USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=13 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 120:sc= 0.708 USER MOD Set 1.2: B 29 LYS NZ :NH3+ 151:sc= 0.785 (180deg=-0.0139) USER MOD Set 2.1: A 1 GLY N :NH3+ 159:sc= 0.636 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.224 K(o=0.86,f=-2.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0.126 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00978 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.636 K(o=0.64,f=-0.41) USER MOD Single : A 18 ASN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.379 USER MOD Single : A 21 ASN : amide:sc= -0.271! X(o=-0.27!,f=-0.035) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.677 F(o=-3.6,f=-0.68) USER MOD Single : B 4 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.014) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -0.902 F(o=-2.1!,f=-0.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -0.0857 F(o=-0.63,f=-0.086) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 151:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.174 21.321 -11.582 1.00 0.00 N ATOM 2 CA GLY A 1 -21.127 21.829 -10.586 1.00 0.00 C ATOM 3 C GLY A 1 -22.576 21.800 -11.096 1.00 0.00 C ATOM 4 O GLY A 1 -23.026 20.781 -11.611 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.221 21.674 -11.362 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.171 20.281 -11.561 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.454 21.647 -12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.052 21.232 -9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.859 22.851 -10.318 1.00 0.00 H new ATOM 10 N ILE A 2 -23.355 22.881 -10.876 1.00 0.00 N ATOM 11 CA ILE A 2 -24.519 22.730 -10.042 1.00 0.00 C ATOM 12 C ILE A 2 -25.847 23.276 -10.446 1.00 0.00 C ATOM 13 O ILE A 2 -26.882 22.686 -10.139 1.00 0.00 O ATOM 14 CB ILE A 2 -24.079 23.320 -8.677 1.00 0.00 C ATOM 15 CG1 ILE A 2 -24.456 22.349 -7.565 1.00 0.00 C ATOM 16 CG2 ILE A 2 -24.343 24.774 -8.463 1.00 0.00 C ATOM 17 CD1 ILE A 2 -23.649 21.095 -7.914 1.00 0.00 C ATOM 0 H ILE A 2 -23.194 23.815 -11.253 1.00 0.00 H new ATOM 0 HA ILE A 2 -24.770 21.670 -10.080 1.00 0.00 H new ATOM 0 HB ILE A 2 -22.991 23.388 -8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -24.191 22.739 -6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -25.527 22.148 -7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -23.991 25.066 -7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.817 25.355 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -25.414 24.964 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -23.843 20.319 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -23.943 20.736 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -22.586 21.336 -7.917 1.00 0.00 H new ATOM 29 N VAL A 3 -25.810 24.430 -11.086 1.00 0.00 N ATOM 30 CA VAL A 3 -26.961 25.332 -10.980 1.00 0.00 C ATOM 31 C VAL A 3 -28.134 24.820 -11.807 1.00 0.00 C ATOM 32 O VAL A 3 -29.329 24.881 -11.504 1.00 0.00 O ATOM 33 CB VAL A 3 -26.546 26.782 -11.269 1.00 0.00 C ATOM 34 CG1 VAL A 3 -27.733 27.739 -11.476 1.00 0.00 C ATOM 35 CG2 VAL A 3 -25.589 27.390 -10.257 1.00 0.00 C ATOM 0 H VAL A 3 -25.037 24.763 -11.662 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.326 25.341 -9.953 1.00 0.00 H new ATOM 0 HB VAL A 3 -26.007 26.680 -12.211 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.360 28.744 -11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.331 27.400 -12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.350 27.753 -10.578 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.355 28.414 -10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -26.053 27.389 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -24.671 26.803 -10.226 1.00 0.00 H new ATOM 45 N GLU A 4 -27.622 24.315 -12.901 1.00 0.00 N ATOM 46 CA GLU A 4 -28.162 24.446 -14.212 1.00 0.00 C ATOM 47 C GLU A 4 -28.017 23.248 -15.143 1.00 0.00 C ATOM 48 O GLU A 4 -28.916 22.639 -15.701 1.00 0.00 O ATOM 49 CB GLU A 4 -27.407 25.675 -14.727 1.00 0.00 C ATOM 50 CG GLU A 4 -25.846 25.763 -14.677 1.00 0.00 C ATOM 51 CD GLU A 4 -25.375 27.184 -15.001 1.00 0.00 C ATOM 52 OE1 GLU A 4 -24.874 27.944 -14.193 1.00 0.00 O ATOM 53 OE2 GLU A 4 -25.593 27.578 -16.279 1.00 0.00 O ATOM 0 H GLU A 4 -26.761 23.768 -12.888 1.00 0.00 H new ATOM 0 HA GLU A 4 -29.248 24.531 -14.182 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.697 25.810 -15.769 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -27.789 26.534 -14.176 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.492 25.473 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.414 25.060 -15.389 1.00 0.00 H new ATOM 61 N GLN A 5 -26.770 22.898 -15.095 1.00 0.00 N ATOM 62 CA GLN A 5 -26.165 21.640 -14.835 1.00 0.00 C ATOM 63 C GLN A 5 -27.148 20.541 -14.373 1.00 0.00 C ATOM 64 O GLN A 5 -27.284 19.493 -15.005 1.00 0.00 O ATOM 65 CB GLN A 5 -25.133 21.897 -13.731 1.00 0.00 C ATOM 66 CG GLN A 5 -24.014 22.911 -14.069 1.00 0.00 C ATOM 67 CD GLN A 5 -22.647 22.298 -14.382 1.00 0.00 C ATOM 68 OE1 GLN A 5 -21.640 22.602 -13.761 1.00 0.00 O ATOM 69 NE2 GLN A 5 -22.522 21.477 -15.397 1.00 0.00 N ATOM 0 H GLN A 5 -26.051 23.601 -15.264 1.00 0.00 H new ATOM 0 HA GLN A 5 -25.734 21.261 -15.761 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -25.660 22.250 -12.844 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.668 20.947 -13.468 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.332 23.505 -14.926 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.902 23.597 -13.229 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -23.344 21.204 -15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.603 21.112 -15.647 1.00 0.00 H new ATOM 78 N CYS A 6 -27.885 20.835 -13.290 1.00 0.00 N ATOM 79 CA CYS A 6 -28.999 20.061 -12.773 1.00 0.00 C ATOM 80 C CYS A 6 -30.373 20.368 -13.346 1.00 0.00 C ATOM 81 O CYS A 6 -31.258 19.510 -13.401 1.00 0.00 O ATOM 82 CB CYS A 6 -29.121 20.368 -11.279 1.00 0.00 C ATOM 83 SG CYS A 6 -27.946 19.472 -10.215 1.00 0.00 S ATOM 0 H CYS A 6 -27.701 21.667 -12.729 1.00 0.00 H new ATOM 0 HA CYS A 6 -28.761 19.032 -13.041 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -28.980 21.439 -11.130 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.135 20.132 -10.956 1.00 0.00 H new ATOM 88 N CYS A 7 -30.581 21.646 -13.619 1.00 0.00 N ATOM 89 CA CYS A 7 -31.884 22.154 -14.020 1.00 0.00 C ATOM 90 C CYS A 7 -32.277 21.769 -15.500 1.00 0.00 C ATOM 91 O CYS A 7 -33.443 21.848 -15.892 1.00 0.00 O ATOM 92 CB CYS A 7 -31.774 23.655 -13.717 1.00 0.00 C ATOM 93 SG CYS A 7 -33.212 24.498 -12.992 1.00 0.00 S ATOM 0 H CYS A 7 -29.854 22.359 -13.569 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.719 21.707 -13.480 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.931 23.796 -13.041 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -31.525 24.164 -14.648 1.00 0.00 H new ATOM 98 N ALA A 8 -31.311 21.282 -16.287 1.00 0.00 N ATOM 99 CA ALA A 8 -31.388 20.130 -17.195 1.00 0.00 C ATOM 100 C ALA A 8 -32.022 18.889 -16.542 1.00 0.00 C ATOM 101 O ALA A 8 -32.810 18.914 -15.589 1.00 0.00 O ATOM 102 CB ALA A 8 -29.928 19.909 -17.627 1.00 0.00 C ATOM 0 H ALA A 8 -30.387 21.714 -16.308 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.045 20.315 -18.045 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.875 19.063 -18.313 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.557 20.804 -18.126 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.316 19.703 -16.749 1.00 0.00 H new ATOM 108 N SER A 9 -31.692 17.756 -17.154 1.00 0.00 N ATOM 109 CA SER A 9 -31.705 16.431 -16.576 1.00 0.00 C ATOM 110 C SER A 9 -30.610 16.229 -15.527 1.00 0.00 C ATOM 111 O SER A 9 -30.052 17.149 -14.908 1.00 0.00 O ATOM 112 CB SER A 9 -31.440 15.511 -17.764 1.00 0.00 C ATOM 113 OG SER A 9 -31.867 14.183 -17.585 1.00 0.00 O ATOM 0 H SER A 9 -31.390 17.746 -18.128 1.00 0.00 H new ATOM 0 HA SER A 9 -32.646 16.241 -16.060 1.00 0.00 H new ATOM 0 HB2 SER A 9 -31.936 15.923 -18.643 1.00 0.00 H new ATOM 0 HB3 SER A 9 -30.370 15.509 -17.973 1.00 0.00 H new ATOM 0 HG SER A 9 -31.662 13.662 -18.390 1.00 0.00 H new ATOM 119 N VAL A 10 -30.364 14.957 -15.407 1.00 0.00 N ATOM 120 CA VAL A 10 -30.138 14.169 -14.245 1.00 0.00 C ATOM 121 C VAL A 10 -28.802 14.442 -13.522 1.00 0.00 C ATOM 122 O VAL A 10 -27.744 14.499 -14.144 1.00 0.00 O ATOM 123 CB VAL A 10 -30.455 12.750 -14.765 1.00 0.00 C ATOM 124 CG1 VAL A 10 -29.433 12.219 -15.752 1.00 0.00 C ATOM 125 CG2 VAL A 10 -30.832 11.801 -13.692 1.00 0.00 C ATOM 0 H VAL A 10 -30.312 14.375 -16.243 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.766 14.405 -13.386 1.00 0.00 H new ATOM 0 HB VAL A 10 -31.362 12.854 -15.361 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -29.723 11.218 -16.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -29.387 12.879 -16.618 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -28.454 12.178 -15.275 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.041 10.824 -14.127 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -30.012 11.713 -12.980 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -31.721 12.167 -13.178 1.00 0.00 H new ATOM 135 N CYS A 11 -28.847 14.650 -12.202 1.00 0.00 N ATOM 136 CA CYS A 11 -27.697 15.093 -11.384 1.00 0.00 C ATOM 137 C CYS A 11 -27.578 14.479 -9.949 1.00 0.00 C ATOM 138 O CYS A 11 -28.556 14.134 -9.272 1.00 0.00 O ATOM 139 CB CYS A 11 -27.636 16.631 -11.375 1.00 0.00 C ATOM 140 SG CYS A 11 -28.636 17.530 -10.172 1.00 0.00 S ATOM 0 H CYS A 11 -29.697 14.514 -11.655 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.815 14.683 -11.876 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.596 16.920 -11.222 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.921 16.979 -12.368 1.00 0.00 H new ATOM 145 N SER A 12 -26.321 14.364 -9.512 1.00 0.00 N ATOM 146 CA SER A 12 -25.668 13.601 -8.527 1.00 0.00 C ATOM 147 C SER A 12 -25.482 14.244 -7.162 1.00 0.00 C ATOM 148 O SER A 12 -26.172 15.152 -6.705 1.00 0.00 O ATOM 149 CB SER A 12 -24.352 13.266 -9.271 1.00 0.00 C ATOM 150 OG SER A 12 -24.322 13.334 -10.701 1.00 0.00 O ATOM 0 H SER A 12 -25.621 14.949 -9.968 1.00 0.00 H new ATOM 0 HA SER A 12 -26.252 12.740 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.582 13.939 -8.894 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.061 12.255 -8.984 1.00 0.00 H new ATOM 0 HG SER A 12 -23.426 13.098 -11.021 1.00 0.00 H new ATOM 156 N LEU A 13 -24.524 13.591 -6.538 1.00 0.00 N ATOM 157 CA LEU A 13 -23.877 13.540 -5.228 1.00 0.00 C ATOM 158 C LEU A 13 -22.563 14.235 -5.263 1.00 0.00 C ATOM 159 O LEU A 13 -22.049 14.503 -4.201 1.00 0.00 O ATOM 160 CB LEU A 13 -23.554 12.039 -5.108 1.00 0.00 C ATOM 161 CG LEU A 13 -24.707 11.036 -5.325 1.00 0.00 C ATOM 162 CD1 LEU A 13 -26.118 11.609 -5.255 1.00 0.00 C ATOM 163 CD2 LEU A 13 -24.542 10.210 -6.602 1.00 0.00 C ATOM 0 H LEU A 13 -24.053 12.886 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 13 -24.486 13.982 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -22.768 11.807 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -23.140 11.864 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 13 -24.612 10.385 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -26.843 10.812 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -26.283 12.049 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -26.238 12.375 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -25.382 9.523 -6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -24.513 10.876 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.613 9.642 -6.551 1.00 0.00 H new ATOM 175 N TYR A 14 -22.080 14.459 -6.486 1.00 0.00 N ATOM 176 CA TYR A 14 -20.913 15.232 -6.984 1.00 0.00 C ATOM 177 C TYR A 14 -21.001 16.369 -7.928 1.00 0.00 C ATOM 178 O TYR A 14 -20.066 17.072 -8.325 1.00 0.00 O ATOM 179 CB TYR A 14 -20.399 14.169 -7.837 1.00 0.00 C ATOM 180 CG TYR A 14 -19.032 14.126 -8.424 1.00 0.00 C ATOM 181 CD1 TYR A 14 -18.178 13.882 -7.358 1.00 0.00 C ATOM 182 CD2 TYR A 14 -19.112 13.203 -9.473 1.00 0.00 C ATOM 183 CE1 TYR A 14 -17.816 12.532 -7.131 1.00 0.00 C ATOM 184 CE2 TYR A 14 -19.369 11.932 -8.927 1.00 0.00 C ATOM 185 CZ TYR A 14 -18.495 11.525 -7.882 1.00 0.00 C ATOM 186 OH TYR A 14 -18.550 10.240 -7.408 1.00 0.00 O ATOM 0 H TYR A 14 -22.567 14.042 -7.280 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.436 15.699 -6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.507 13.248 -7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -21.088 14.103 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -17.808 14.681 -6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.996 13.428 -10.523 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.052 12.273 -6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.177 11.307 -9.278 1.00 0.00 H new ATOM 0 HH TYR A 14 -19.049 9.680 -8.038 1.00 0.00 H new ATOM 196 N GLN A 15 -22.247 16.555 -8.072 1.00 0.00 N ATOM 197 CA GLN A 15 -22.796 17.834 -7.664 1.00 0.00 C ATOM 198 C GLN A 15 -22.296 18.135 -6.258 1.00 0.00 C ATOM 199 O GLN A 15 -21.390 18.889 -5.973 1.00 0.00 O ATOM 200 CB GLN A 15 -24.308 17.629 -7.754 1.00 0.00 C ATOM 201 CG GLN A 15 -24.762 17.056 -9.071 1.00 0.00 C ATOM 202 CD GLN A 15 -24.224 17.755 -10.310 1.00 0.00 C ATOM 203 OE1 GLN A 15 -23.293 17.315 -10.961 1.00 0.00 O ATOM 204 NE2 GLN A 15 -24.788 18.890 -10.652 1.00 0.00 N ATOM 0 H GLN A 15 -22.911 15.881 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 15 -22.501 18.688 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.625 16.965 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -24.806 18.585 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -24.469 16.007 -9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -25.851 17.084 -9.103 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -25.567 19.257 -10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.447 19.405 -11.464 1.00 0.00 H new ATOM 213 N LEU A 16 -22.811 17.291 -5.407 1.00 0.00 N ATOM 214 CA LEU A 16 -23.064 17.419 -3.991 1.00 0.00 C ATOM 215 C LEU A 16 -22.018 17.027 -2.947 1.00 0.00 C ATOM 216 O LEU A 16 -22.183 17.118 -1.732 1.00 0.00 O ATOM 217 CB LEU A 16 -24.427 16.717 -3.971 1.00 0.00 C ATOM 218 CG LEU A 16 -25.615 17.518 -4.516 1.00 0.00 C ATOM 219 CD1 LEU A 16 -26.852 17.027 -3.885 1.00 0.00 C ATOM 220 CD2 LEU A 16 -25.404 19.015 -4.611 1.00 0.00 C ATOM 0 H LEU A 16 -23.104 16.370 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 16 -23.026 18.446 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.345 15.795 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -24.650 16.433 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.725 17.322 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.703 17.591 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.984 15.970 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -26.786 17.156 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.304 19.485 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -25.192 19.416 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.564 19.223 -5.274 1.00 0.00 H new ATOM 232 N GLU A 17 -20.851 16.739 -3.487 1.00 0.00 N ATOM 233 CA GLU A 17 -19.499 16.845 -2.933 1.00 0.00 C ATOM 234 C GLU A 17 -18.965 18.242 -3.262 1.00 0.00 C ATOM 235 O GLU A 17 -18.568 19.013 -2.401 1.00 0.00 O ATOM 236 CB GLU A 17 -18.582 15.922 -3.740 1.00 0.00 C ATOM 237 CG GLU A 17 -19.070 14.520 -3.871 1.00 0.00 C ATOM 238 CD GLU A 17 -19.531 13.754 -2.617 1.00 0.00 C ATOM 239 OE1 GLU A 17 -19.423 14.140 -1.457 1.00 0.00 O ATOM 240 OE2 GLU A 17 -20.041 12.531 -2.905 1.00 0.00 O ATOM 0 H GLU A 17 -20.815 16.381 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.523 16.619 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.453 16.342 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.599 15.908 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.904 14.529 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.272 13.939 -4.333 1.00 0.00 H new ATOM 248 N ASN A 18 -18.924 18.482 -4.576 1.00 0.00 N ATOM 249 CA ASN A 18 -17.982 19.403 -5.252 1.00 0.00 C ATOM 250 C ASN A 18 -18.091 20.822 -4.719 1.00 0.00 C ATOM 251 O ASN A 18 -17.159 21.485 -4.237 1.00 0.00 O ATOM 252 CB ASN A 18 -18.314 19.357 -6.735 1.00 0.00 C ATOM 253 CG ASN A 18 -17.198 18.997 -7.679 1.00 0.00 C ATOM 254 OD1 ASN A 18 -16.743 19.682 -8.576 1.00 0.00 O ATOM 255 ND2 ASN A 18 -16.807 17.813 -7.361 1.00 0.00 N ATOM 0 H ASN A 18 -19.564 18.029 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 18 -16.954 19.091 -5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.122 18.640 -6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.700 20.334 -7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.050 17.369 -7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.254 17.318 -6.589 1.00 0.00 H new ATOM 262 N TYR A 19 -19.338 21.157 -4.870 1.00 0.00 N ATOM 263 CA TYR A 19 -20.018 22.397 -4.581 1.00 0.00 C ATOM 264 C TYR A 19 -20.040 22.675 -3.096 1.00 0.00 C ATOM 265 O TYR A 19 -19.503 23.613 -2.528 1.00 0.00 O ATOM 266 CB TYR A 19 -21.390 22.105 -5.178 1.00 0.00 C ATOM 267 CG TYR A 19 -21.482 22.595 -6.540 1.00 0.00 C ATOM 268 CD1 TYR A 19 -21.634 23.951 -6.769 1.00 0.00 C ATOM 269 CD2 TYR A 19 -20.841 21.796 -7.496 1.00 0.00 C ATOM 270 CE1 TYR A 19 -21.035 24.425 -7.930 1.00 0.00 C ATOM 271 CE2 TYR A 19 -19.693 22.386 -7.916 1.00 0.00 C ATOM 272 CZ TYR A 19 -19.892 23.712 -8.393 1.00 0.00 C ATOM 273 OH TYR A 19 -19.229 24.179 -9.481 1.00 0.00 O ATOM 0 H TYR A 19 -19.995 20.476 -5.251 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.557 23.297 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -21.576 21.031 -5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.163 22.572 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -22.179 24.595 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.209 20.844 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -21.416 25.289 -8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.729 21.900 -7.891 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.471 23.591 -9.679 1.00 0.00 H new ATOM 283 N CYS A 20 -20.788 21.748 -2.555 1.00 0.00 N ATOM 284 CA CYS A 20 -21.524 21.807 -1.310 1.00 0.00 C ATOM 285 C CYS A 20 -20.618 21.754 -0.057 1.00 0.00 C ATOM 286 O CYS A 20 -20.806 22.568 0.835 1.00 0.00 O ATOM 287 CB CYS A 20 -22.429 20.588 -1.480 1.00 0.00 C ATOM 288 SG CYS A 20 -23.282 19.856 -0.043 1.00 0.00 S ATOM 0 H CYS A 20 -20.911 20.846 -3.016 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.060 22.740 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -23.196 20.856 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.825 19.800 -1.931 1.00 0.00 H new ATOM 293 N ASN A 21 -19.658 20.826 0.054 1.00 0.00 N ATOM 294 CA ASN A 21 -18.879 20.525 1.251 1.00 0.00 C ATOM 295 C ASN A 21 -17.773 21.559 1.521 1.00 0.00 C ATOM 296 O ASN A 21 -17.461 21.776 2.721 1.00 0.00 O ATOM 297 CB ASN A 21 -18.369 19.105 0.942 1.00 0.00 C ATOM 298 CG ASN A 21 -17.629 18.350 2.060 1.00 0.00 C ATOM 299 OD1 ASN A 21 -17.423 17.153 1.991 1.00 0.00 O ATOM 300 ND2 ASN A 21 -17.226 19.014 3.104 1.00 0.00 N ATOM 301 OXT ASN A 21 -17.177 22.105 0.575 1.00 0.00 O ATOM 0 H ASN A 21 -19.394 20.236 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 21 -19.447 20.573 2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -19.224 18.501 0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.702 19.168 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.740 18.531 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.396 20.018 3.167 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -28.349 4.205 -5.769 1.00 0.00 N ATOM 310 CA PHE B 1 -27.847 5.332 -4.949 1.00 0.00 C ATOM 311 C PHE B 1 -29.031 6.206 -4.506 1.00 0.00 C ATOM 312 O PHE B 1 -29.718 5.861 -3.548 1.00 0.00 O ATOM 313 CB PHE B 1 -26.669 6.094 -5.656 1.00 0.00 C ATOM 314 CG PHE B 1 -25.732 6.679 -4.634 1.00 0.00 C ATOM 315 CD1 PHE B 1 -25.889 8.000 -4.167 1.00 0.00 C ATOM 316 CD2 PHE B 1 -25.287 5.666 -3.801 1.00 0.00 C ATOM 317 CE1 PHE B 1 -25.748 8.230 -2.797 1.00 0.00 C ATOM 318 CE2 PHE B 1 -25.670 5.822 -2.487 1.00 0.00 C ATOM 319 CZ PHE B 1 -25.786 7.116 -1.923 1.00 0.00 C ATOM 0 H1 PHE B 1 -27.550 3.612 -6.070 1.00 0.00 H new ATOM 0 H2 PHE B 1 -29.011 3.634 -5.206 1.00 0.00 H new ATOM 0 H3 PHE B 1 -28.839 4.577 -6.607 1.00 0.00 H new ATOM 0 HA PHE B 1 -27.387 4.957 -4.034 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -26.125 5.410 -6.308 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -27.068 6.887 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -26.111 8.809 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -24.695 4.832 -4.149 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -25.614 9.231 -2.414 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -25.883 4.952 -1.883 1.00 0.00 H new ATOM 0 HZ PHE B 1 -25.900 7.249 -0.857 1.00 0.00 H new ATOM 331 N VAL B 2 -29.276 7.330 -5.200 1.00 0.00 N ATOM 332 CA VAL B 2 -30.155 8.445 -4.806 1.00 0.00 C ATOM 333 C VAL B 2 -31.010 9.026 -5.919 1.00 0.00 C ATOM 334 O VAL B 2 -32.170 9.388 -5.742 1.00 0.00 O ATOM 335 CB VAL B 2 -29.230 9.549 -4.280 1.00 0.00 C ATOM 336 CG1 VAL B 2 -29.696 11.016 -4.329 1.00 0.00 C ATOM 337 CG2 VAL B 2 -28.919 9.241 -2.805 1.00 0.00 C ATOM 0 H VAL B 2 -28.839 7.495 -6.107 1.00 0.00 H new ATOM 0 HA VAL B 2 -30.865 8.060 -4.074 1.00 0.00 H new ATOM 0 HB VAL B 2 -28.392 9.510 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -28.918 11.659 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -29.893 11.301 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -30.608 11.128 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -28.261 10.012 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -29.847 9.222 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -28.428 8.271 -2.732 1.00 0.00 H new ATOM 347 N ASN B 3 -30.306 9.178 -7.018 1.00 0.00 N ATOM 348 CA ASN B 3 -30.500 10.186 -8.047 1.00 0.00 C ATOM 349 C ASN B 3 -31.893 10.282 -8.669 1.00 0.00 C ATOM 350 O ASN B 3 -32.758 9.404 -8.693 1.00 0.00 O ATOM 351 CB ASN B 3 -29.474 9.983 -9.164 1.00 0.00 C ATOM 352 CG ASN B 3 -28.119 10.568 -8.967 1.00 0.00 C ATOM 353 OD1 ASN B 3 -27.636 10.167 -7.829 1.00 0.00 O flip ATOM 354 ND2 ASN B 3 -27.494 11.211 -9.805 1.00 0.00 N flip ATOM 0 H ASN B 3 -29.526 8.558 -7.236 1.00 0.00 H new ATOM 0 HA ASN B 3 -30.367 11.129 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -29.358 8.911 -9.323 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -29.890 10.398 -10.082 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -27.946 11.489 -10.676 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -26.522 11.468 -9.630 1.00 0.00 H new ATOM 361 N GLN B 4 -32.007 11.460 -9.255 1.00 0.00 N ATOM 362 CA GLN B 4 -33.039 12.178 -9.905 1.00 0.00 C ATOM 363 C GLN B 4 -32.356 13.280 -10.725 1.00 0.00 C ATOM 364 O GLN B 4 -31.174 13.298 -11.066 1.00 0.00 O ATOM 365 CB GLN B 4 -33.956 12.736 -8.791 1.00 0.00 C ATOM 366 CG GLN B 4 -33.455 13.874 -7.907 1.00 0.00 C ATOM 367 CD GLN B 4 -32.544 13.397 -6.747 1.00 0.00 C ATOM 368 OE1 GLN B 4 -33.043 12.951 -5.716 1.00 0.00 O ATOM 369 NE2 GLN B 4 -31.238 13.467 -6.807 1.00 0.00 N ATOM 0 H GLN B 4 -31.170 12.042 -9.273 1.00 0.00 H new ATOM 0 HA GLN B 4 -33.649 11.579 -10.581 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -34.878 13.072 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -34.218 11.905 -8.136 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -32.905 14.587 -8.522 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -34.311 14.406 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -30.785 13.831 -7.645 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -30.674 13.157 -6.016 1.00 0.00 H new ATOM 378 N HIS B 5 -33.256 14.167 -10.994 1.00 0.00 N ATOM 379 CA HIS B 5 -33.535 14.798 -12.265 1.00 0.00 C ATOM 380 C HIS B 5 -33.296 16.288 -12.233 1.00 0.00 C ATOM 381 O HIS B 5 -32.502 16.884 -12.960 1.00 0.00 O ATOM 382 CB HIS B 5 -35.008 14.410 -12.539 1.00 0.00 C ATOM 383 CG HIS B 5 -35.375 13.718 -13.848 1.00 0.00 C ATOM 384 ND1 HIS B 5 -36.278 12.699 -13.636 1.00 0.00 N flip ATOM 385 CD2 HIS B 5 -34.290 13.035 -14.387 1.00 0.00 C flip ATOM 386 CE1 HIS B 5 -35.491 11.581 -13.476 1.00 0.00 C flip ATOM 387 NE2 HIS B 5 -34.215 11.964 -13.601 1.00 0.00 N flip ATOM 0 H HIS B 5 -33.882 14.509 -10.265 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.872 14.466 -13.064 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -35.331 13.760 -11.725 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -35.603 15.321 -12.474 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -37.296 12.759 -13.605 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -33.668 13.305 -15.228 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -35.840 10.577 -13.284 1.00 0.00 H new ATOM 395 N LEU B 6 -34.067 16.790 -11.307 1.00 0.00 N ATOM 396 CA LEU B 6 -34.843 17.980 -11.561 1.00 0.00 C ATOM 397 C LEU B 6 -34.219 19.328 -11.204 1.00 0.00 C ATOM 398 O LEU B 6 -33.204 19.481 -10.524 1.00 0.00 O ATOM 399 CB LEU B 6 -36.283 17.854 -10.981 1.00 0.00 C ATOM 400 CG LEU B 6 -37.471 17.789 -11.986 1.00 0.00 C ATOM 401 CD1 LEU B 6 -38.433 18.948 -11.692 1.00 0.00 C ATOM 402 CD2 LEU B 6 -37.171 17.860 -13.483 1.00 0.00 C ATOM 0 H LEU B 6 -34.177 16.398 -10.372 1.00 0.00 H new ATOM 0 HA LEU B 6 -34.873 18.012 -12.650 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -36.318 16.956 -10.364 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -36.452 18.703 -10.318 1.00 0.00 H new ATOM 0 HG LEU B 6 -37.866 16.787 -11.817 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.269 18.913 -12.390 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -38.808 18.860 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.906 19.896 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -38.104 17.802 -14.044 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -36.669 18.801 -13.709 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -36.526 17.028 -13.765 1.00 0.00 H new ATOM 414 N CYS B 7 -34.972 20.320 -11.671 1.00 0.00 N ATOM 415 CA CYS B 7 -34.784 21.755 -11.655 1.00 0.00 C ATOM 416 C CYS B 7 -35.641 22.441 -10.568 1.00 0.00 C ATOM 417 O CYS B 7 -36.795 22.068 -10.383 1.00 0.00 O ATOM 418 CB CYS B 7 -35.266 22.115 -13.074 1.00 0.00 C ATOM 419 SG CYS B 7 -34.956 23.762 -13.783 1.00 0.00 S ATOM 0 H CYS B 7 -35.852 20.094 -12.134 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.768 22.075 -11.423 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.825 21.387 -13.755 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -36.344 21.957 -13.094 1.00 0.00 H new ATOM 424 N GLY B 8 -35.118 23.472 -9.888 1.00 0.00 N ATOM 425 CA GLY B 8 -35.808 24.116 -8.768 1.00 0.00 C ATOM 426 C GLY B 8 -34.939 24.540 -7.581 1.00 0.00 C ATOM 427 O GLY B 8 -33.708 24.524 -7.564 1.00 0.00 O ATOM 0 H GLY B 8 -34.207 23.879 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -36.322 24.999 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -36.575 23.433 -8.402 1.00 0.00 H new ATOM 431 N SER B 9 -35.710 24.908 -6.568 1.00 0.00 N ATOM 432 CA SER B 9 -35.375 25.497 -5.256 1.00 0.00 C ATOM 433 C SER B 9 -35.659 24.703 -4.039 1.00 0.00 C ATOM 434 O SER B 9 -35.353 25.014 -2.903 1.00 0.00 O ATOM 435 CB SER B 9 -36.274 26.698 -5.129 1.00 0.00 C ATOM 436 OG SER B 9 -36.058 27.613 -6.206 1.00 0.00 O ATOM 0 H SER B 9 -36.720 24.789 -6.647 1.00 0.00 H new ATOM 0 HA SER B 9 -34.295 25.643 -5.275 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.316 26.378 -5.122 1.00 0.00 H new ATOM 0 HB3 SER B 9 -36.087 27.198 -4.179 1.00 0.00 H new ATOM 0 HG SER B 9 -36.654 28.385 -6.104 1.00 0.00 H new ATOM 442 N HIS B 10 -36.207 23.585 -4.360 1.00 0.00 N ATOM 443 CA HIS B 10 -36.720 22.601 -3.463 1.00 0.00 C ATOM 444 C HIS B 10 -36.363 21.158 -3.560 1.00 0.00 C ATOM 445 O HIS B 10 -36.783 20.211 -2.911 1.00 0.00 O ATOM 446 CB HIS B 10 -38.156 22.754 -3.757 1.00 0.00 C ATOM 447 CG HIS B 10 -38.944 22.883 -2.492 1.00 0.00 C ATOM 448 ND1 HIS B 10 -38.510 23.872 -1.682 1.00 0.00 N flip ATOM 449 CD2 HIS B 10 -40.035 22.236 -1.942 1.00 0.00 C flip ATOM 450 CE1 HIS B 10 -39.339 23.843 -0.578 1.00 0.00 C flip ATOM 451 NE2 HIS B 10 -40.230 22.862 -0.766 1.00 0.00 N flip ATOM 0 H HIS B 10 -36.319 23.309 -5.336 1.00 0.00 H new ATOM 0 HA HIS B 10 -36.305 22.795 -2.474 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -38.313 23.634 -4.380 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -38.510 21.894 -4.325 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -40.601 21.417 -2.360 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -39.279 24.494 0.282 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.965 22.619 -0.102 1.00 0.00 H new ATOM 459 N LEU B 11 -35.530 21.158 -4.522 1.00 0.00 N ATOM 460 CA LEU B 11 -34.132 20.802 -4.472 1.00 0.00 C ATOM 461 C LEU B 11 -32.968 21.765 -4.701 1.00 0.00 C ATOM 462 O LEU B 11 -31.922 21.456 -5.261 1.00 0.00 O ATOM 463 CB LEU B 11 -34.138 19.502 -5.259 1.00 0.00 C ATOM 464 CG LEU B 11 -34.566 19.633 -6.748 1.00 0.00 C ATOM 465 CD1 LEU B 11 -36.096 19.526 -6.959 1.00 0.00 C ATOM 466 CD2 LEU B 11 -34.212 20.964 -7.425 1.00 0.00 C ATOM 0 H LEU B 11 -35.815 21.430 -5.463 1.00 0.00 H new ATOM 0 HA LEU B 11 -33.819 20.770 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -33.139 19.068 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -34.809 18.800 -4.765 1.00 0.00 H new ATOM 0 HG LEU B 11 -34.008 18.807 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -36.325 19.626 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -36.446 18.557 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -36.596 20.319 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -34.555 20.949 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -34.697 21.783 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -33.132 21.107 -7.403 1.00 0.00 H new ATOM 478 N VAL B 12 -33.099 22.736 -3.814 1.00 0.00 N ATOM 479 CA VAL B 12 -32.128 23.307 -2.908 1.00 0.00 C ATOM 480 C VAL B 12 -32.553 23.303 -1.507 1.00 0.00 C ATOM 481 O VAL B 12 -31.776 23.367 -0.602 1.00 0.00 O ATOM 482 CB VAL B 12 -32.053 24.753 -3.342 1.00 0.00 C ATOM 483 CG1 VAL B 12 -31.770 25.792 -2.314 1.00 0.00 C ATOM 484 CG2 VAL B 12 -31.703 24.861 -4.811 1.00 0.00 C ATOM 0 H VAL B 12 -34.002 23.196 -3.702 1.00 0.00 H new ATOM 0 HA VAL B 12 -31.199 22.738 -2.952 1.00 0.00 H new ATOM 0 HB VAL B 12 -33.026 25.244 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.749 26.774 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.549 25.772 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.804 25.592 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.655 25.912 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.735 24.392 -4.990 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -32.466 24.357 -5.405 1.00 0.00 H new ATOM 494 N GLU B 13 -33.813 23.139 -1.348 1.00 0.00 N ATOM 495 CA GLU B 13 -34.407 22.739 -0.092 1.00 0.00 C ATOM 496 C GLU B 13 -35.196 21.459 -0.006 1.00 0.00 C ATOM 497 O GLU B 13 -35.959 21.090 0.872 1.00 0.00 O ATOM 498 CB GLU B 13 -35.348 23.831 0.272 1.00 0.00 C ATOM 499 CG GLU B 13 -34.889 25.280 0.235 1.00 0.00 C ATOM 500 CD GLU B 13 -36.047 26.268 0.418 1.00 0.00 C ATOM 501 OE1 GLU B 13 -37.220 25.984 0.679 1.00 0.00 O ATOM 502 OE2 GLU B 13 -35.687 27.560 0.230 1.00 0.00 O ATOM 0 H GLU B 13 -34.492 23.278 -2.096 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.552 22.554 0.558 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -36.211 23.748 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.701 23.630 1.283 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -34.149 25.443 1.019 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -34.395 25.477 -0.716 1.00 0.00 H new ATOM 510 N ALA B 14 -34.754 20.743 -0.976 1.00 0.00 N ATOM 511 CA ALA B 14 -34.047 19.526 -0.602 1.00 0.00 C ATOM 512 C ALA B 14 -32.590 19.651 -0.280 1.00 0.00 C ATOM 513 O ALA B 14 -32.110 19.008 0.639 1.00 0.00 O ATOM 514 CB ALA B 14 -34.086 18.645 -1.812 1.00 0.00 C ATOM 0 H ALA B 14 -34.847 20.939 -1.973 1.00 0.00 H new ATOM 0 HA ALA B 14 -34.539 19.173 0.304 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -33.570 17.709 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -35.123 18.435 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -33.594 19.148 -2.644 1.00 0.00 H new ATOM 520 N LEU B 15 -31.851 20.431 -1.040 1.00 0.00 N ATOM 521 CA LEU B 15 -30.449 20.111 -1.142 1.00 0.00 C ATOM 522 C LEU B 15 -29.736 20.505 0.152 1.00 0.00 C ATOM 523 O LEU B 15 -28.916 19.800 0.718 1.00 0.00 O ATOM 524 CB LEU B 15 -29.993 20.437 -2.590 1.00 0.00 C ATOM 525 CG LEU B 15 -28.803 21.371 -2.795 1.00 0.00 C ATOM 526 CD1 LEU B 15 -28.911 22.686 -2.002 1.00 0.00 C ATOM 527 CD2 LEU B 15 -27.650 20.654 -2.196 1.00 0.00 C ATOM 0 H LEU B 15 -32.174 21.243 -1.566 1.00 0.00 H new ATOM 0 HA LEU B 15 -30.128 19.070 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -29.760 19.493 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -30.845 20.869 -3.115 1.00 0.00 H new ATOM 0 HG LEU B 15 -28.730 21.613 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -28.032 23.301 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -29.806 23.225 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -28.972 22.464 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -26.750 21.260 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -27.844 20.473 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -27.508 19.702 -2.707 1.00 0.00 H new ATOM 539 N TYR B 16 -30.238 21.574 0.740 1.00 0.00 N ATOM 540 CA TYR B 16 -29.935 22.063 2.093 1.00 0.00 C ATOM 541 C TYR B 16 -30.062 21.071 3.204 1.00 0.00 C ATOM 542 O TYR B 16 -29.337 21.054 4.194 1.00 0.00 O ATOM 543 CB TYR B 16 -30.982 23.107 2.293 1.00 0.00 C ATOM 544 CG TYR B 16 -30.767 24.315 3.186 1.00 0.00 C ATOM 545 CD1 TYR B 16 -31.433 25.350 2.532 1.00 0.00 C ATOM 546 CD2 TYR B 16 -29.399 24.476 3.439 1.00 0.00 C ATOM 547 CE1 TYR B 16 -30.757 25.800 1.398 1.00 0.00 C ATOM 548 CE2 TYR B 16 -28.677 25.046 2.373 1.00 0.00 C ATOM 549 CZ TYR B 16 -29.337 25.735 1.347 1.00 0.00 C ATOM 550 OH TYR B 16 -28.678 25.970 0.179 1.00 0.00 O ATOM 0 H TYR B 16 -30.914 22.171 0.263 1.00 0.00 H new ATOM 0 HA TYR B 16 -28.891 22.375 2.138 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.233 23.491 1.304 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.867 22.594 2.670 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -32.374 25.760 2.868 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -28.937 24.188 4.372 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -31.311 26.197 0.560 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -27.602 24.951 2.346 1.00 0.00 H new ATOM 0 HH TYR B 16 -27.713 25.885 0.325 1.00 0.00 H new ATOM 560 N LEU B 17 -31.065 20.268 2.962 1.00 0.00 N ATOM 561 CA LEU B 17 -31.634 19.270 3.812 1.00 0.00 C ATOM 562 C LEU B 17 -30.970 17.887 3.718 1.00 0.00 C ATOM 563 O LEU B 17 -31.143 16.991 4.549 1.00 0.00 O ATOM 564 CB LEU B 17 -33.127 19.367 3.547 1.00 0.00 C ATOM 565 CG LEU B 17 -33.714 20.734 3.897 1.00 0.00 C ATOM 566 CD1 LEU B 17 -35.246 20.639 3.930 1.00 0.00 C ATOM 567 CD2 LEU B 17 -33.273 21.360 5.232 1.00 0.00 C ATOM 0 H LEU B 17 -31.551 20.307 2.066 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.440 19.445 4.870 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -33.317 19.156 2.495 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -33.642 18.599 4.124 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.326 21.386 3.114 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -35.666 21.614 4.180 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -35.612 20.326 2.952 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -35.549 19.910 4.682 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -33.761 22.327 5.359 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.554 20.701 6.053 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.192 21.497 5.230 1.00 0.00 H new ATOM 579 N VAL B 18 -30.154 17.794 2.702 1.00 0.00 N ATOM 580 CA VAL B 18 -29.494 16.602 2.176 1.00 0.00 C ATOM 581 C VAL B 18 -27.994 16.632 2.383 1.00 0.00 C ATOM 582 O VAL B 18 -27.386 15.837 3.095 1.00 0.00 O ATOM 583 CB VAL B 18 -29.886 16.541 0.712 1.00 0.00 C ATOM 584 CG1 VAL B 18 -28.957 15.835 -0.223 1.00 0.00 C ATOM 585 CG2 VAL B 18 -31.296 16.102 0.670 1.00 0.00 C ATOM 0 H VAL B 18 -29.903 18.623 2.163 1.00 0.00 H new ATOM 0 HA VAL B 18 -29.810 15.703 2.705 1.00 0.00 H new ATOM 0 HB VAL B 18 -29.784 17.539 0.286 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -29.363 15.869 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -27.983 16.324 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -28.847 14.796 0.089 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -31.628 16.042 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -31.386 15.121 1.137 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -31.916 16.818 1.208 1.00 0.00 H new ATOM 595 N CYS B 19 -27.498 17.629 1.715 1.00 0.00 N ATOM 596 CA CYS B 19 -26.099 17.952 1.443 1.00 0.00 C ATOM 597 C CYS B 19 -25.516 18.658 2.668 1.00 0.00 C ATOM 598 O CYS B 19 -24.416 18.367 3.133 1.00 0.00 O ATOM 599 CB CYS B 19 -26.209 18.798 0.184 1.00 0.00 C ATOM 600 SG CYS B 19 -24.780 18.825 -0.922 1.00 0.00 S ATOM 0 H CYS B 19 -28.118 18.321 1.295 1.00 0.00 H new ATOM 0 HA CYS B 19 -25.419 17.117 1.276 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -27.070 18.446 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -26.423 19.824 0.484 1.00 0.00 H new ATOM 605 N GLY B 20 -26.432 19.386 3.306 1.00 0.00 N ATOM 606 CA GLY B 20 -26.690 19.230 4.747 1.00 0.00 C ATOM 607 C GLY B 20 -26.024 20.177 5.744 1.00 0.00 C ATOM 608 O GLY B 20 -26.378 21.353 5.858 1.00 0.00 O ATOM 0 H GLY B 20 -27.011 20.092 2.852 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -27.767 19.307 4.895 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -26.403 18.215 5.021 1.00 0.00 H new ATOM 612 N GLU B 21 -25.099 19.622 6.507 1.00 0.00 N ATOM 613 CA GLU B 21 -24.494 20.081 7.732 1.00 0.00 C ATOM 614 C GLU B 21 -23.852 21.474 7.711 1.00 0.00 C ATOM 615 O GLU B 21 -24.158 22.443 8.421 1.00 0.00 O ATOM 616 CB GLU B 21 -23.421 18.992 7.926 1.00 0.00 C ATOM 617 CG GLU B 21 -23.875 17.634 8.427 1.00 0.00 C ATOM 618 CD GLU B 21 -24.454 17.602 9.846 1.00 0.00 C ATOM 619 OE1 GLU B 21 -24.451 18.514 10.662 1.00 0.00 O ATOM 620 OE2 GLU B 21 -25.036 16.409 10.161 1.00 0.00 O ATOM 0 H GLU B 21 -24.708 18.719 6.240 1.00 0.00 H new ATOM 0 HA GLU B 21 -25.237 20.206 8.520 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -22.916 18.845 6.971 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -22.677 19.375 8.624 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -24.628 17.248 7.740 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -23.026 16.951 8.386 1.00 0.00 H new ATOM 628 N ARG B 22 -22.881 21.408 6.832 1.00 0.00 N ATOM 629 CA ARG B 22 -22.048 22.415 6.128 1.00 0.00 C ATOM 630 C ARG B 22 -22.697 23.789 5.820 1.00 0.00 C ATOM 631 O ARG B 22 -23.902 24.051 5.991 1.00 0.00 O ATOM 632 CB ARG B 22 -21.770 21.640 4.825 1.00 0.00 C ATOM 633 CG ARG B 22 -20.927 20.361 5.052 1.00 0.00 C ATOM 634 CD ARG B 22 -21.604 19.188 4.360 1.00 0.00 C ATOM 635 NE ARG B 22 -20.789 17.960 4.413 1.00 0.00 N ATOM 636 CZ ARG B 22 -21.013 16.885 3.679 1.00 0.00 C ATOM 637 NH1 ARG B 22 -22.038 16.784 2.873 1.00 0.00 N ATOM 638 NH2 ARG B 22 -20.148 15.900 3.678 1.00 0.00 N ATOM 0 H ARG B 22 -22.589 20.480 6.525 1.00 0.00 H new ATOM 0 HA ARG B 22 -21.198 22.729 6.734 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.718 21.367 4.362 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.249 22.293 4.124 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -19.920 20.500 4.658 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -20.827 20.161 6.119 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -22.570 19.001 4.829 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.800 19.447 3.319 1.00 0.00 H new ATOM 0 HE ARG B 22 -20.000 17.939 5.059 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -22.702 17.554 2.793 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -22.173 15.935 2.324 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -19.302 15.964 4.244 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -20.321 15.070 3.111 1.00 0.00 H new ATOM 652 N GLY B 23 -21.921 24.548 5.062 1.00 0.00 N ATOM 653 CA GLY B 23 -22.304 24.566 3.656 1.00 0.00 C ATOM 654 C GLY B 23 -22.858 25.780 2.942 1.00 0.00 C ATOM 655 O GLY B 23 -22.304 26.878 2.822 1.00 0.00 O ATOM 0 H GLY B 23 -21.113 25.101 5.347 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.419 24.262 3.096 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -23.046 23.777 3.533 1.00 0.00 H new ATOM 659 N PHE B 24 -23.873 25.317 2.240 1.00 0.00 N ATOM 660 CA PHE B 24 -23.868 25.047 0.809 1.00 0.00 C ATOM 661 C PHE B 24 -23.683 26.261 -0.083 1.00 0.00 C ATOM 662 O PHE B 24 -23.980 27.421 0.241 1.00 0.00 O ATOM 663 CB PHE B 24 -25.064 24.135 0.516 1.00 0.00 C ATOM 664 CG PHE B 24 -24.628 22.678 0.541 1.00 0.00 C ATOM 665 CD1 PHE B 24 -24.021 22.370 1.753 1.00 0.00 C ATOM 666 CD2 PHE B 24 -25.771 21.948 0.275 1.00 0.00 C ATOM 667 CE1 PHE B 24 -24.892 22.256 2.828 1.00 0.00 C ATOM 668 CE2 PHE B 24 -26.719 22.129 1.252 1.00 0.00 C ATOM 669 CZ PHE B 24 -26.283 22.238 2.602 1.00 0.00 C ATOM 0 H PHE B 24 -24.773 25.107 2.672 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.960 24.512 0.530 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.848 24.301 1.255 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -25.488 24.379 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -22.955 22.230 1.851 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.902 21.316 -0.591 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -24.505 22.181 3.834 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -27.768 22.187 1.002 1.00 0.00 H new ATOM 0 HZ PHE B 24 -26.987 22.304 3.418 1.00 0.00 H new ATOM 679 N PHE B 25 -23.141 25.954 -1.258 1.00 0.00 N ATOM 680 CA PHE B 25 -22.588 26.768 -2.261 1.00 0.00 C ATOM 681 C PHE B 25 -23.415 27.981 -2.629 1.00 0.00 C ATOM 682 O PHE B 25 -23.019 29.147 -2.718 1.00 0.00 O ATOM 683 CB PHE B 25 -22.554 25.717 -3.412 1.00 0.00 C ATOM 684 CG PHE B 25 -21.657 26.181 -4.458 1.00 0.00 C ATOM 685 CD1 PHE B 25 -20.438 26.410 -3.869 1.00 0.00 C ATOM 686 CD2 PHE B 25 -22.268 27.040 -5.372 1.00 0.00 C ATOM 687 CE1 PHE B 25 -20.032 27.753 -3.885 1.00 0.00 C ATOM 688 CE2 PHE B 25 -21.636 28.246 -5.640 1.00 0.00 C ATOM 689 CZ PHE B 25 -20.521 28.643 -4.855 1.00 0.00 C ATOM 0 H PHE B 25 -23.088 24.975 -1.538 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.642 27.234 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -22.218 24.753 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -23.556 25.569 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.842 25.623 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -23.198 26.776 -5.853 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -19.334 28.107 -3.141 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -21.990 28.879 -6.441 1.00 0.00 H new ATOM 0 HZ PHE B 25 -20.059 29.608 -5.001 1.00 0.00 H new ATOM 699 N TYR B 26 -24.589 27.495 -2.919 1.00 0.00 N ATOM 700 CA TYR B 26 -25.484 28.004 -3.940 1.00 0.00 C ATOM 701 C TYR B 26 -25.914 29.478 -3.883 1.00 0.00 C ATOM 702 O TYR B 26 -25.840 30.209 -2.895 1.00 0.00 O ATOM 703 CB TYR B 26 -26.715 27.153 -4.041 1.00 0.00 C ATOM 704 CG TYR B 26 -27.367 26.873 -5.379 1.00 0.00 C ATOM 705 CD1 TYR B 26 -26.428 26.462 -6.307 1.00 0.00 C ATOM 706 CD2 TYR B 26 -28.406 25.956 -5.170 1.00 0.00 C ATOM 707 CE1 TYR B 26 -25.847 25.288 -5.869 1.00 0.00 C ATOM 708 CE2 TYR B 26 -28.076 24.574 -5.236 1.00 0.00 C ATOM 709 CZ TYR B 26 -26.705 24.249 -5.419 1.00 0.00 C ATOM 710 OH TYR B 26 -26.216 23.081 -4.922 1.00 0.00 O ATOM 0 H TYR B 26 -24.975 26.689 -2.427 1.00 0.00 H new ATOM 0 HA TYR B 26 -24.849 27.950 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -26.472 26.188 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -27.473 27.613 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -26.188 26.976 -7.226 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -29.415 26.285 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -24.774 25.164 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -28.832 23.808 -5.151 1.00 0.00 H new ATOM 0 HH TYR B 26 -26.853 22.708 -4.277 1.00 0.00 H new ATOM 720 N THR B 27 -26.324 29.834 -5.083 1.00 0.00 N ATOM 721 CA THR B 27 -25.791 30.992 -5.773 1.00 0.00 C ATOM 722 C THR B 27 -26.734 31.613 -6.826 1.00 0.00 C ATOM 723 O THR B 27 -27.489 30.879 -7.466 1.00 0.00 O ATOM 724 CB THR B 27 -24.465 30.469 -6.365 1.00 0.00 C ATOM 725 OG1 THR B 27 -23.562 31.465 -6.795 1.00 0.00 O ATOM 726 CG2 THR B 27 -24.558 29.382 -7.414 1.00 0.00 C ATOM 0 H THR B 27 -27.037 29.328 -5.609 1.00 0.00 H new ATOM 0 HA THR B 27 -25.654 31.836 -5.097 1.00 0.00 H new ATOM 0 HB THR B 27 -24.057 29.995 -5.472 1.00 0.00 H new ATOM 0 HG1 THR B 27 -22.723 31.384 -6.295 1.00 0.00 H new ATOM 0 HG21 THR B 27 -23.556 29.108 -7.744 1.00 0.00 H new ATOM 0 HG22 THR B 27 -25.052 28.508 -6.990 1.00 0.00 H new ATOM 0 HG23 THR B 27 -25.133 29.746 -8.265 1.00 0.00 H new ATOM 734 N PRO B 28 -26.729 32.939 -7.033 1.00 0.00 N ATOM 735 CA PRO B 28 -27.766 33.656 -7.788 1.00 0.00 C ATOM 736 C PRO B 28 -27.549 33.663 -9.309 1.00 0.00 C ATOM 737 O PRO B 28 -27.872 34.638 -9.997 1.00 0.00 O ATOM 738 CB PRO B 28 -27.818 35.051 -7.132 1.00 0.00 C ATOM 739 CG PRO B 28 -26.372 35.290 -6.738 1.00 0.00 C ATOM 740 CD PRO B 28 -25.902 33.902 -6.323 1.00 0.00 C ATOM 0 HA PRO B 28 -28.732 33.156 -7.728 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -28.180 35.811 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -28.481 35.067 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -25.786 35.684 -7.569 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -26.288 36.007 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -24.850 33.762 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -25.996 33.770 -5.245 1.00 0.00 H new ATOM 748 N LYS B 29 -27.008 32.570 -9.873 1.00 0.00 N ATOM 749 CA LYS B 29 -26.595 32.428 -11.289 1.00 0.00 C ATOM 750 C LYS B 29 -27.687 31.817 -12.193 1.00 0.00 C ATOM 751 O LYS B 29 -27.373 31.229 -13.232 1.00 0.00 O ATOM 752 CB LYS B 29 -25.232 31.709 -11.358 1.00 0.00 C ATOM 753 CG LYS B 29 -24.130 32.525 -10.656 1.00 0.00 C ATOM 754 CD LYS B 29 -22.829 31.723 -10.614 1.00 0.00 C ATOM 755 CE LYS B 29 -21.653 32.512 -10.038 1.00 0.00 C ATOM 756 NZ LYS B 29 -21.899 32.963 -8.650 1.00 0.00 N ATOM 0 H LYS B 29 -26.837 31.721 -9.335 1.00 0.00 H new ATOM 0 HA LYS B 29 -26.462 33.424 -11.712 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -25.313 30.727 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -24.958 31.545 -12.400 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -23.970 33.465 -11.184 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -24.443 32.778 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -22.983 30.825 -10.016 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -22.579 31.396 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -20.757 31.892 -10.062 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -21.457 33.379 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.994 33.036 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -22.364 33.893 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -22.512 32.277 -8.166 1.00 0.00 H new ATOM 770 N ALA B 30 -28.962 31.965 -11.818 1.00 0.00 N ATOM 771 CA ALA B 30 -30.174 31.490 -12.505 1.00 0.00 C ATOM 772 C ALA B 30 -31.304 32.547 -12.435 1.00 0.00 C ATOM 773 O ALA B 30 -31.520 33.139 -11.348 1.00 0.00 O ATOM 774 CB ALA B 30 -30.607 30.165 -11.874 1.00 0.00 C ATOM 775 OXT ALA B 30 -31.934 32.817 -13.485 1.00 0.00 O ATOM 0 H ALA B 30 -29.195 32.460 -10.957 1.00 0.00 H new ATOM 0 HA ALA B 30 -29.958 31.331 -13.561 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -31.505 29.800 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -29.808 29.432 -11.983 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -30.817 30.318 -10.815 1.00 0.00 H new TER 781 ALA B 30