USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 5 GLN : amide:sc= -0.0113 X(o=-0.0028,f=-0.24) USER MOD Set 1.2: A 19 TYR OH : rot 150:sc= 0.00842 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.23 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00562 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.152 K(o=-0.15,f=-5.7!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.65) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.929 K(o=0.93,f=-4.2!) 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) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.032 0.991 -0.454 1.00 25.00 N ATOM 2 CA GLY A 1 2.751 0.549 -1.664 1.00 25.00 C ATOM 3 C GLY A 1 1.955 0.397 -2.986 1.00 25.00 C ATOM 4 O GLY A 1 0.809 0.801 -3.073 1.00 25.00 O ATOM 0 H1 GLY A 1 2.696 1.044 0.344 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.615 1.929 -0.621 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.277 0.311 -0.231 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.561 1.256 -1.845 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.212 -0.414 -1.442 1.00 25.00 H new ATOM 9 N ILE A 2 2.582 -0.190 -4.050 1.00 25.00 N ATOM 10 CA ILE A 2 1.931 -0.228 -5.397 1.00 25.00 C ATOM 11 C ILE A 2 0.599 -0.979 -5.337 1.00 25.00 C ATOM 12 O ILE A 2 -0.393 -0.498 -5.870 1.00 25.00 O ATOM 13 CB ILE A 2 2.850 -0.985 -6.424 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.346 -0.593 -6.263 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.381 -0.704 -7.953 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.294 -1.480 -7.055 1.00 25.00 C ATOM 0 H ILE A 2 3.502 -0.628 -4.007 1.00 25.00 H new ATOM 0 HA ILE A 2 1.769 0.804 -5.709 1.00 25.00 H new ATOM 0 HB ILE A 2 2.746 -2.048 -6.207 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.479 0.441 -6.580 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.614 -0.640 -5.207 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.036 -1.241 -8.639 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.355 -1.047 -8.088 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.437 0.365 -8.160 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.320 -1.149 -6.896 1.00 25.00 H new ATOM 0 HD12 ILE A 2 5.190 -2.513 -6.722 1.00 25.00 H new ATOM 0 HD13 ILE A 2 5.052 -1.415 -8.116 1.00 25.00 H new ATOM 28 N VAL A 3 0.570 -2.070 -4.618 1.00 25.00 N ATOM 29 CA VAL A 3 -0.630 -2.832 -4.470 1.00 25.00 C ATOM 30 C VAL A 3 -1.692 -1.967 -3.797 1.00 25.00 C ATOM 31 O VAL A 3 -2.780 -1.827 -4.367 1.00 25.00 O ATOM 32 CB VAL A 3 -0.385 -4.104 -3.615 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.699 -4.899 -3.472 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.705 -4.989 -4.221 1.00 25.00 C ATOM 0 H VAL A 3 1.377 -2.450 -4.123 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.966 -3.144 -5.459 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.043 -3.787 -2.630 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.521 -5.791 -2.871 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.450 -4.277 -2.985 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -2.056 -5.192 -4.459 1.00 25.00 H new ATOM 0 HG21 VAL A 3 0.849 -5.870 -3.595 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.406 -5.300 -5.222 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.638 -4.429 -4.279 1.00 25.00 H new ATOM 44 N GLU A 4 -1.383 -1.396 -2.642 1.00 25.00 N ATOM 45 CA GLU A 4 -2.397 -0.660 -1.863 1.00 25.00 C ATOM 46 C GLU A 4 -2.897 0.555 -2.635 1.00 25.00 C ATOM 47 O GLU A 4 -4.096 0.794 -2.660 1.00 25.00 O ATOM 48 CB GLU A 4 -1.901 -0.254 -0.489 1.00 25.00 C ATOM 49 CG GLU A 4 -2.132 -1.288 0.598 1.00 25.00 C ATOM 50 CD GLU A 4 -1.686 -0.794 1.984 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.550 -0.694 2.321 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.658 -0.554 2.799 1.00 25.00 O ATOM 0 H GLU A 4 -0.455 -1.421 -2.219 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.229 -1.347 -1.707 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.833 -0.043 -0.550 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.393 0.674 -0.199 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.191 -1.546 0.631 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -1.589 -2.200 0.349 1.00 25.00 H new ATOM 60 N GLN A 5 -2.002 1.317 -3.255 1.00 25.00 N ATOM 61 CA GLN A 5 -2.400 2.542 -3.910 1.00 25.00 C ATOM 62 C GLN A 5 -3.271 2.282 -5.139 1.00 25.00 C ATOM 63 O GLN A 5 -4.190 3.053 -5.397 1.00 25.00 O ATOM 64 CB GLN A 5 -1.151 3.384 -4.265 1.00 25.00 C ATOM 65 CG GLN A 5 -0.317 2.919 -5.457 1.00 25.00 C ATOM 66 CD GLN A 5 0.942 3.649 -5.610 1.00 25.00 C ATOM 67 OE1 GLN A 5 1.683 3.834 -4.664 1.00 25.00 O ATOM 68 NE2 GLN A 5 1.234 4.039 -6.809 1.00 25.00 N ATOM 0 H GLN A 5 -1.006 1.104 -3.314 1.00 25.00 H new ATOM 0 HA GLN A 5 -3.016 3.111 -3.213 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.475 4.407 -4.457 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.503 3.414 -3.389 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.100 1.857 -5.346 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.906 3.031 -6.368 1.00 25.00 H new ATOM 0 HE21 GLN A 5 0.584 3.864 -7.575 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.115 4.522 -6.988 1.00 25.00 H new ATOM 77 N CYS A 6 -3.012 1.213 -5.877 1.00 25.00 N ATOM 78 CA CYS A 6 -3.833 0.870 -7.048 1.00 25.00 C ATOM 79 C CYS A 6 -5.138 0.122 -6.690 1.00 25.00 C ATOM 80 O CYS A 6 -6.085 0.081 -7.469 1.00 25.00 O ATOM 81 CB CYS A 6 -3.017 0.024 -8.003 1.00 25.00 C ATOM 82 SG CYS A 6 -1.629 0.926 -8.785 1.00 25.00 S ATOM 0 H CYS A 6 -2.245 0.565 -5.694 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.128 1.812 -7.510 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.621 -0.837 -7.464 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.673 -0.362 -8.783 1.00 25.00 H new ATOM 87 N CYS A 7 -5.210 -0.507 -5.523 1.00 25.00 N ATOM 88 CA CYS A 7 -6.433 -1.240 -5.185 1.00 25.00 C ATOM 89 C CYS A 7 -7.456 -0.283 -4.637 1.00 25.00 C ATOM 90 O CYS A 7 -8.624 -0.330 -4.966 1.00 25.00 O ATOM 91 CB CYS A 7 -6.145 -2.310 -4.131 1.00 25.00 C ATOM 92 SG CYS A 7 -5.149 -3.699 -4.793 1.00 25.00 S ATOM 0 H CYS A 7 -4.473 -0.529 -4.819 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.809 -1.720 -6.089 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.617 -1.856 -3.292 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.088 -2.696 -3.743 1.00 25.00 H new ATOM 97 N THR A 8 -7.025 0.654 -3.807 1.00 25.00 N ATOM 98 CA THR A 8 -7.935 1.571 -3.164 1.00 25.00 C ATOM 99 C THR A 8 -8.275 2.774 -4.057 1.00 25.00 C ATOM 100 O THR A 8 -9.264 3.445 -3.791 1.00 25.00 O ATOM 101 CB THR A 8 -7.304 2.012 -1.819 1.00 25.00 C ATOM 102 OG1 THR A 8 -8.370 2.437 -0.940 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.340 3.123 -1.975 1.00 25.00 C ATOM 0 H THR A 8 -6.044 0.795 -3.566 1.00 25.00 H new ATOM 0 HA THR A 8 -8.884 1.068 -2.979 1.00 25.00 H new ATOM 0 HB THR A 8 -6.754 1.164 -1.412 1.00 25.00 H new ATOM 0 HG1 THR A 8 -7.993 2.719 -0.081 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.931 3.389 -1.000 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.531 2.813 -2.636 1.00 25.00 H new ATOM 0 HG23 THR A 8 -6.847 3.987 -2.404 1.00 25.00 H new ATOM 111 N SER A 9 -7.516 3.035 -5.108 1.00 25.00 N ATOM 112 CA SER A 9 -7.791 4.191 -5.974 1.00 25.00 C ATOM 113 C SER A 9 -7.397 3.896 -7.422 1.00 25.00 C ATOM 114 O SER A 9 -6.664 2.954 -7.663 1.00 25.00 O ATOM 115 CB SER A 9 -7.066 5.396 -5.407 1.00 25.00 C ATOM 116 OG SER A 9 -7.479 5.669 -4.073 1.00 25.00 O ATOM 0 H SER A 9 -6.711 2.475 -5.388 1.00 25.00 H new ATOM 0 HA SER A 9 -8.860 4.405 -5.993 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.991 5.219 -5.428 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.258 6.266 -6.034 1.00 25.00 H new ATOM 0 HG SER A 9 -6.994 6.450 -3.734 1.00 25.00 H new ATOM 122 N ILE A 10 -7.877 4.660 -8.382 1.00 25.00 N ATOM 123 CA ILE A 10 -7.443 4.436 -9.746 1.00 25.00 C ATOM 124 C ILE A 10 -5.996 4.928 -9.794 1.00 25.00 C ATOM 125 O ILE A 10 -5.675 6.043 -9.419 1.00 25.00 O ATOM 126 CB ILE A 10 -8.309 5.178 -10.820 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.735 4.633 -10.835 1.00 25.00 C ATOM 128 CG2 ILE A 10 -7.719 4.939 -12.232 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.719 5.408 -9.987 1.00 25.00 C ATOM 0 H ILE A 10 -8.547 5.418 -8.251 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.547 3.380 -9.996 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.309 6.238 -10.566 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.094 4.622 -11.864 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -9.717 3.598 -10.492 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.327 5.458 -12.973 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.698 5.319 -12.269 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.716 3.871 -12.449 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.704 4.947 -10.060 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.390 5.399 -8.948 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.773 6.437 -10.341 1.00 25.00 H new ATOM 141 N CYS A 11 -5.137 4.080 -10.368 1.00 25.00 N ATOM 142 CA CYS A 11 -3.735 4.374 -10.665 1.00 25.00 C ATOM 143 C CYS A 11 -3.582 4.040 -12.156 1.00 25.00 C ATOM 144 O CYS A 11 -4.434 3.404 -12.731 1.00 25.00 O ATOM 145 CB CYS A 11 -2.775 3.571 -9.773 1.00 25.00 C ATOM 146 SG CYS A 11 -2.514 1.901 -10.364 1.00 25.00 S ATOM 0 H CYS A 11 -5.410 3.138 -10.648 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.477 5.413 -10.458 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.816 4.087 -9.721 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.173 3.535 -8.759 1.00 25.00 H new ATOM 151 N SER A 12 -2.514 4.515 -12.788 1.00 25.00 N ATOM 152 CA SER A 12 -2.372 4.347 -14.247 1.00 25.00 C ATOM 153 C SER A 12 -0.973 3.972 -14.732 1.00 25.00 C ATOM 154 O SER A 12 0.034 3.973 -13.967 1.00 25.00 O ATOM 155 CB SER A 12 -2.834 5.602 -14.964 1.00 25.00 C ATOM 156 OG SER A 12 -3.831 6.266 -14.243 1.00 25.00 O ATOM 0 H SER A 12 -1.746 5.009 -12.335 1.00 25.00 H new ATOM 0 HA SER A 12 -3.004 3.493 -14.491 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.986 6.270 -15.114 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.212 5.340 -15.952 1.00 25.00 H new ATOM 0 HG SER A 12 -4.106 7.071 -14.730 1.00 25.00 H new ATOM 162 N LEU A 13 -0.919 3.608 -15.983 1.00 25.00 N ATOM 163 CA LEU A 13 0.250 3.000 -16.616 1.00 25.00 C ATOM 164 C LEU A 13 1.445 3.882 -16.561 1.00 25.00 C ATOM 165 O LEU A 13 2.634 3.364 -16.301 1.00 25.00 O ATOM 166 CB LEU A 13 -0.022 2.622 -18.084 1.00 25.00 C ATOM 167 CG LEU A 13 -1.099 1.464 -18.259 1.00 25.00 C ATOM 168 CD1 LEU A 13 -0.785 0.272 -17.356 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.528 1.959 -18.110 1.00 25.00 C ATOM 0 H LEU A 13 -1.705 3.724 -16.622 1.00 25.00 H new ATOM 0 HA LEU A 13 0.454 2.095 -16.044 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.364 3.507 -18.620 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.913 2.309 -18.548 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.024 1.112 -19.288 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.539 -0.502 -17.499 1.00 25.00 H new ATOM 0 HD12 LEU A 13 0.197 -0.127 -17.609 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.789 0.594 -16.315 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -3.217 1.125 -18.240 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -2.662 2.390 -17.118 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -2.731 2.718 -18.866 1.00 25.00 H new ATOM 181 N TYR A 14 1.271 5.199 -16.740 1.00 25.00 N ATOM 182 CA TYR A 14 2.315 6.182 -16.615 1.00 25.00 C ATOM 183 C TYR A 14 3.046 6.047 -15.288 1.00 25.00 C ATOM 184 O TYR A 14 4.238 5.919 -15.201 1.00 25.00 O ATOM 185 CB TYR A 14 1.780 7.636 -16.854 1.00 25.00 C ATOM 186 CG TYR A 14 2.930 8.596 -16.854 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.719 8.757 -17.944 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.177 9.312 -15.735 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.764 9.616 -17.999 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.368 10.323 -15.641 1.00 25.00 C ATOM 191 CZ TYR A 14 5.140 10.374 -16.973 1.00 25.00 C ATOM 192 OH TYR A 14 6.135 11.241 -17.095 1.00 25.00 O ATOM 0 H TYR A 14 0.367 5.604 -16.982 1.00 25.00 H new ATOM 0 HA TYR A 14 3.044 5.988 -17.402 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.249 7.688 -17.804 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.067 7.906 -16.075 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.501 8.165 -18.821 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.532 9.183 -14.878 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.320 9.689 -18.922 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.614 10.904 -14.764 1.00 25.00 H new ATOM 0 HH TYR A 14 6.269 11.708 -16.244 1.00 25.00 H new ATOM 202 N GLN A 15 2.278 5.993 -14.198 1.00 25.00 N ATOM 203 CA GLN A 15 2.855 5.814 -12.872 1.00 25.00 C ATOM 204 C GLN A 15 3.453 4.400 -12.714 1.00 25.00 C ATOM 205 O GLN A 15 4.494 4.273 -12.156 1.00 25.00 O ATOM 206 CB GLN A 15 1.777 6.052 -11.800 1.00 25.00 C ATOM 207 CG GLN A 15 1.158 7.422 -11.823 1.00 25.00 C ATOM 208 CD GLN A 15 -0.254 7.403 -12.356 1.00 25.00 C ATOM 209 OE1 GLN A 15 -0.459 7.159 -13.530 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.206 7.652 -11.533 1.00 25.00 N ATOM 0 H GLN A 15 1.261 6.071 -14.211 1.00 25.00 H new ATOM 0 HA GLN A 15 3.659 6.539 -12.746 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.989 5.310 -11.926 1.00 25.00 H new ATOM 0 HB3 GLN A 15 2.218 5.884 -10.817 1.00 25.00 H new ATOM 0 HG2 GLN A 15 1.158 7.835 -10.814 1.00 25.00 H new ATOM 0 HG3 GLN A 15 1.768 8.084 -12.438 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.996 7.852 -10.555 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.173 7.650 -11.856 1.00 25.00 H new ATOM 219 N LEU A 16 2.821 3.359 -13.267 1.00 25.00 N ATOM 220 CA LEU A 16 3.330 1.980 -13.188 1.00 25.00 C ATOM 221 C LEU A 16 4.768 1.811 -13.761 1.00 25.00 C ATOM 222 O LEU A 16 5.579 1.043 -13.220 1.00 25.00 O ATOM 223 CB LEU A 16 2.325 1.024 -13.855 1.00 25.00 C ATOM 224 CG LEU A 16 1.501 0.115 -12.897 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.562 0.869 -11.931 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.623 -0.842 -13.775 1.00 25.00 C ATOM 0 H LEU A 16 1.944 3.445 -13.781 1.00 25.00 H new ATOM 0 HA LEU A 16 3.423 1.724 -12.132 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.629 1.618 -14.447 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.870 0.385 -14.550 1.00 25.00 H new ATOM 0 HG LEU A 16 2.226 -0.409 -12.274 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.032 0.151 -11.305 1.00 25.00 H new ATOM 0 HD12 LEU A 16 1.149 1.537 -11.300 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.158 1.452 -12.505 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.034 -1.492 -13.128 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -0.045 -0.251 -14.401 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.269 -1.450 -14.408 1.00 25.00 H new ATOM 238 N GLU A 17 5.053 2.556 -14.808 1.00 25.00 N ATOM 239 CA GLU A 17 6.372 2.555 -15.396 1.00 25.00 C ATOM 240 C GLU A 17 7.419 2.987 -14.400 1.00 25.00 C ATOM 241 O GLU A 17 8.537 2.500 -14.405 1.00 25.00 O ATOM 242 CB GLU A 17 6.429 3.456 -16.649 1.00 25.00 C ATOM 243 CG GLU A 17 5.902 2.740 -17.844 1.00 25.00 C ATOM 244 CD GLU A 17 6.389 3.343 -19.163 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.807 4.452 -19.304 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.211 2.544 -20.186 1.00 25.00 O ATOM 0 H GLU A 17 4.384 3.172 -15.270 1.00 25.00 H new ATOM 0 HA GLU A 17 6.587 1.530 -15.698 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.847 4.362 -16.477 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.458 3.767 -16.831 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.203 1.693 -17.796 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.812 2.760 -17.822 1.00 25.00 H new ATOM 254 N ASN A 18 7.061 3.869 -13.442 1.00 25.00 N ATOM 255 CA ASN A 18 8.078 4.326 -12.481 1.00 25.00 C ATOM 256 C ASN A 18 8.520 3.270 -11.485 1.00 25.00 C ATOM 257 O ASN A 18 9.465 3.485 -10.790 1.00 25.00 O ATOM 258 CB ASN A 18 7.626 5.553 -11.710 1.00 25.00 C ATOM 259 CG ASN A 18 7.463 6.779 -12.589 1.00 25.00 C ATOM 260 OD1 ASN A 18 8.241 7.027 -13.486 1.00 25.00 O ATOM 261 ND2 ASN A 18 6.511 7.587 -12.282 1.00 25.00 N ATOM 0 H ASN A 18 6.127 4.259 -13.318 1.00 25.00 H new ATOM 0 HA ASN A 18 8.935 4.569 -13.109 1.00 25.00 H new ATOM 0 HB2 ASN A 18 6.678 5.337 -11.218 1.00 25.00 H new ATOM 0 HB3 ASN A 18 8.351 5.769 -10.925 1.00 25.00 H new ATOM 0 HD21 ASN A 18 6.397 8.460 -12.797 1.00 25.00 H new ATOM 0 HD22 ASN A 18 5.870 7.355 -11.523 1.00 25.00 H new ATOM 268 N TYR A 19 7.844 2.108 -11.432 1.00 25.00 N ATOM 269 CA TYR A 19 8.205 1.010 -10.549 1.00 25.00 C ATOM 270 C TYR A 19 8.988 -0.066 -11.330 1.00 25.00 C ATOM 271 O TYR A 19 9.275 -1.159 -10.812 1.00 25.00 O ATOM 272 CB TYR A 19 6.944 0.408 -9.953 1.00 25.00 C ATOM 273 CG TYR A 19 6.192 1.427 -9.078 1.00 25.00 C ATOM 274 CD1 TYR A 19 6.660 1.698 -7.753 1.00 25.00 C ATOM 275 CD2 TYR A 19 5.109 2.164 -9.584 1.00 25.00 C ATOM 276 CE1 TYR A 19 6.076 2.727 -7.006 1.00 25.00 C ATOM 277 CE2 TYR A 19 4.515 3.221 -8.844 1.00 25.00 C ATOM 278 CZ TYR A 19 5.009 3.480 -7.538 1.00 25.00 C ATOM 279 OH TYR A 19 4.450 4.518 -6.808 1.00 25.00 O ATOM 0 H TYR A 19 7.026 1.914 -12.010 1.00 25.00 H new ATOM 0 HA TYR A 19 8.840 1.387 -9.747 1.00 25.00 H new ATOM 0 HB2 TYR A 19 6.291 0.062 -10.754 1.00 25.00 H new ATOM 0 HB3 TYR A 19 7.204 -0.465 -9.355 1.00 25.00 H new ATOM 0 HD1 TYR A 19 7.462 1.110 -7.331 1.00 25.00 H new ATOM 0 HD2 TYR A 19 4.718 1.921 -10.561 1.00 25.00 H new ATOM 0 HE1 TYR A 19 6.445 2.946 -6.015 1.00 25.00 H new ATOM 0 HE2 TYR A 19 3.712 3.810 -9.262 1.00 25.00 H new ATOM 0 HH TYR A 19 4.108 5.202 -7.421 1.00 25.00 H new ATOM 289 N CYS A 20 9.321 0.275 -12.561 1.00 25.00 N ATOM 290 CA CYS A 20 9.961 -0.613 -13.510 1.00 25.00 C ATOM 291 C CYS A 20 10.694 0.289 -14.511 1.00 25.00 C ATOM 292 O CYS A 20 11.175 1.348 -14.128 1.00 25.00 O ATOM 293 CB CYS A 20 8.903 -1.505 -14.214 1.00 25.00 C ATOM 294 SG CYS A 20 9.552 -3.089 -14.903 1.00 25.00 S ATOM 0 H CYS A 20 9.148 1.207 -12.938 1.00 25.00 H new ATOM 0 HA CYS A 20 10.660 -1.292 -13.021 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.111 -1.734 -13.501 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.448 -0.933 -15.023 1.00 25.00 H new ATOM 299 N ASN A 21 10.654 -0.053 -15.813 1.00 25.00 N ATOM 300 CA ASN A 21 11.247 0.833 -16.863 1.00 25.00 C ATOM 301 C ASN A 21 10.157 1.812 -17.339 1.00 25.00 C ATOM 302 O ASN A 21 9.116 1.453 -17.841 1.00 25.00 O ATOM 303 CB ASN A 21 11.787 0.102 -18.077 1.00 25.00 C ATOM 304 CG ASN A 21 12.250 1.045 -19.149 1.00 25.00 C ATOM 305 OD1 ASN A 21 12.845 2.042 -18.937 1.00 25.00 O ATOM 306 ND2 ASN A 21 11.994 0.709 -20.430 1.00 25.00 N ATOM 307 OXT ASN A 21 10.474 3.085 -17.305 1.00 25.00 O ATOM 0 H ASN A 21 10.232 -0.911 -16.168 1.00 25.00 H new ATOM 0 HA ASN A 21 12.098 1.332 -16.399 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.617 -0.537 -17.775 1.00 25.00 H new ATOM 0 HB3 ASN A 21 11.013 -0.551 -18.480 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.313 1.311 -21.189 1.00 25.00 H new ATOM 0 HD22 ASN A 21 11.482 -0.148 -20.640 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -6.852 -0.005 -22.560 1.00 25.00 N ATOM 317 CA PHE B 1 -7.023 -0.064 -21.100 1.00 25.00 C ATOM 318 C PHE B 1 -8.190 0.781 -20.608 1.00 25.00 C ATOM 319 O PHE B 1 -8.640 1.650 -21.307 1.00 25.00 O ATOM 320 CB PHE B 1 -5.770 0.413 -20.427 1.00 25.00 C ATOM 321 CG PHE B 1 -5.340 -0.516 -19.330 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.517 -1.616 -19.597 1.00 25.00 C ATOM 323 CD2 PHE B 1 -5.700 -0.300 -17.989 1.00 25.00 C ATOM 324 CE1 PHE B 1 -4.064 -2.463 -18.611 1.00 25.00 C ATOM 325 CE2 PHE B 1 -5.292 -1.177 -16.991 1.00 25.00 C ATOM 326 CZ PHE B 1 -4.483 -2.237 -17.301 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.044 -0.598 -22.839 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.715 -0.354 -23.025 1.00 25.00 H new ATOM 0 H3 PHE B 1 -6.676 0.978 -22.849 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.234 -1.104 -20.849 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.972 0.500 -21.164 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.934 1.409 -20.016 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.225 -1.808 -20.619 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.302 0.559 -17.730 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.401 -3.282 -18.847 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -5.613 -1.022 -15.971 1.00 25.00 H new ATOM 0 HZ PHE B 1 -4.164 -2.909 -16.518 1.00 25.00 H new ATOM 337 N VAL B 2 -8.659 0.528 -19.376 1.00 25.00 N ATOM 338 CA VAL B 2 -9.782 1.257 -18.769 1.00 25.00 C ATOM 339 C VAL B 2 -9.348 1.857 -17.408 1.00 25.00 C ATOM 340 O VAL B 2 -8.566 1.258 -16.644 1.00 25.00 O ATOM 341 CB VAL B 2 -11.044 0.295 -18.617 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.745 -0.912 -17.720 1.00 25.00 C ATOM 343 CG2 VAL B 2 -12.279 1.070 -18.112 1.00 25.00 C ATOM 0 H VAL B 2 -8.267 -0.193 -18.770 1.00 25.00 H new ATOM 0 HA VAL B 2 -10.074 2.082 -19.419 1.00 25.00 H new ATOM 0 HB VAL B 2 -11.271 -0.092 -19.610 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -11.633 -1.539 -17.646 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.927 -1.491 -18.149 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.461 -0.565 -16.726 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -13.124 0.387 -18.018 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -12.059 1.511 -17.140 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -12.528 1.860 -18.821 1.00 25.00 H new ATOM 353 N ASN B 3 -9.843 3.035 -17.086 1.00 25.00 N ATOM 354 CA ASN B 3 -9.403 3.727 -15.867 1.00 25.00 C ATOM 355 C ASN B 3 -10.230 3.228 -14.688 1.00 25.00 C ATOM 356 O ASN B 3 -11.213 3.859 -14.355 1.00 25.00 O ATOM 357 CB ASN B 3 -9.539 5.249 -15.989 1.00 25.00 C ATOM 358 CG ASN B 3 -8.471 5.883 -16.882 1.00 25.00 C ATOM 359 OD1 ASN B 3 -7.322 5.504 -16.885 1.00 25.00 O ATOM 360 ND2 ASN B 3 -8.870 6.907 -17.589 1.00 25.00 N ATOM 0 H ASN B 3 -10.541 3.537 -17.635 1.00 25.00 H new ATOM 0 HA ASN B 3 -8.347 3.506 -15.713 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -10.525 5.488 -16.388 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -9.482 5.693 -14.995 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.204 7.417 -18.169 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.848 7.197 -17.560 1.00 25.00 H new ATOM 367 N GLN B 4 -9.834 2.104 -14.089 1.00 25.00 N ATOM 368 CA GLN B 4 -10.517 1.567 -12.911 1.00 25.00 C ATOM 369 C GLN B 4 -9.433 1.163 -11.939 1.00 25.00 C ATOM 370 O GLN B 4 -8.277 1.454 -12.153 1.00 25.00 O ATOM 371 CB GLN B 4 -11.428 0.396 -13.289 1.00 25.00 C ATOM 372 CG GLN B 4 -12.817 0.814 -13.830 1.00 25.00 C ATOM 373 CD GLN B 4 -13.803 -0.372 -13.839 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.986 -1.029 -14.842 1.00 25.00 O ATOM 375 NE2 GLN B 4 -14.408 -0.682 -12.707 1.00 25.00 N ATOM 0 H GLN B 4 -9.040 1.546 -14.402 1.00 25.00 H new ATOM 0 HA GLN B 4 -11.173 2.309 -12.456 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.926 -0.210 -14.043 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -11.568 -0.237 -12.413 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -13.220 1.619 -13.215 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -12.711 1.208 -14.841 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -14.245 -0.121 -11.871 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -15.039 -1.483 -12.668 1.00 25.00 H new ATOM 384 N HIS B 5 -9.842 0.639 -10.778 1.00 25.00 N ATOM 385 CA HIS B 5 -8.855 0.261 -9.790 1.00 25.00 C ATOM 386 C HIS B 5 -8.120 -0.971 -10.343 1.00 25.00 C ATOM 387 O HIS B 5 -8.674 -1.773 -11.082 1.00 25.00 O ATOM 388 CB HIS B 5 -9.501 -0.108 -8.464 1.00 25.00 C ATOM 389 CG HIS B 5 -10.246 1.011 -7.798 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.326 1.178 -6.432 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.014 2.029 -8.314 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.031 2.239 -6.155 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.473 2.756 -7.269 1.00 25.00 N ATOM 0 H HIS B 5 -10.814 0.476 -10.515 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.182 1.099 -9.608 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.189 -0.937 -8.629 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.727 -0.466 -7.785 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.897 0.563 -5.741 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -11.214 2.214 -9.359 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.219 2.627 -5.165 1.00 25.00 H new ATOM 402 N LEU B 6 -6.880 -1.162 -9.903 1.00 25.00 N ATOM 403 CA LEU B 6 -6.095 -2.322 -10.315 1.00 25.00 C ATOM 404 C LEU B 6 -5.657 -3.108 -9.055 1.00 25.00 C ATOM 405 O LEU B 6 -4.828 -2.639 -8.270 1.00 25.00 O ATOM 406 CB LEU B 6 -4.847 -1.933 -11.161 1.00 25.00 C ATOM 407 CG LEU B 6 -5.054 -1.362 -12.569 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.273 0.127 -12.622 1.00 25.00 C ATOM 409 CD2 LEU B 6 -3.832 -1.699 -13.439 1.00 25.00 C ATOM 0 H LEU B 6 -6.398 -0.531 -9.263 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.726 -2.941 -10.953 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.277 -1.201 -10.589 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.222 -2.821 -11.254 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.969 -1.825 -12.939 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -5.410 0.438 -13.658 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -6.161 0.385 -12.046 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.407 0.637 -12.201 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -3.976 -1.294 -14.441 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -2.938 -1.261 -12.996 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.715 -2.781 -13.498 1.00 25.00 H new ATOM 421 N CYS B 7 -6.191 -4.315 -8.907 1.00 25.00 N ATOM 422 CA CYS B 7 -5.895 -5.169 -7.777 1.00 25.00 C ATOM 423 C CYS B 7 -5.650 -6.613 -8.215 1.00 25.00 C ATOM 424 O CYS B 7 -5.669 -6.941 -9.412 1.00 25.00 O ATOM 425 CB CYS B 7 -7.055 -5.078 -6.746 1.00 25.00 C ATOM 426 SG CYS B 7 -6.505 -5.185 -5.024 1.00 25.00 S ATOM 0 H CYS B 7 -6.844 -4.725 -9.574 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.974 -4.824 -7.306 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.586 -4.137 -6.891 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -7.767 -5.879 -6.942 1.00 25.00 H new HETATM 431 N AIB B 8 -5.384 -7.465 -7.195 1.00 25.00 N HETATM 432 CA AIB B 8 -5.101 -8.904 -7.317 1.00 25.00 C HETATM 433 C AIB B 8 -3.909 -9.216 -8.361 1.00 25.00 C HETATM 434 O AIB B 8 -2.953 -8.476 -8.515 1.00 25.00 O HETATM 435 CB1 AIB B 8 -6.424 -9.639 -7.755 1.00 25.00 C HETATM 436 CB2 AIB B 8 -4.742 -9.431 -5.910 1.00 25.00 C HETATM 0 H AIB B 8 -5.361 -7.148 -6.226 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -6.232 -10.708 -7.850 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -7.197 -9.475 -7.004 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -6.759 -9.244 -8.714 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -4.526 -10.498 -5.965 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -3.865 -8.902 -5.536 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -5.581 -9.265 -5.234 1.00 25.00 H new ATOM 444 N SER B 9 -4.049 -10.313 -9.109 1.00 25.00 N ATOM 445 CA SER B 9 -3.019 -10.799 -10.053 1.00 25.00 C ATOM 446 C SER B 9 -3.074 -9.891 -11.281 1.00 25.00 C ATOM 447 O SER B 9 -2.095 -9.791 -12.004 1.00 25.00 O ATOM 448 CB SER B 9 -3.273 -12.282 -10.364 1.00 25.00 C ATOM 449 OG SER B 9 -2.167 -12.816 -11.076 1.00 25.00 O ATOM 0 H SER B 9 -4.884 -10.899 -9.082 1.00 25.00 H new ATOM 0 HA SER B 9 -2.011 -10.751 -9.640 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.425 -12.837 -9.438 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.184 -12.390 -10.953 1.00 25.00 H new ATOM 0 HG SER B 9 -2.330 -13.762 -11.272 1.00 25.00 H new ATOM 455 N HIS B 10 -4.190 -9.236 -11.458 1.00 25.00 N ATOM 456 CA HIS B 10 -4.382 -8.277 -12.579 1.00 25.00 C ATOM 457 C HIS B 10 -3.453 -7.075 -12.505 1.00 25.00 C ATOM 458 O HIS B 10 -2.943 -6.638 -13.526 1.00 25.00 O ATOM 459 CB HIS B 10 -5.850 -7.789 -12.604 1.00 25.00 C ATOM 460 CG HIS B 10 -6.565 -8.130 -13.838 1.00 25.00 C ATOM 461 ND1 HIS B 10 -6.572 -7.317 -14.990 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.370 -9.166 -14.160 1.00 25.00 C ATOM 463 CE1 HIS B 10 -7.303 -7.892 -15.933 1.00 25.00 C ATOM 464 NE2 HIS B 10 -7.837 -8.996 -15.433 1.00 25.00 N ATOM 0 H HIS B 10 -5.003 -9.332 -10.849 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.138 -8.815 -13.495 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.381 -8.221 -11.756 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.866 -6.707 -12.473 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.607 -9.998 -13.513 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.440 -7.523 -16.939 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.487 -9.615 -15.917 1.00 25.00 H new ATOM 473 N LEU B 11 -3.133 -6.615 -11.287 1.00 25.00 N ATOM 474 CA LEU B 11 -2.186 -5.481 -11.103 1.00 25.00 C ATOM 475 C LEU B 11 -0.785 -6.030 -11.434 1.00 25.00 C ATOM 476 O LEU B 11 0.036 -5.323 -12.012 1.00 25.00 O ATOM 477 CB LEU B 11 -2.251 -4.977 -9.634 1.00 25.00 C ATOM 478 CG LEU B 11 -1.349 -3.793 -9.136 1.00 25.00 C ATOM 479 CD1 LEU B 11 0.011 -4.235 -8.610 1.00 25.00 C ATOM 480 CD2 LEU B 11 -1.147 -2.668 -10.177 1.00 25.00 C ATOM 0 H LEU B 11 -3.505 -6.998 -10.418 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.432 -4.637 -11.748 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.285 -4.691 -9.442 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -2.033 -5.833 -8.995 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.926 -3.386 -8.306 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.577 -3.362 -8.285 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -0.127 -4.912 -7.767 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.558 -4.747 -9.401 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.512 -1.890 -9.753 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.672 -3.078 -11.068 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -2.114 -2.242 -10.445 1.00 25.00 H new ATOM 492 N VAL B 12 -0.521 -7.280 -11.127 1.00 25.00 N ATOM 493 CA VAL B 12 0.817 -7.848 -11.399 1.00 25.00 C ATOM 494 C VAL B 12 0.994 -8.040 -12.907 1.00 25.00 C ATOM 495 O VAL B 12 2.028 -7.720 -13.482 1.00 25.00 O ATOM 496 CB VAL B 12 1.022 -9.219 -10.665 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.439 -9.745 -10.887 1.00 25.00 C ATOM 498 CG2 VAL B 12 0.750 -9.035 -9.123 1.00 25.00 C ATOM 0 H VAL B 12 -1.185 -7.925 -10.698 1.00 25.00 H new ATOM 0 HA VAL B 12 1.564 -7.150 -11.021 1.00 25.00 H new ATOM 0 HB VAL B 12 0.320 -9.945 -11.075 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.559 -10.697 -10.369 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.611 -9.888 -11.954 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.159 -9.026 -10.497 1.00 25.00 H new ATOM 0 HG21 VAL B 12 0.892 -9.987 -8.612 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.443 -8.298 -8.717 1.00 25.00 H new ATOM 0 HG23 VAL B 12 -0.274 -8.692 -8.972 1.00 25.00 H new ATOM 508 N GLU B 13 -0.046 -8.560 -13.530 1.00 25.00 N ATOM 509 CA GLU B 13 -0.012 -8.778 -14.961 1.00 25.00 C ATOM 510 C GLU B 13 0.096 -7.417 -15.690 1.00 25.00 C ATOM 511 O GLU B 13 0.797 -7.307 -16.659 1.00 25.00 O ATOM 512 CB GLU B 13 -1.254 -9.535 -15.457 1.00 25.00 C ATOM 513 CG GLU B 13 -1.080 -10.141 -16.866 1.00 25.00 C ATOM 514 CD GLU B 13 -0.156 -11.349 -16.901 1.00 25.00 C ATOM 515 OE1 GLU B 13 0.387 -11.768 -15.901 1.00 25.00 O ATOM 516 OE2 GLU B 13 -0.037 -11.887 -18.049 1.00 25.00 O ATOM 0 H GLU B 13 -0.915 -8.836 -13.073 1.00 25.00 H new ATOM 0 HA GLU B 13 0.860 -9.393 -15.184 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.489 -10.333 -14.753 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.106 -8.855 -15.465 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -2.058 -10.431 -17.251 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.688 -9.375 -17.536 1.00 25.00 H new ATOM 524 N ALA B 14 -0.560 -6.369 -15.204 1.00 25.00 N ATOM 525 CA ALA B 14 -0.498 -5.047 -15.800 1.00 25.00 C ATOM 526 C ALA B 14 0.890 -4.458 -15.741 1.00 25.00 C ATOM 527 O ALA B 14 1.402 -3.986 -16.788 1.00 25.00 O ATOM 528 CB ALA B 14 -1.494 -4.094 -15.115 1.00 25.00 C ATOM 0 H ALA B 14 -1.155 -6.418 -14.377 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.768 -5.163 -16.850 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.431 -3.109 -15.577 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.506 -4.483 -15.227 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.251 -4.014 -14.055 1.00 25.00 H new ATOM 534 N LEU B 15 1.514 -4.594 -14.602 1.00 25.00 N ATOM 535 CA LEU B 15 2.905 -4.230 -14.467 1.00 25.00 C ATOM 536 C LEU B 15 3.771 -5.051 -15.446 1.00 25.00 C ATOM 537 O LEU B 15 4.669 -4.481 -16.113 1.00 25.00 O ATOM 538 CB LEU B 15 3.405 -4.477 -13.013 1.00 25.00 C ATOM 539 CG LEU B 15 3.799 -3.220 -12.202 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.181 -3.586 -10.786 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.038 -2.441 -12.811 1.00 25.00 C ATOM 0 H LEU B 15 1.083 -4.955 -13.751 1.00 25.00 H new ATOM 0 HA LEU B 15 2.996 -3.169 -14.699 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.623 -5.005 -12.467 1.00 25.00 H new ATOM 0 HB3 LEU B 15 4.268 -5.141 -13.056 1.00 25.00 H new ATOM 0 HG LEU B 15 2.916 -2.582 -12.234 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.454 -2.684 -10.238 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.336 -4.068 -10.294 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.029 -4.270 -10.803 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.260 -1.571 -12.193 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.906 -3.100 -12.835 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.801 -2.116 -13.824 1.00 25.00 H new ATOM 553 N TYR B 16 3.548 -6.368 -15.552 1.00 25.00 N ATOM 554 CA TYR B 16 4.342 -7.189 -16.468 1.00 25.00 C ATOM 555 C TYR B 16 4.122 -6.826 -17.927 1.00 25.00 C ATOM 556 O TYR B 16 5.087 -6.763 -18.703 1.00 25.00 O ATOM 557 CB TYR B 16 4.116 -8.682 -16.198 1.00 25.00 C ATOM 558 CG TYR B 16 5.135 -9.604 -16.891 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.496 -9.657 -16.479 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.729 -10.469 -17.954 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.408 -10.553 -17.122 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.645 -11.384 -18.587 1.00 25.00 C ATOM 563 CZ TYR B 16 6.980 -11.395 -18.160 1.00 25.00 C ATOM 564 OH TYR B 16 7.886 -12.218 -18.767 1.00 25.00 O ATOM 0 H TYR B 16 2.838 -6.877 -15.025 1.00 25.00 H new ATOM 0 HA TYR B 16 5.391 -6.971 -16.269 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.156 -8.857 -15.123 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.113 -8.953 -16.528 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.842 -9.019 -15.679 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.704 -10.436 -18.293 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.440 -10.582 -16.804 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.311 -12.046 -19.372 1.00 25.00 H new ATOM 0 HH TYR B 16 7.438 -12.740 -19.465 1.00 25.00 H new ATOM 574 N LEU B 17 2.912 -6.466 -18.284 1.00 25.00 N ATOM 575 CA LEU B 17 2.611 -6.065 -19.672 1.00 25.00 C ATOM 576 C LEU B 17 3.242 -4.726 -20.043 1.00 25.00 C ATOM 577 O LEU B 17 3.744 -4.570 -21.141 1.00 25.00 O ATOM 578 CB LEU B 17 1.088 -5.962 -19.912 1.00 25.00 C ATOM 579 CG LEU B 17 0.344 -7.305 -19.885 1.00 25.00 C ATOM 580 CD1 LEU B 17 -1.137 -7.150 -19.754 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.668 -8.081 -21.207 1.00 25.00 C ATOM 0 H LEU B 17 2.113 -6.437 -17.651 1.00 25.00 H new ATOM 0 HA LEU B 17 3.038 -6.846 -20.301 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.657 -5.308 -19.154 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.917 -5.486 -20.878 1.00 25.00 H new ATOM 0 HG LEU B 17 0.684 -7.853 -19.007 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.606 -8.134 -19.741 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.367 -6.626 -18.827 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.519 -6.577 -20.599 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.147 -9.038 -21.204 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.341 -7.492 -22.064 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.742 -8.253 -21.274 1.00 25.00 H new ATOM 593 N VAL B 18 3.139 -3.752 -19.177 1.00 25.00 N ATOM 594 CA VAL B 18 3.611 -2.379 -19.487 1.00 25.00 C ATOM 595 C VAL B 18 5.132 -2.275 -19.425 1.00 25.00 C ATOM 596 O VAL B 18 5.758 -1.477 -20.170 1.00 25.00 O ATOM 597 CB VAL B 18 2.930 -1.322 -18.523 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.507 -1.354 -17.105 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.040 0.097 -19.161 1.00 25.00 C ATOM 0 H VAL B 18 2.737 -3.859 -18.246 1.00 25.00 H new ATOM 0 HA VAL B 18 3.314 -2.153 -20.511 1.00 25.00 H new ATOM 0 HB VAL B 18 1.879 -1.588 -18.413 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.002 -0.609 -16.490 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.356 -2.343 -16.673 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.574 -1.132 -17.141 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.573 0.829 -18.502 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.090 0.353 -19.301 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.534 0.102 -20.126 1.00 25.00 H new ATOM 609 N CYS B 19 5.764 -3.084 -18.566 1.00 25.00 N ATOM 610 CA CYS B 19 7.210 -3.084 -18.546 1.00 25.00 C ATOM 611 C CYS B 19 7.807 -3.965 -19.647 1.00 25.00 C ATOM 612 O CYS B 19 8.909 -3.724 -20.129 1.00 25.00 O ATOM 613 CB CYS B 19 7.723 -3.595 -17.208 1.00 25.00 C ATOM 614 SG CYS B 19 9.367 -2.929 -16.884 1.00 25.00 S ATOM 0 H CYS B 19 5.311 -3.717 -17.907 1.00 25.00 H new ATOM 0 HA CYS B 19 7.519 -2.052 -18.712 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.039 -3.302 -16.411 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.758 -4.684 -17.214 1.00 25.00 H new ATOM 619 N GLY B 20 7.152 -5.060 -19.923 1.00 25.00 N ATOM 620 CA GLY B 20 7.649 -6.074 -20.823 1.00 25.00 C ATOM 621 C GLY B 20 8.217 -7.264 -20.088 1.00 25.00 C ATOM 622 O GLY B 20 8.243 -7.339 -18.871 1.00 25.00 O ATOM 0 H GLY B 20 6.240 -5.280 -19.523 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.841 -6.405 -21.476 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.419 -5.643 -21.462 1.00 25.00 H new ATOM 626 N GLU B 21 8.793 -8.185 -20.835 1.00 25.00 N ATOM 627 CA GLU B 21 9.432 -9.396 -20.338 1.00 25.00 C ATOM 628 C GLU B 21 10.713 -9.144 -19.547 1.00 25.00 C ATOM 629 O GLU B 21 11.403 -10.115 -19.196 1.00 25.00 O ATOM 630 CB GLU B 21 9.729 -10.335 -21.511 1.00 25.00 C ATOM 631 CG GLU B 21 8.494 -10.809 -22.232 1.00 25.00 C ATOM 632 CD GLU B 21 8.803 -11.678 -23.432 1.00 25.00 C ATOM 633 OE1 GLU B 21 8.523 -11.409 -24.533 1.00 25.00 O ATOM 634 OE2 GLU B 21 9.401 -12.770 -23.136 1.00 25.00 O ATOM 0 H GLU B 21 8.832 -8.110 -21.851 1.00 25.00 H new ATOM 0 HA GLU B 21 8.728 -9.850 -19.641 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.379 -9.823 -22.220 1.00 25.00 H new ATOM 0 HB3 GLU B 21 10.279 -11.201 -21.142 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.868 -11.369 -21.537 1.00 25.00 H new ATOM 0 HG3 GLU B 21 7.916 -9.944 -22.557 1.00 25.00 H new ATOM 642 N ARG B 22 11.007 -7.858 -19.271 1.00 25.00 N ATOM 643 CA ARG B 22 12.243 -7.484 -18.576 1.00 25.00 C ATOM 644 C ARG B 22 12.123 -7.813 -17.106 1.00 25.00 C ATOM 645 O ARG B 22 13.084 -8.077 -16.421 1.00 25.00 O ATOM 646 CB ARG B 22 12.524 -5.981 -18.666 1.00 25.00 C ATOM 647 CG ARG B 22 12.988 -5.466 -20.056 1.00 25.00 C ATOM 648 CD ARG B 22 11.795 -5.253 -20.976 1.00 25.00 C ATOM 649 NE ARG B 22 12.153 -4.366 -22.097 1.00 25.00 N ATOM 650 CZ ARG B 22 12.658 -4.770 -23.260 1.00 25.00 C ATOM 651 NH1 ARG B 22 12.853 -6.024 -23.541 1.00 25.00 N ATOM 652 NH2 ARG B 22 12.933 -3.908 -24.166 1.00 25.00 N ATOM 0 H ARG B 22 10.408 -7.071 -19.518 1.00 25.00 H new ATOM 0 HA ARG B 22 13.049 -8.039 -19.056 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.619 -5.443 -18.383 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.288 -5.728 -17.931 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.535 -4.530 -19.939 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.676 -6.183 -20.504 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.451 -6.213 -21.361 1.00 25.00 H new ATOM 0 HD3 ARG B 22 10.968 -4.820 -20.413 1.00 25.00 H new ATOM 0 HE ARG B 22 12.002 -3.365 -21.972 1.00 25.00 H new ATOM 0 HH11 ARG B 22 12.616 -6.743 -22.857 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.243 -6.289 -24.446 1.00 25.00 H new ATOM 0 HH21 ARG B 22 12.765 -2.917 -23.995 1.00 25.00 H new ATOM 0 HH22 ARG B 22 13.320 -4.213 -25.059 1.00 25.00 H new ATOM 666 N GLY B 23 10.908 -7.758 -16.617 1.00 25.00 N ATOM 667 CA GLY B 23 10.636 -8.052 -15.238 1.00 25.00 C ATOM 668 C GLY B 23 10.813 -6.886 -14.307 1.00 25.00 C ATOM 669 O GLY B 23 11.284 -5.874 -14.760 1.00 25.00 O ATOM 0 H GLY B 23 10.085 -7.509 -17.165 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.613 -8.417 -15.152 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.291 -8.861 -14.916 1.00 25.00 H new ATOM 673 N PHE B 24 10.403 -7.014 -13.036 1.00 25.00 N ATOM 674 CA PHE B 24 10.585 -5.907 -12.086 1.00 25.00 C ATOM 675 C PHE B 24 11.317 -6.303 -10.827 1.00 25.00 C ATOM 676 O PHE B 24 12.176 -5.617 -10.343 1.00 25.00 O ATOM 677 CB PHE B 24 9.249 -5.309 -11.736 1.00 25.00 C ATOM 678 CG PHE B 24 8.114 -6.283 -11.792 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.787 -7.084 -10.682 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.349 -6.401 -12.962 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.757 -8.029 -10.757 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.295 -7.359 -13.027 1.00 25.00 C ATOM 683 CZ PHE B 24 6.030 -8.182 -11.926 1.00 25.00 C ATOM 0 H PHE B 24 9.956 -7.846 -12.651 1.00 25.00 H new ATOM 0 HA PHE B 24 11.213 -5.170 -12.587 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.303 -4.887 -10.733 1.00 25.00 H new ATOM 0 HB3 PHE B 24 9.041 -4.485 -12.418 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.338 -6.968 -9.760 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.558 -5.768 -13.811 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.528 -8.642 -9.898 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.702 -7.450 -13.925 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.259 -8.936 -11.988 1.00 25.00 H new ATOM 693 N PHE B 25 10.950 -7.442 -10.289 1.00 25.00 N ATOM 694 CA PHE B 25 11.554 -7.914 -9.032 1.00 25.00 C ATOM 695 C PHE B 25 11.489 -9.424 -8.947 1.00 25.00 C ATOM 696 O PHE B 25 10.690 -10.044 -9.649 1.00 25.00 O ATOM 697 CB PHE B 25 10.796 -7.320 -7.844 1.00 25.00 C ATOM 698 CG PHE B 25 11.600 -6.298 -7.072 1.00 25.00 C ATOM 699 CD1 PHE B 25 12.610 -6.729 -6.180 1.00 25.00 C ATOM 700 CD2 PHE B 25 11.357 -4.921 -7.241 1.00 25.00 C ATOM 701 CE1 PHE B 25 13.346 -5.799 -5.430 1.00 25.00 C ATOM 702 CE2 PHE B 25 12.100 -3.952 -6.533 1.00 25.00 C ATOM 703 CZ PHE B 25 13.101 -4.405 -5.585 1.00 25.00 C ATOM 0 H PHE B 25 10.245 -8.064 -10.685 1.00 25.00 H new ATOM 0 HA PHE B 25 12.597 -7.597 -9.009 1.00 25.00 H new ATOM 0 HB2 PHE B 25 9.879 -6.854 -8.204 1.00 25.00 H new ATOM 0 HB3 PHE B 25 10.502 -8.125 -7.170 1.00 25.00 H new ATOM 0 HD1 PHE B 25 12.817 -7.784 -6.075 1.00 25.00 H new ATOM 0 HD2 PHE B 25 10.586 -4.600 -7.926 1.00 25.00 H new ATOM 0 HE1 PHE B 25 14.099 -6.141 -4.735 1.00 25.00 H new ATOM 0 HE2 PHE B 25 11.928 -2.898 -6.693 1.00 25.00 H new ATOM 0 HZ PHE B 25 13.658 -3.688 -5.000 1.00 25.00 H new ATOM 713 N TYR B 26 12.353 -9.998 -8.110 1.00 25.00 N ATOM 714 CA TYR B 26 12.405 -11.435 -7.941 1.00 25.00 C ATOM 715 C TYR B 26 11.784 -11.775 -6.584 1.00 25.00 C ATOM 716 O TYR B 26 12.137 -12.768 -5.953 1.00 25.00 O ATOM 717 CB TYR B 26 13.878 -11.896 -8.034 1.00 25.00 C ATOM 718 CG TYR B 26 14.032 -13.302 -8.579 1.00 25.00 C ATOM 719 CD1 TYR B 26 12.991 -14.282 -8.462 1.00 25.00 C ATOM 720 CD2 TYR B 26 15.222 -13.687 -9.236 1.00 25.00 C ATOM 721 CE1 TYR B 26 13.128 -15.570 -9.003 1.00 25.00 C ATOM 722 CE2 TYR B 26 15.383 -15.017 -9.704 1.00 25.00 C ATOM 723 CZ TYR B 26 14.305 -15.936 -9.614 1.00 25.00 C ATOM 724 OH TYR B 26 14.487 -17.187 -10.107 1.00 25.00 O ATOM 0 H TYR B 26 13.024 -9.482 -7.541 1.00 25.00 H new ATOM 0 HA TYR B 26 11.845 -11.953 -8.719 1.00 25.00 H new ATOM 0 HB2 TYR B 26 14.429 -11.204 -8.671 1.00 25.00 H new ATOM 0 HB3 TYR B 26 14.331 -11.846 -7.044 1.00 25.00 H new ATOM 0 HD1 TYR B 26 12.079 -14.022 -7.945 1.00 25.00 H new ATOM 0 HD2 TYR B 26 16.013 -12.966 -9.383 1.00 25.00 H new ATOM 0 HE1 TYR B 26 12.310 -16.273 -8.940 1.00 25.00 H new ATOM 0 HE2 TYR B 26 16.325 -15.330 -10.129 1.00 25.00 H new ATOM 0 HH TYR B 26 15.381 -17.256 -10.503 1.00 25.00 H new ATOM 734 N THR B 27 10.840 -10.937 -6.163 1.00 25.00 N ATOM 735 CA THR B 27 10.048 -11.213 -4.994 1.00 25.00 C ATOM 736 C THR B 27 8.625 -10.782 -5.361 1.00 25.00 C ATOM 737 O THR B 27 8.417 -9.826 -6.135 1.00 25.00 O ATOM 738 CB THR B 27 10.648 -10.486 -3.743 1.00 25.00 C ATOM 739 OG1 THR B 27 9.876 -10.784 -2.600 1.00 25.00 O ATOM 740 CG2 THR B 27 10.612 -8.931 -3.885 1.00 25.00 C ATOM 0 H THR B 27 10.613 -10.057 -6.627 1.00 25.00 H new ATOM 0 HA THR B 27 10.043 -12.265 -4.709 1.00 25.00 H new ATOM 0 HB THR B 27 11.678 -10.832 -3.657 1.00 25.00 H new ATOM 0 HG1 THR B 27 10.257 -10.328 -1.820 1.00 25.00 H new ATOM 0 HG21 THR B 27 11.039 -8.474 -2.992 1.00 25.00 H new ATOM 0 HG22 THR B 27 11.192 -8.632 -4.758 1.00 25.00 H new ATOM 0 HG23 THR B 27 9.580 -8.600 -4.004 1.00 25.00 H new ATOM 748 N LYS B 28 7.666 -11.525 -4.858 1.00 25.00 N ATOM 749 CA LYS B 28 6.221 -11.217 -5.041 1.00 25.00 C ATOM 750 C LYS B 28 5.474 -11.613 -3.754 1.00 25.00 C ATOM 751 O LYS B 28 5.322 -12.817 -3.510 1.00 25.00 O ATOM 752 CB LYS B 28 5.632 -12.048 -6.179 1.00 25.00 C ATOM 753 CG LYS B 28 6.003 -11.575 -7.581 1.00 25.00 C ATOM 754 CD LYS B 28 5.396 -12.459 -8.614 1.00 25.00 C ATOM 755 CE LYS B 28 5.659 -11.941 -9.973 1.00 25.00 C ATOM 756 NZ LYS B 28 4.990 -12.806 -11.020 1.00 25.00 N ATOM 0 H LYS B 28 7.840 -12.365 -4.307 1.00 25.00 H new ATOM 0 HA LYS B 28 6.116 -10.156 -5.266 1.00 25.00 H new ATOM 0 HB2 LYS B 28 5.959 -13.081 -6.062 1.00 25.00 H new ATOM 0 HB3 LYS B 28 4.546 -12.045 -6.086 1.00 25.00 H new ATOM 0 HG2 LYS B 28 5.661 -10.550 -7.726 1.00 25.00 H new ATOM 0 HG3 LYS B 28 7.087 -11.569 -7.693 1.00 25.00 H new ATOM 0 HD2 LYS B 28 5.801 -13.466 -8.520 1.00 25.00 H new ATOM 0 HD3 LYS B 28 4.321 -12.531 -8.450 1.00 25.00 H new ATOM 0 HE2 LYS B 28 5.293 -10.917 -10.053 1.00 25.00 H new ATOM 0 HE3 LYS B 28 6.734 -11.911 -10.153 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 5.189 -12.422 -11.966 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 5.358 -13.776 -10.955 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 3.963 -12.814 -10.859 1.00 25.00 H new ATOM 770 N PRO B 29 4.850 -10.648 -3.049 1.00 25.00 N ATOM 771 CA PRO B 29 3.951 -11.053 -1.970 1.00 25.00 C ATOM 772 C PRO B 29 2.645 -11.592 -2.543 1.00 25.00 C ATOM 773 O PRO B 29 1.835 -10.883 -3.176 1.00 25.00 O ATOM 774 CB PRO B 29 3.735 -9.760 -1.186 1.00 25.00 C ATOM 775 CG PRO B 29 3.940 -8.692 -2.204 1.00 25.00 C ATOM 776 CD PRO B 29 4.930 -9.163 -3.128 1.00 25.00 C ATOM 0 HA PRO B 29 4.349 -11.853 -1.346 1.00 25.00 H new ATOM 0 HB2 PRO B 29 2.735 -9.715 -0.755 1.00 25.00 H new ATOM 0 HB3 PRO B 29 4.442 -9.669 -0.362 1.00 25.00 H new ATOM 0 HG2 PRO B 29 3.006 -8.471 -2.722 1.00 25.00 H new ATOM 0 HG3 PRO B 29 4.268 -7.767 -1.729 1.00 25.00 H new ATOM 0 HD2 PRO B 29 4.727 -8.809 -4.139 1.00 25.00 H new ATOM 0 HD3 PRO B 29 5.924 -8.806 -2.859 1.00 25.00 H new ATOM 784 N THR B 30 2.433 -12.913 -2.337 1.00 25.00 N ATOM 785 CA THR B 30 1.224 -13.519 -2.848 1.00 25.00 C ATOM 786 C THR B 30 -0.036 -13.057 -2.136 1.00 25.00 C ATOM 787 O THR B 30 -0.044 -12.762 -0.952 1.00 25.00 O ATOM 788 CB THR B 30 1.275 -15.032 -2.931 1.00 25.00 C ATOM 789 OG1 THR B 30 0.188 -15.550 -3.698 1.00 25.00 O ATOM 790 CG2 THR B 30 1.321 -15.747 -1.569 1.00 25.00 C ATOM 791 OXT THR B 30 -1.042 -12.847 -2.915 1.00 25.00 O ATOM 0 H THR B 30 3.065 -13.541 -1.840 1.00 25.00 H new ATOM 0 HA THR B 30 1.170 -13.152 -3.873 1.00 25.00 H new ATOM 0 HB THR B 30 2.221 -15.243 -3.429 1.00 25.00 H new ATOM 0 HG1 THR B 30 0.250 -16.527 -3.734 1.00 25.00 H new ATOM 0 HG21 THR B 30 1.356 -16.825 -1.725 1.00 25.00 H new ATOM 0 HG22 THR B 30 2.209 -15.431 -1.022 1.00 25.00 H new ATOM 0 HG23 THR B 30 0.431 -15.492 -0.994 1.00 25.00 H new TER 800 THR B 30