HA VAL B 2 -33.964 8.800 -6.369 1.00 0.00 H new ATOM 0 HB VAL B 2 -33.052 10.238 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -35.385 10.873 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -34.759 11.703 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -35.890 10.340 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -34.727 8.681 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -35.113 7.985 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -33.484 7.782 -3.638 1.00 0.00 H new ATOM 347 N ASN B 3 -32.308 11.633 -6.331 1.00 0.00 N ATOM 348 CA ASN B 3 -32.234 12.989 -6.865 1.00 0.00 C ATOM 349 C ASN B 3 -32.221 13.116 -8.407 1.00 0.00 C ATOM 350 O ASN B 3 -31.678 12.270 -9.125 1.00 0.00 O ATOM 351 CB ASN B 3 -31.065 13.751 -6.220 1.00 0.00 C ATOM 352 CG ASN B 3 -30.799 13.479 -4.753 1.00 0.00 C ATOM 353 OD1 ASN B 3 -29.687 13.301 -4.286 1.00 0.00 O ATOM 354 ND2 ASN B 3 -31.883 13.336 -4.028 1.00 0.00 N ATOM 0 H ASN B 3 -31.552 11.412 -5.683 1.00 0.00 H new ATOM 0 HA ASN B 3 -33.181 13.452 -6.587 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -30.158 13.518 -6.779 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -31.248 14.819 -6.340 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -31.808 13.069 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -32.800 13.492 -4.446 1.00 0.00 H new ATOM 361 N GLN B 4 -32.870 14.166 -8.920 1.00 0.00 N ATOM 362 CA GLN B 4 -33.844 13.985 -9.972 1.00 0.00 C ATOM 363 C GLN B 4 -33.824 15.129 -11.022 1.00 0.00 C ATOM 364 O GLN B 4 -32.804 15.693 -11.402 1.00 0.00 O ATOM 365 CB GLN B 4 -35.190 13.854 -9.230 1.00 0.00 C ATOM 366 CG GLN B 4 -36.231 12.931 -9.905 1.00 0.00 C ATOM 367 CD GLN B 4 -37.279 12.505 -8.886 1.00 0.00 C ATOM 368 OE1 GLN B 4 -38.410 12.978 -8.893 1.00 0.00 O ATOM 369 NE2 GLN B 4 -36.968 11.626 -7.958 1.00 0.00 N ATOM 0 H GLN B 4 -32.734 15.132 -8.622 1.00 0.00 H new ATOM 0 HA GLN B 4 -33.633 13.103 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -34.997 13.481 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -35.625 14.848 -9.123 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -36.708 13.452 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -35.737 12.053 -10.321 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -36.033 11.220 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -37.662 11.351 -7.263 1.00 0.00 H new ATOM 378 N HIS B 5 -35.020 15.383 -11.504 1.00 0.00 N ATOM 379 CA HIS B 5 -35.366 16.024 -12.771 1.00 0.00 C ATOM 380 C HIS B 5 -35.456 17.532 -12.694 1.00 0.00 C ATOM 381 O HIS B 5 -35.042 18.278 -13.578 1.00 0.00 O ATOM 382 CB HIS B 5 -36.726 15.445 -13.142 1.00 0.00 C ATOM 383 CG HIS B 5 -36.637 14.016 -13.561 1.00 0.00 C ATOM 384 ND1 HIS B 5 -35.487 13.268 -13.430 1.00 0.00 N ATOM 385 CD2 HIS B 5 -37.622 13.266 -14.138 1.00 0.00 C ATOM 386 CE1 HIS B 5 -35.815 12.079 -13.893 1.00 0.00 C ATOM 387 NE2 HIS B 5 -37.079 12.021 -14.344 1.00 0.00 N ATOM 0 H HIS B 5 -35.856 15.127 -10.979 1.00 0.00 H new ATOM 0 HA HIS B 5 -34.586 15.829 -13.507 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -37.400 15.530 -12.289 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -37.160 16.032 -13.951 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -38.624 13.587 -14.383 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -35.138 11.238 -13.908 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -37.544 11.213 -14.758 1.00 0.00 H new ATOM 395 N LEU B 6 -36.029 17.956 -11.578 1.00 0.00 N ATOM 396 CA LEU B 6 -36.466 19.334 -11.334 1.00 0.00 C ATOM 397 C LEU B 6 -35.287 20.304 -11.143 1.00 0.00 C ATOM 398 O LEU B 6 -34.142 19.931 -10.869 1.00 0.00 O ATOM 399 CB LEU B 6 -37.494 19.375 -10.193 1.00 0.00 C ATOM 400 CG LEU B 6 -38.741 20.284 -10.299 1.00 0.00 C ATOM 401 CD1 LEU B 6 -38.557 21.633 -9.574 1.00 0.00 C ATOM 402 CD2 LEU B 6 -39.177 20.612 -11.730 1.00 0.00 C ATOM 0 H LEU B 6 -36.211 17.336 -10.789 1.00 0.00 H new ATOM 0 HA LEU B 6 -36.971 19.696 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -37.849 18.356 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -36.960 19.664 -9.288 1.00 0.00 H new ATOM 0 HG LEU B 6 -39.513 19.680 -9.822 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.463 22.230 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -38.363 21.454 -8.516 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.715 22.169 -10.011 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -40.058 21.253 -11.704 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -38.368 21.127 -12.248 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -39.416 19.689 -12.258 1.00 0.00 H new ATOM 414 N CYS B 7 -35.614 21.580 -11.310 1.00 0.00 N ATOM 415 CA CYS B 7 -34.717 22.736 -11.391 1.00 0.00 C ATOM 416 C CYS B 7 -34.746 23.611 -10.127 1.00 0.00 C ATOM 417 O CYS B 7 -35.341 23.236 -9.119 1.00 0.00 O ATOM 418 CB CYS B 7 -35.243 23.514 -12.614 1.00 0.00 C ATOM 419 SG CYS B 7 -35.151 22.620 -14.194 1.00 0.00 S ATOM 0 H CYS B 7 -36.591 21.860 -11.400 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.675 22.431 -11.481 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -36.281 23.790 -12.430 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -34.678 24.442 -12.706 1.00 0.00 H new ATOM 424 N GLY B 8 -34.143 24.810 -10.168 1.00 0.00 N ATOM 425 CA GLY B 8 -34.349 25.829 -9.129 1.00 0.00 C ATOM 426 C GLY B 8 -33.550 25.551 -7.864 1.00 0.00 C ATOM 427 O GLY B 8 -32.317 25.552 -7.853 1.00 0.00 O ATOM 0 H GLY B 8 -33.507 25.097 -10.912 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -34.068 26.806 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -35.409 25.879 -8.880 1.00 0.00 H new ATOM 431 N SER B 9 -34.275 25.371 -6.772 1.00 0.00 N ATOM 432 CA SER B 9 -33.802 25.216 -5.388 1.00 0.00 C ATOM 433 C SER B 9 -34.282 23.891 -4.785 1.00 0.00 C ATOM 434 O SER B 9 -34.338 23.691 -3.567 1.00 0.00 O ATOM 435 CB SER B 9 -34.294 26.420 -4.579 1.00 0.00 C ATOM 436 OG SER B 9 -33.638 27.618 -4.985 1.00 0.00 O ATOM 0 H SER B 9 -35.293 25.324 -6.825 1.00 0.00 H new ATOM 0 HA SER B 9 -32.713 25.185 -5.366 1.00 0.00 H new ATOM 0 HB2 SER B 9 -35.371 26.531 -4.706 1.00 0.00 H new ATOM 0 HB3 SER B 9 -34.115 26.246 -3.518 1.00 0.00 H new ATOM 0 HG SER B 9 -33.972 28.370 -4.453 1.00 0.00 H new ATOM 442 N HIS B 10 -34.549 22.950 -5.657 1.00 0.00 N ATOM 443 CA HIS B 10 -34.834 21.566 -5.394 1.00 0.00 C ATOM 444 C HIS B 10 -33.653 20.667 -5.438 1.00 0.00 C ATOM 445 O HIS B 10 -33.509 19.741 -4.646 1.00 0.00 O ATOM 446 CB HIS B 10 -35.841 21.138 -6.449 1.00 0.00 C ATOM 447 CG HIS B 10 -36.731 20.029 -5.977 1.00 0.00 C ATOM 448 ND1 HIS B 10 -36.872 18.737 -6.510 1.00 0.00 N ATOM 449 CD2 HIS B 10 -37.343 20.085 -4.763 1.00 0.00 C ATOM 450 CE1 HIS B 10 -37.628 18.072 -5.606 1.00 0.00 C ATOM 451 NE2 HIS B 10 -37.944 18.857 -4.567 1.00 0.00 N ATOM 0 H HIS B 10 -34.574 23.154 -6.656 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.207 21.481 -4.373 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -36.453 21.995 -6.732 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.309 20.817 -7.345 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -37.356 20.926 -4.085 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -37.937 17.042 -5.709 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -38.526 18.594 -3.772 1.00 0.00 H new ATOM 459 N LEU B 11 -32.732 21.070 -6.285 1.00 0.00 N ATOM 460 CA LEU B 11 -31.328 20.644 -6.236 1.00 0.00 C ATOM 461 C LEU B 11 -30.370 21.380 -5.320 1.00 0.00 C ATOM 462 O LEU B 11 -29.166 21.152 -5.300 1.00 0.00 O ATOM 463 CB LEU B 11 -30.826 20.402 -7.659 1.00 0.00 C ATOM 464 CG LEU B 11 -30.653 21.654 -8.583 1.00 0.00 C ATOM 465 CD1 LEU B 11 -31.846 21.842 -9.491 1.00 0.00 C ATOM 466 CD2 LEU B 11 -30.450 22.990 -7.872 1.00 0.00 C ATOM 0 H LEU B 11 -32.930 21.717 -7.048 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.334 19.703 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -29.863 19.895 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -31.517 19.715 -8.148 1.00 0.00 H new ATOM 0 HG LEU B 11 -29.738 21.416 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.691 22.720 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -31.965 20.962 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.744 21.980 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -30.342 23.783 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -31.312 23.200 -7.238 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -29.551 22.942 -7.258 1.00 0.00 H new ATOM 478 N VAL B 12 -30.988 22.172 -4.455 1.00 0.00 N ATOM 479 CA VAL B 12 -30.482 22.740 -3.223 1.00 0.00 C ATOM 480 C VAL B 12 -31.045 21.992 -2.047 1.00 0.00 C ATOM 481 O VAL B 12 -30.335 21.642 -1.116 1.00 0.00 O ATOM 482 CB VAL B 12 -30.919 24.189 -3.199 1.00 0.00 C ATOM 483 CG1 VAL B 12 -30.814 24.898 -1.874 1.00 0.00 C ATOM 484 CG2 VAL B 12 -30.250 24.959 -4.333 1.00 0.00 C ATOM 0 H VAL B 12 -31.953 22.459 -4.620 1.00 0.00 H new ATOM 0 HA VAL B 12 -29.396 22.668 -3.167 1.00 0.00 H new ATOM 0 HB VAL B 12 -31.997 24.164 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.155 25.927 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -31.434 24.387 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -29.776 24.894 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -30.572 26.000 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -29.167 24.911 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -30.532 24.517 -5.289 1.00 0.00 H new ATOM 494 N GLU B 13 -32.296 21.611 -2.138 1.00 0.00 N ATOM 495 CA GLU B 13 -32.886 20.685 -1.198 1.00 0.00 C ATOM 496 C GLU B 13 -32.311 19.304 -1.302 1.00 0.00 C ATOM 497 O GLU B 13 -32.139 18.576 -0.337 1.00 0.00 O ATOM 498 CB GLU B 13 -34.393 20.739 -1.416 1.00 0.00 C ATOM 499 CG GLU B 13 -35.235 19.759 -0.591 1.00 0.00 C ATOM 500 CD GLU B 13 -35.146 19.940 0.920 1.00 0.00 C ATOM 501 OE1 GLU B 13 -34.485 20.797 1.505 1.00 0.00 O ATOM 502 OE2 GLU B 13 -35.915 19.064 1.615 1.00 0.00 O ATOM 0 H GLU B 13 -32.935 21.933 -2.865 1.00 0.00 H new ATOM 0 HA GLU B 13 -32.652 20.976 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.734 21.751 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -34.593 20.556 -2.472 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.278 19.858 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -34.927 18.743 -0.838 1.00 0.00 H new ATOM 510 N ALA B 14 -31.901 18.987 -2.508 1.00 0.00 N ATOM 511 CA ALA B 14 -31.069 17.816 -2.734 1.00 0.00 C ATOM 512 C ALA B 14 -29.661 18.039 -2.187 1.00 0.00 C ATOM 513 O ALA B 14 -29.095 17.135 -1.565 1.00 0.00 O ATOM 514 CB ALA B 14 -30.977 17.569 -4.234 1.00 0.00 C ATOM 0 H ALA B 14 -32.126 19.518 -3.349 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.513 16.961 -2.224 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.356 16.693 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.975 17.398 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.534 18.439 -4.719 1.00 0.00 H new ATOM 520 N LEU B 15 -29.114 19.232 -2.360 1.00 0.00 N ATOM 521 CA LEU B 15 -27.782 19.526 -1.853 1.00 0.00 C ATOM 522 C LEU B 15 -27.726 19.458 -0.314 1.00 0.00 C ATOM 523 O LEU B 15 -26.850 18.783 0.241 1.00 0.00 O ATOM 524 CB LEU B 15 -27.162 20.735 -2.599 1.00 0.00 C ATOM 525 CG LEU B 15 -26.479 21.894 -1.884 1.00 0.00 C ATOM 526 CD1 LEU B 15 -27.366 22.651 -0.887 1.00 0.00 C ATOM 527 CD2 LEU B 15 -25.243 21.429 -1.157 1.00 0.00 C ATOM 0 H LEU B 15 -29.567 20.007 -2.844 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.073 18.736 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -26.429 20.326 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.961 21.170 -3.199 1.00 0.00 H new ATOM 0 HG LEU B 15 -26.229 22.590 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.793 23.457 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.226 23.069 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -27.710 21.965 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.775 22.276 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.517 20.676 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -24.541 20.998 -1.871 1.00 0.00 H new ATOM 539 N TYR B 16 -28.750 19.967 0.365 1.00 0.00 N ATOM 540 CA TYR B 16 -28.952 19.830 1.796 1.00 0.00 C ATOM 541 C TYR B 16 -29.030 18.388 2.318 1.00 0.00 C ATOM 542 O TYR B 16 -28.571 18.100 3.423 1.00 0.00 O ATOM 543 CB TYR B 16 -30.196 20.617 2.168 1.00 0.00 C ATOM 544 CG TYR B 16 -29.904 22.065 2.308 1.00 0.00 C ATOM 545 CD1 TYR B 16 -30.613 22.978 1.527 1.00 0.00 C ATOM 546 CD2 TYR B 16 -28.841 22.477 3.103 1.00 0.00 C ATOM 547 CE1 TYR B 16 -30.162 24.296 1.433 1.00 0.00 C ATOM 548 CE2 TYR B 16 -28.346 23.788 2.978 1.00 0.00 C ATOM 549 CZ TYR B 16 -29.003 24.697 2.118 1.00 0.00 C ATOM 550 OH TYR B 16 -28.504 25.951 1.999 1.00 0.00 O ATOM 0 H TYR B 16 -29.488 20.506 -0.088 1.00 0.00 H new ATOM 0 HA TYR B 16 -28.062 20.227 2.284 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -30.961 20.471 1.405 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -30.603 20.235 3.104 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -31.503 22.668 1.000 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -28.397 21.795 3.813 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.706 25.009 0.832 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -27.473 24.097 3.534 1.00 0.00 H new ATOM 0 HH TYR B 16 -27.699 26.036 2.551 1.00 0.00 H new ATOM 560 N LEU B 17 -29.565 17.488 1.501 1.00 0.00 N ATOM 561 CA LEU B 17 -29.799 16.080 1.793 1.00 0.00 C ATOM 562 C LEU B 17 -28.587 15.187 1.519 1.00 0.00 C ATOM 563 O LEU B 17 -28.487 14.056 2.018 1.00 0.00 O ATOM 564 CB LEU B 17 -31.029 15.682 0.971 1.00 0.00 C ATOM 565 CG LEU B 17 -32.350 16.159 1.604 1.00 0.00 C ATOM 566 CD1 LEU B 17 -33.537 15.849 0.703 1.00 0.00 C ATOM 567 CD2 LEU B 17 -32.660 15.511 2.953 1.00 0.00 C ATOM 0 H LEU B 17 -29.865 17.738 0.559 1.00 0.00 H new ATOM 0 HA LEU B 17 -29.973 15.937 2.859 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -30.941 16.099 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.053 14.598 0.864 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.207 17.231 1.741 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.454 16.198 1.177 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.409 16.354 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.599 14.773 0.540 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -33.605 15.898 3.334 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -32.734 14.431 2.829 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -31.863 15.742 3.659 1.00 0.00 H new ATOM 579 N VAL B 18 -27.665 15.714 0.730 1.00 0.00 N ATOM 580 CA VAL B 18 -26.417 15.097 0.263 1.00 0.00 C ATOM 581 C VAL B 18 -25.259 15.420 1.185 1.00 0.00 C ATOM 582 O VAL B 18 -24.620 14.535 1.761 1.00 0.00 O ATOM 583 CB VAL B 18 -26.173 15.598 -1.177 1.00 0.00 C ATOM 584 CG1 VAL B 18 -24.738 15.543 -1.662 1.00 0.00 C ATOM 585 CG2 VAL B 18 -27.082 14.789 -2.108 1.00 0.00 C ATOM 0 H VAL B 18 -27.771 16.661 0.366 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.499 14.010 0.270 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.407 16.663 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.685 15.918 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.112 16.159 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.384 14.512 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.935 15.118 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -26.836 13.730 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -28.123 14.942 -1.824 1.00 0.00 H new ATOM 595 N CYS B 19 -24.969 16.704 1.237 1.00 0.00 N ATOM 596 CA CYS B 19 -23.834 17.239 1.973 1.00 0.00 C ATOM 597 C CYS B 19 -24.070 17.186 3.499 1.00 0.00 C ATOM 598 O CYS B 19 -23.157 16.963 4.304 1.00 0.00 O ATOM 599 CB CYS B 19 -23.710 18.672 1.445 1.00 0.00 C ATOM 600 SG CYS B 19 -22.218 19.527 1.986 1.00 0.00 S ATOM 0 H CYS B 19 -25.521 17.419 0.763 1.00 0.00 H new ATOM 0 HA CYS B 19 -22.918 16.666 1.826 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -23.729 18.650 0.355 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.581 19.243 1.767 1.00 0.00 H new ATOM 605 N GLY B 20 -25.338 17.366 3.890 1.00 0.00 N ATOM 606 CA GLY B 20 -25.858 17.051 5.234 1.00 0.00 C ATOM 607 C GLY B 20 -25.533 18.044 6.382 1.00 0.00 C ATOM 608 O GLY B 20 -26.164 19.096 6.533 1.00 0.00 O ATOM 0 H GLY B 20 -26.052 17.744 3.267 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -26.942 16.963 5.163 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -25.477 16.071 5.520 1.00 0.00 H new ATOM 612 N GLU B 21 -24.601 17.625 7.248 1.00 0.00 N ATOM 613 CA GLU B 21 -24.221 18.111 8.578 1.00 0.00 C ATOM 614 C GLU B 21 -24.013 19.622 8.718 1.00 0.00 C ATOM 615 O GLU B 21 -24.616 20.316 9.542 1.00 0.00 O ATOM 616 CB GLU B 21 -22.885 17.402 8.885 1.00 0.00 C ATOM 617 CG GLU B 21 -23.092 15.969 9.345 1.00 0.00 C ATOM 618 CD GLU B 21 -21.778 15.227 9.693 1.00 0.00 C ATOM 619 OE1 GLU B 21 -20.644 15.697 9.612 1.00 0.00 O ATOM 620 OE2 GLU B 21 -21.977 13.934 10.085 1.00 0.00 O ATOM 0 H GLU B 21 -24.018 16.828 6.994 1.00 0.00 H new ATOM 0 HA GLU B 21 -25.043 17.894 9.261 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -22.258 17.409 7.994 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -22.350 17.956 9.656 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -23.741 15.969 10.221 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -23.613 15.418 8.562 1.00 0.00 H new ATOM 628 N ARG B 22 -23.088 20.070 7.878 1.00 0.00 N ATOM 629 CA ARG B 22 -22.441 21.372 7.699 1.00 0.00 C ATOM 630 C ARG B 22 -23.377 22.572 7.498 1.00 0.00 C ATOM 631 O ARG B 22 -24.596 22.461 7.523 1.00 0.00 O ATOM 632 CB ARG B 22 -21.512 21.134 6.496 1.00 0.00 C ATOM 633 CG ARG B 22 -20.406 20.117 6.861 1.00 0.00 C ATOM 634 CD ARG B 22 -20.407 18.883 5.946 1.00 0.00 C ATOM 635 NE ARG B 22 -19.747 19.155 4.664 1.00 0.00 N ATOM 636 CZ ARG B 22 -19.516 18.319 3.673 1.00 0.00 C ATOM 637 NH1 ARG B 22 -20.086 17.141 3.651 1.00 0.00 N ATOM 638 NH2 ARG B 22 -18.714 18.644 2.700 1.00 0.00 N ATOM 0 H ARG B 22 -22.711 19.418 7.191 1.00 0.00 H new ATOM 0 HA ARG B 22 -21.925 21.674 8.610 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.090 20.764 5.650 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.060 22.076 6.185 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -19.434 20.607 6.802 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -20.539 19.797 7.895 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -19.901 18.058 6.448 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.434 18.565 5.766 1.00 0.00 H new ATOM 0 HE ARG B 22 -19.427 20.113 4.522 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -20.715 16.864 4.405 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -19.902 16.500 2.880 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.256 19.555 2.699 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -18.544 17.987 1.938 1.00 0.00 H new ATOM 652 N GLY B 23 -22.764 23.743 7.287 1.00 0.00 N ATOM 653 CA GLY B 23 -23.421 24.989 6.919 1.00 0.00 C ATOM 654 C GLY B 23 -22.817 25.649 5.681 1.00 0.00 C ATOM 655 O GLY B 23 -21.619 25.930 5.583 1.00 0.00 O ATOM 0 H GLY B 23 -21.753 23.845 7.374 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -24.478 24.795 6.739 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -23.363 25.683 7.757 1.00 0.00 H new ATOM 659 N PHE B 24 -23.680 25.751 4.694 1.00 0.00 N ATOM 660 CA PHE B 24 -23.344 25.463 3.296 1.00 0.00 C ATOM 661 C PHE B 24 -22.863 26.637 2.461 1.00 0.00 C ATOM 662 O PHE B 24 -23.164 27.804 2.727 1.00 0.00 O ATOM 663 CB PHE B 24 -24.614 24.883 2.664 1.00 0.00 C ATOM 664 CG PHE B 24 -24.795 23.441 2.993 1.00 0.00 C ATOM 665 CD1 PHE B 24 -24.348 22.871 4.179 1.00 0.00 C ATOM 666 CD2 PHE B 24 -25.472 22.665 2.048 1.00 0.00 C ATOM 667 CE1 PHE B 24 -24.685 21.558 4.490 1.00 0.00 C ATOM 668 CE2 PHE B 24 -25.812 21.351 2.356 1.00 0.00 C ATOM 669 CZ PHE B 24 -25.475 20.799 3.604 1.00 0.00 C ATOM 0 H PHE B 24 -24.649 26.039 4.830 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.492 24.784 3.306 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.481 25.445 3.011 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.568 25.005 1.582 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -23.739 23.448 4.859 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.729 23.082 1.086 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -24.340 21.119 5.414 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -26.339 20.750 1.630 1.00 0.00 H new ATOM 0 HZ PHE B 24 -25.815 19.811 3.879 1.00 0.00 H new ATOM 679 N PHE B 25 -22.122 26.330 1.392 1.00 0.00 N ATOM 680 CA PHE B 25 -21.620 27.254 0.417 1.00 0.00 C ATOM 681 C PHE B 25 -22.600 27.506 -0.749 1.00 0.00 C ATOM 682 O PHE B 25 -23.706 26.981 -0.868 1.00 0.00 O ATOM 683 CB PHE B 25 -20.329 26.621 -0.098 1.00 0.00 C ATOM 684 CG PHE B 25 -19.300 27.671 -0.311 1.00 0.00 C ATOM 685 CD1 PHE B 25 -18.831 28.381 0.793 1.00 0.00 C ATOM 686 CD2 PHE B 25 -18.931 28.020 -1.610 1.00 0.00 C ATOM 687 CE1 PHE B 25 -17.973 29.467 0.596 1.00 0.00 C ATOM 688 CE2 PHE B 25 -18.050 29.099 -1.798 1.00 0.00 C ATOM 689 CZ PHE B 25 -17.562 29.831 -0.694 1.00 0.00 C ATOM 0 H PHE B 25 -21.850 25.368 1.188 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.467 28.234 0.869 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.965 25.883 0.617 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -20.520 26.093 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.128 28.095 1.791 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -19.316 27.471 -2.457 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.623 30.032 1.447 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.743 29.371 -2.797 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.883 30.658 -0.841 1.00 0.00 H new ATOM 699 N TYR B 26 -22.045 28.341 -1.593 1.00 0.00 N ATOM 700 CA TYR B 26 -22.223 28.475 -3.042 1.00 0.00 C ATOM 701 C TYR B 26 -21.254 29.523 -3.623 1.00 0.00 C ATOM 702 O TYR B 26 -20.778 30.421 -2.934 1.00 0.00 O ATOM 703 CB TYR B 26 -23.636 28.882 -3.404 1.00 0.00 C ATOM 704 CG TYR B 26 -24.484 27.728 -3.837 1.00 0.00 C ATOM 705 CD1 TYR B 26 -23.957 26.907 -4.848 1.00 0.00 C ATOM 706 CD2 TYR B 26 -25.743 27.483 -3.260 1.00 0.00 C ATOM 707 CE1 TYR B 26 -24.637 25.759 -5.221 1.00 0.00 C ATOM 708 CE2 TYR B 26 -26.461 26.351 -3.678 1.00 0.00 C ATOM 709 CZ TYR B 26 -25.916 25.499 -4.661 1.00 0.00 C ATOM 710 OH TYR B 26 -26.642 24.444 -5.082 1.00 0.00 O ATOM 0 H TYR B 26 -21.375 29.031 -1.252 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.014 27.494 -3.468 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.101 29.365 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.602 29.621 -4.205 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -23.028 27.169 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -26.148 28.150 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -24.200 25.070 -5.929 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -27.428 26.133 -3.248 1.00 0.00 H new ATOM 0 HH TYR B 26 -26.950 23.929 -4.307 1.00 0.00 H new ATOM 720 N THR B 27 -21.034 29.421 -4.935 1.00 0.00 N ATOM 721 CA THR B 27 -20.016 30.125 -5.712 1.00 0.00 C ATOM 722 C THR B 27 -20.542 31.140 -6.735 1.00 0.00 C ATOM 723 O THR B 27 -21.684 30.965 -7.198 1.00 0.00 O ATOM 724 CB THR B 27 -19.197 29.056 -6.459 1.00 0.00 C ATOM 725 OG1 THR B 27 -20.030 28.129 -7.121 1.00 0.00 O ATOM 726 CG2 THR B 27 -18.405 28.255 -5.429 1.00 0.00 C ATOM 0 H THR B 27 -21.599 28.805 -5.519 1.00 0.00 H new ATOM 0 HA THR B 27 -19.435 30.714 -5.002 1.00 0.00 H new ATOM 0 HB THR B 27 -18.564 29.568 -7.184 1.00 0.00 H new ATOM 0 HG1 THR B 27 -19.830 27.224 -6.803 1.00 0.00 H new ATOM 0 HG21 THR B 27 -17.817 27.491 -5.937 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.739 28.923 -4.883 1.00 0.00 H new ATOM 0 HG23 THR B 27 -19.093 27.779 -4.731 1.00 0.00 H new ATOM 734 N PRO B 28 -19.760 32.135 -7.185 1.00 0.00 N ATOM 735 CA PRO B 28 -20.136 33.015 -8.287 1.00 0.00 C ATOM 736 C PRO B 28 -20.115 32.274 -9.636 1.00 0.00 C ATOM 737 O PRO B 28 -19.189 31.500 -9.954 1.00 0.00 O ATOM 738 CB PRO B 28 -19.150 34.198 -8.267 1.00 0.00 C ATOM 739 CG PRO B 28 -17.907 33.572 -7.636 1.00 0.00 C ATOM 740 CD PRO B 28 -18.461 32.534 -6.655 1.00 0.00 C ATOM 0 HA PRO B 28 -21.159 33.370 -8.165 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -18.950 34.578 -9.269 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -19.529 35.034 -7.678 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -17.270 33.107 -8.389 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.302 34.320 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -17.792 31.677 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -18.560 32.956 -5.655 1.00 0.00 H new ATOM 748 N LYS B 29 -21.139 32.559 -10.457 1.00 0.00 N ATOM 749 CA LYS B 29 -21.305 32.037 -11.816 1.00 0.00 C ATOM 750 C LYS B 29 -20.438 32.815 -12.841 1.00 0.00 C ATOM 751 O LYS B 29 -20.137 33.991 -12.638 1.00 0.00 O ATOM 752 CB LYS B 29 -22.803 32.051 -12.221 1.00 0.00 C ATOM 753 CG LYS B 29 -23.689 31.024 -11.464 1.00 0.00 C ATOM 754 CD LYS B 29 -23.447 29.575 -11.851 1.00 0.00 C ATOM 755 CE LYS B 29 -23.998 29.264 -13.264 1.00 0.00 C ATOM 756 NZ LYS B 29 -23.645 27.879 -13.694 1.00 0.00 N ATOM 0 H LYS B 29 -21.898 33.181 -10.180 1.00 0.00 H new ATOM 0 HA LYS B 29 -20.956 31.005 -11.823 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -23.202 33.051 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -22.878 31.856 -13.291 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -23.516 31.134 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -24.737 31.265 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -22.378 29.363 -11.822 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -23.922 28.919 -11.122 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -25.082 29.383 -13.268 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -23.596 29.982 -13.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -24.295 27.572 -14.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -22.669 27.865 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -23.724 27.233 -12.883 1.00 0.00 H new ATOM 770 N ALA B 30 -20.055 32.156 -13.943 1.00 0.00 N ATOM 771 CA ALA B 30 -19.328 32.734 -15.070 1.00 0.00 C ATOM 772 C ALA B 30 -19.873 32.267 -16.433 1.00 0.00 C ATOM 773 O ALA B 30 -20.283 31.096 -16.548 1.00 0.00 O ATOM 774 CB ALA B 30 -17.849 32.347 -14.908 1.00 0.00 C ATOM 775 OXT ALA B 30 -19.862 33.063 -17.393 1.00 0.00 O ATOM 0 H ALA B 30 -20.254 31.164 -14.074 1.00 0.00 H new ATOM 0 HA ALA B 30 -19.454 33.817 -15.061 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -17.272 32.762 -15.734 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -17.470 32.743 -13.966 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -17.755 31.261 -14.909 1.00 0.00 H new TER 781 ALA B 30