USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.024) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00259 K(o=-0.0026,f=-2.6!) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.397 F(o=-0.99,f=-0.4) USER MOD Single : A 19 TYR OH : rot -30:sc= -0.989! USER MOD Single : A 21 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.13) USER MOD Single : B 1 PHE N :NH3+ 154:sc= 0.0111 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.227 F(o=-0.85,f=-0.23) USER MOD Single : B 4 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.033) USER MOD Single : B 5 HIS : no HE2:sc= -11.7! C(o=-12!,f=-14!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -1.94 F(o=-5.2!,f=-1.9) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 63:sc= 0.85 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= 0.0073 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.473 4.293 5.250 1.00 0.00 N ATOM 2 CA GLY A 1 -5.657 3.317 4.405 1.00 0.00 C ATOM 3 C GLY A 1 -4.629 3.845 3.462 1.00 0.00 C ATOM 4 O GLY A 1 -4.531 5.036 3.238 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.139 3.762 5.848 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.833 4.849 5.853 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.003 4.934 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.153 2.635 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.360 2.722 3.822 1.00 0.00 H new ATOM 10 N ILE A 2 -3.839 2.981 2.887 1.00 0.00 N ATOM 11 CA ILE A 2 -2.790 3.447 1.935 1.00 0.00 C ATOM 12 C ILE A 2 -3.436 4.272 0.825 1.00 0.00 C ATOM 13 O ILE A 2 -2.800 5.091 0.192 1.00 0.00 O ATOM 14 CB ILE A 2 -2.073 2.239 1.327 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.074 1.104 1.107 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.975 1.767 2.279 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.006 0.640 -0.347 1.00 0.00 C ATOM 0 H ILE A 2 -3.874 1.972 3.035 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.067 4.064 2.469 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.632 2.524 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.851 0.273 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.082 1.443 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.464 0.907 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.259 2.573 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.418 1.484 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.719 -0.169 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.250 1.473 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.000 0.285 -0.569 1.00 0.00 H new ATOM 29 N VAL A 3 -4.700 4.067 0.585 1.00 0.00 N ATOM 30 CA VAL A 3 -5.387 4.846 -0.483 1.00 0.00 C ATOM 31 C VAL A 3 -5.270 6.337 -0.169 1.00 0.00 C ATOM 32 O VAL A 3 -4.566 7.068 -0.836 1.00 0.00 O ATOM 33 CB VAL A 3 -6.862 4.449 -0.536 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.481 4.958 -1.839 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.974 2.925 -0.481 1.00 0.00 C ATOM 0 H VAL A 3 -5.287 3.396 1.080 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.923 4.636 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.390 4.887 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.533 4.675 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.396 6.044 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.956 4.518 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.024 2.636 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.447 2.491 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.530 2.561 0.446 1.00 0.00 H new ATOM 45 N GLU A 4 -5.949 6.792 0.847 1.00 0.00 N ATOM 46 CA GLU A 4 -5.866 8.234 1.206 1.00 0.00 C ATOM 47 C GLU A 4 -4.550 8.492 1.939 1.00 0.00 C ATOM 48 O GLU A 4 -4.123 9.618 2.094 1.00 0.00 O ATOM 49 CB GLU A 4 -7.041 8.605 2.115 1.00 0.00 C ATOM 50 CG GLU A 4 -7.740 9.853 1.567 1.00 0.00 C ATOM 51 CD GLU A 4 -9.014 10.119 2.370 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.957 9.360 2.216 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.026 11.078 3.124 1.00 0.00 O ATOM 0 H GLU A 4 -6.556 6.229 1.443 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.907 8.840 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.746 7.776 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.685 8.790 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.073 10.713 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.984 9.713 0.514 1.00 0.00 H new ATOM 60 N GLN A 5 -3.899 7.454 2.389 1.00 0.00 N ATOM 61 CA GLN A 5 -2.608 7.640 3.108 1.00 0.00 C ATOM 62 C GLN A 5 -1.466 7.719 2.096 1.00 0.00 C ATOM 63 O GLN A 5 -0.466 8.369 2.321 1.00 0.00 O ATOM 64 CB GLN A 5 -2.375 6.461 4.056 1.00 0.00 C ATOM 65 CG GLN A 5 -1.317 6.842 5.094 1.00 0.00 C ATOM 66 CD GLN A 5 -1.811 6.466 6.491 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.612 7.202 7.437 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.454 5.342 6.663 1.00 0.00 N ATOM 0 H GLN A 5 -4.206 6.486 2.290 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.644 8.564 3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.307 6.191 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.049 5.587 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.380 6.329 4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.113 7.912 5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.621 4.724 5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.789 5.083 7.591 1.00 0.00 H new ATOM 77 N CYS A 6 -1.615 7.067 0.979 1.00 0.00 N ATOM 78 CA CYS A 6 -0.543 7.108 -0.057 1.00 0.00 C ATOM 79 C CYS A 6 -0.990 8.016 -1.198 1.00 0.00 C ATOM 80 O CYS A 6 -0.186 8.598 -1.898 1.00 0.00 O ATOM 81 CB CYS A 6 -0.285 5.699 -0.599 1.00 0.00 C ATOM 82 SG CYS A 6 -0.191 4.531 0.779 1.00 0.00 S ATOM 0 H CYS A 6 -2.432 6.507 0.736 1.00 0.00 H new ATOM 0 HA CYS A 6 0.376 7.492 0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.083 5.409 -1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.644 5.681 -1.169 1.00 0.00 H new ATOM 87 N CYS A 7 -2.271 8.142 -1.390 1.00 0.00 N ATOM 88 CA CYS A 7 -2.777 9.010 -2.486 1.00 0.00 C ATOM 89 C CYS A 7 -2.891 10.453 -1.985 1.00 0.00 C ATOM 90 O CYS A 7 -2.430 11.376 -2.626 1.00 0.00 O ATOM 91 CB CYS A 7 -4.141 8.497 -2.951 1.00 0.00 C ATOM 92 SG CYS A 7 -4.560 9.268 -4.531 1.00 0.00 S ATOM 0 H CYS A 7 -2.991 7.680 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.084 8.985 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.118 7.412 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.903 8.728 -2.207 1.00 0.00 H new ATOM 97 N THR A 8 -3.481 10.660 -0.838 1.00 0.00 N ATOM 98 CA THR A 8 -3.591 12.048 -0.305 1.00 0.00 C ATOM 99 C THR A 8 -2.261 12.413 0.366 1.00 0.00 C ATOM 100 O THR A 8 -1.825 13.546 0.340 1.00 0.00 O ATOM 101 CB THR A 8 -4.771 12.130 0.690 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.528 13.301 0.417 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.278 12.176 2.144 1.00 0.00 C ATOM 0 H THR A 8 -3.889 9.933 -0.251 1.00 0.00 H new ATOM 0 HA THR A 8 -3.788 12.758 -1.108 1.00 0.00 H new ATOM 0 HB THR A 8 -5.385 11.238 0.567 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.279 13.358 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.134 12.233 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.705 11.275 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.645 13.052 2.286 1.00 0.00 H new ATOM 111 N SER A 9 -1.612 11.443 0.950 1.00 0.00 N ATOM 112 CA SER A 9 -0.302 11.694 1.612 1.00 0.00 C ATOM 113 C SER A 9 0.708 10.674 1.077 1.00 0.00 C ATOM 114 O SER A 9 0.732 10.384 -0.103 1.00 0.00 O ATOM 115 CB SER A 9 -0.456 11.535 3.126 1.00 0.00 C ATOM 116 OG SER A 9 0.491 12.367 3.782 1.00 0.00 O ATOM 0 H SER A 9 -1.938 10.478 0.997 1.00 0.00 H new ATOM 0 HA SER A 9 0.044 12.706 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.467 11.804 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.303 10.494 3.412 1.00 0.00 H new ATOM 0 HG SER A 9 0.395 12.270 4.752 1.00 0.00 H new ATOM 122 N ILE A 10 1.532 10.111 1.920 1.00 0.00 N ATOM 123 CA ILE A 10 2.509 9.103 1.419 1.00 0.00 C ATOM 124 C ILE A 10 2.604 7.934 2.388 1.00 0.00 C ATOM 125 O ILE A 10 2.220 8.027 3.538 1.00 0.00 O ATOM 126 CB ILE A 10 3.903 9.707 1.296 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.870 10.944 0.410 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.839 8.676 0.687 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.915 12.179 1.297 1.00 0.00 C ATOM 0 H ILE A 10 1.571 10.302 2.921 1.00 0.00 H new ATOM 0 HA ILE A 10 2.157 8.770 0.443 1.00 0.00 H new ATOM 0 HB ILE A 10 4.255 9.995 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.717 10.940 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.966 10.949 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.839 9.101 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.876 7.795 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.474 8.392 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.892 13.074 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.054 12.179 1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.832 12.170 1.887 1.00 0.00 H new ATOM 141 N CYS A 11 3.147 6.844 1.935 1.00 0.00 N ATOM 142 CA CYS A 11 3.310 5.670 2.836 1.00 0.00 C ATOM 143 C CYS A 11 4.608 4.949 2.490 1.00 0.00 C ATOM 144 O CYS A 11 5.190 5.153 1.443 1.00 0.00 O ATOM 145 CB CYS A 11 2.145 4.696 2.677 1.00 0.00 C ATOM 146 SG CYS A 11 0.632 5.603 2.276 1.00 0.00 S ATOM 0 H CYS A 11 3.485 6.713 0.982 1.00 0.00 H new ATOM 0 HA CYS A 11 3.333 6.025 3.866 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.367 3.976 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.006 4.129 3.597 1.00 0.00 H new ATOM 151 N SER A 12 5.058 4.100 3.363 1.00 0.00 N ATOM 152 CA SER A 12 6.312 3.347 3.102 1.00 0.00 C ATOM 153 C SER A 12 5.959 1.895 2.781 1.00 0.00 C ATOM 154 O SER A 12 5.040 1.335 3.342 1.00 0.00 O ATOM 155 CB SER A 12 7.205 3.396 4.342 1.00 0.00 C ATOM 156 OG SER A 12 6.729 2.460 5.300 1.00 0.00 O ATOM 0 H SER A 12 4.608 3.893 4.255 1.00 0.00 H new ATOM 0 HA SER A 12 6.844 3.792 2.261 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.235 3.165 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.204 4.400 4.766 1.00 0.00 H new ATOM 0 HG SER A 12 7.300 2.487 6.096 1.00 0.00 H new ATOM 162 N LEU A 13 6.675 1.284 1.882 1.00 0.00 N ATOM 163 CA LEU A 13 6.371 -0.131 1.529 1.00 0.00 C ATOM 164 C LEU A 13 6.141 -0.922 2.809 1.00 0.00 C ATOM 165 O LEU A 13 5.306 -1.803 2.869 1.00 0.00 O ATOM 166 CB LEU A 13 7.538 -0.735 0.750 1.00 0.00 C ATOM 167 CG LEU A 13 8.714 -0.997 1.693 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.560 -2.377 2.332 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.018 -0.951 0.900 1.00 0.00 C ATOM 0 H LEU A 13 7.457 1.701 1.376 1.00 0.00 H new ATOM 0 HA LEU A 13 5.477 -0.169 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.227 -1.666 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.844 -0.057 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 13 8.731 -0.235 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.398 -2.563 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.628 -2.415 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.544 -3.139 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.858 -1.137 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.998 -1.714 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.131 0.031 0.442 1.00 0.00 H new ATOM 181 N TYR A 14 6.857 -0.596 3.839 1.00 0.00 N ATOM 182 CA TYR A 14 6.662 -1.307 5.127 1.00 0.00 C ATOM 183 C TYR A 14 5.177 -1.237 5.461 1.00 0.00 C ATOM 184 O TYR A 14 4.568 -2.202 5.879 1.00 0.00 O ATOM 185 CB TYR A 14 7.470 -0.616 6.225 1.00 0.00 C ATOM 186 CG TYR A 14 8.064 -1.659 7.139 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.226 -2.536 7.840 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.454 -1.751 7.284 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.779 -3.505 8.687 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.007 -2.721 8.130 1.00 0.00 C ATOM 191 CZ TYR A 14 9.170 -3.599 8.831 1.00 0.00 C ATOM 192 OH TYR A 14 9.715 -4.555 9.664 1.00 0.00 O ATOM 0 H TYR A 14 7.571 0.133 3.847 1.00 0.00 H new ATOM 0 HA TYR A 14 6.995 -2.342 5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.261 -0.010 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.830 0.060 6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.154 -2.465 7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.099 -1.074 6.744 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.133 -4.180 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.079 -2.792 8.242 1.00 0.00 H new ATOM 0 HH TYR A 14 10.692 -4.484 9.648 1.00 0.00 H new ATOM 202 N GLN A 15 4.592 -0.094 5.247 1.00 0.00 N ATOM 203 CA GLN A 15 3.142 0.076 5.512 1.00 0.00 C ATOM 204 C GLN A 15 2.368 -0.638 4.408 1.00 0.00 C ATOM 205 O GLN A 15 1.241 -1.055 4.585 1.00 0.00 O ATOM 206 CB GLN A 15 2.809 1.567 5.493 1.00 0.00 C ATOM 207 CG GLN A 15 3.333 2.226 6.772 1.00 0.00 C ATOM 208 CD GLN A 15 2.829 3.670 6.846 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.006 4.435 5.920 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.208 4.076 7.918 1.00 0.00 N ATOM 0 H GLN A 15 5.064 0.739 4.895 1.00 0.00 H new ATOM 0 HA GLN A 15 2.875 -0.341 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.257 2.039 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.731 1.708 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.997 1.667 7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.423 2.209 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.059 3.433 8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.871 5.037 7.979 1.00 0.00 H new ATOM 219 N LEU A 16 2.982 -0.789 3.271 1.00 0.00 N ATOM 220 CA LEU A 16 2.322 -1.482 2.139 1.00 0.00 C ATOM 221 C LEU A 16 2.367 -2.985 2.396 1.00 0.00 C ATOM 222 O LEU A 16 1.485 -3.722 2.005 1.00 0.00 O ATOM 223 CB LEU A 16 3.071 -1.147 0.842 1.00 0.00 C ATOM 224 CG LEU A 16 2.971 0.357 0.514 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.677 0.524 -0.977 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.843 1.024 1.312 1.00 0.00 C ATOM 0 H LEU A 16 3.927 -0.456 3.077 1.00 0.00 H new ATOM 0 HA LEU A 16 1.285 -1.159 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.119 -1.432 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.658 -1.730 0.019 1.00 0.00 H new ATOM 0 HG LEU A 16 3.917 0.829 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.605 1.585 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.481 0.074 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.735 0.032 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.796 2.083 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.893 0.550 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.037 0.913 2.379 1.00 0.00 H new ATOM 238 N GLU A 17 3.389 -3.441 3.069 1.00 0.00 N ATOM 239 CA GLU A 17 3.486 -4.892 3.372 1.00 0.00 C ATOM 240 C GLU A 17 2.419 -5.244 4.404 1.00 0.00 C ATOM 241 O GLU A 17 2.068 -6.393 4.588 1.00 0.00 O ATOM 242 CB GLU A 17 4.872 -5.210 3.937 1.00 0.00 C ATOM 243 CG GLU A 17 5.938 -4.888 2.885 1.00 0.00 C ATOM 244 CD GLU A 17 7.160 -5.779 3.111 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.391 -6.158 4.247 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.844 -6.069 2.142 1.00 0.00 O ATOM 0 H GLU A 17 4.158 -2.870 3.420 1.00 0.00 H new ATOM 0 HA GLU A 17 3.334 -5.473 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.050 -4.628 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.929 -6.261 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.537 -5.049 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.223 -3.838 2.950 1.00 0.00 H new ATOM 253 N ASN A 18 1.894 -4.256 5.076 1.00 0.00 N ATOM 254 CA ASN A 18 0.841 -4.527 6.095 1.00 0.00 C ATOM 255 C ASN A 18 -0.487 -4.805 5.386 1.00 0.00 C ATOM 256 O ASN A 18 -1.456 -5.211 5.997 1.00 0.00 O ATOM 257 CB ASN A 18 0.688 -3.310 7.009 1.00 0.00 C ATOM 258 CG ASN A 18 -0.122 -3.699 8.246 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.423 -3.771 8.164 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 0.434 -3.940 9.299 1.00 0.00 N flip ATOM 0 H ASN A 18 2.148 -3.275 4.964 1.00 0.00 H new ATOM 0 HA ASN A 18 1.125 -5.393 6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.669 -2.939 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.190 -2.501 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.450 -3.884 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.116 -4.198 10.118 1.00 0.00 H new ATOM 267 N TYR A 19 -0.538 -4.591 4.100 1.00 0.00 N ATOM 268 CA TYR A 19 -1.801 -4.842 3.348 1.00 0.00 C ATOM 269 C TYR A 19 -1.737 -6.221 2.685 1.00 0.00 C ATOM 270 O TYR A 19 -2.644 -6.628 1.987 1.00 0.00 O ATOM 271 CB TYR A 19 -1.967 -3.771 2.268 1.00 0.00 C ATOM 272 CG TYR A 19 -2.214 -2.432 2.919 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.135 -1.671 3.385 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.522 -1.949 3.054 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.362 -0.426 3.986 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.751 -0.704 3.656 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.670 0.057 4.123 1.00 0.00 C ATOM 278 OH TYR A 19 -2.896 1.283 4.716 1.00 0.00 O ATOM 0 H TYR A 19 0.242 -4.253 3.536 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.646 -4.807 4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.073 -3.725 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.799 -4.027 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.127 -2.044 3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.354 -2.536 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.529 0.161 4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.759 -0.331 3.760 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.196 1.460 5.378 1.00 0.00 H new ATOM 288 N CYS A 20 -0.669 -6.943 2.894 1.00 0.00 N ATOM 289 CA CYS A 20 -0.542 -8.291 2.272 1.00 0.00 C ATOM 290 C CYS A 20 -1.718 -9.170 2.694 1.00 0.00 C ATOM 291 O CYS A 20 -2.364 -8.926 3.694 1.00 0.00 O ATOM 292 CB CYS A 20 0.767 -8.935 2.732 1.00 0.00 C ATOM 293 SG CYS A 20 2.152 -7.865 2.276 1.00 0.00 S ATOM 0 H CYS A 20 0.122 -6.656 3.470 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.543 -8.191 1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.751 -9.088 3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.884 -9.916 2.272 1.00 0.00 H new ATOM 298 N ASN A 21 -1.999 -10.198 1.939 1.00 0.00 N ATOM 299 CA ASN A 21 -3.132 -11.097 2.296 1.00 0.00 C ATOM 300 C ASN A 21 -4.364 -10.254 2.636 1.00 0.00 C ATOM 301 O ASN A 21 -5.032 -9.818 1.713 1.00 0.00 O ATOM 302 CB ASN A 21 -2.751 -11.954 3.508 1.00 0.00 C ATOM 303 CG ASN A 21 -1.242 -12.186 3.521 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.569 -11.828 4.467 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.681 -12.775 2.506 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.616 -10.058 3.813 1.00 0.00 O ATOM 0 H ASN A 21 -1.493 -10.453 1.091 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.356 -11.747 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.060 -11.458 4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.275 -12.909 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.326 -12.937 2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.248 -13.075 1.713 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 14.065 2.117 -1.465 1.00 0.00 N ATOM 315 CA PHE B 1 12.602 2.255 -1.222 1.00 0.00 C ATOM 316 C PHE B 1 12.357 3.387 -0.216 1.00 0.00 C ATOM 317 O PHE B 1 13.139 3.605 0.688 1.00 0.00 O ATOM 318 CB PHE B 1 12.054 0.943 -0.660 1.00 0.00 C ATOM 319 CG PHE B 1 11.102 0.318 -1.656 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.794 0.809 -1.778 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.525 -0.754 -2.453 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.911 0.228 -2.700 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.640 -1.336 -3.374 1.00 0.00 C ATOM 324 CZ PHE B 1 9.333 -0.844 -3.497 1.00 0.00 C ATOM 0 H1 PHE B 1 14.278 1.143 -1.760 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.356 2.777 -2.214 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.584 2.335 -0.591 1.00 0.00 H new ATOM 0 HA PHE B 1 12.096 2.487 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.874 0.257 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.539 1.127 0.283 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.467 1.634 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.532 -1.133 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.904 0.608 -2.796 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.966 -2.163 -3.988 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.652 -1.291 -4.206 1.00 0.00 H new ATOM 336 N VAL B 2 11.281 4.108 -0.371 1.00 0.00 N ATOM 337 CA VAL B 2 10.984 5.229 0.571 1.00 0.00 C ATOM 338 C VAL B 2 9.502 5.566 0.502 1.00 0.00 C ATOM 339 O VAL B 2 8.705 4.817 -0.026 1.00 0.00 O ATOM 340 CB VAL B 2 11.786 6.478 0.188 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.923 6.672 1.185 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.355 6.324 -1.223 1.00 0.00 C ATOM 0 H VAL B 2 10.592 3.970 -1.110 1.00 0.00 H new ATOM 0 HA VAL B 2 11.259 4.918 1.579 1.00 0.00 H new ATOM 0 HB VAL B 2 11.130 7.348 0.209 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.496 7.560 0.916 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.511 6.796 2.187 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.576 5.799 1.166 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.923 7.216 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.010 5.454 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.538 6.192 -1.932 1.00 0.00 H new ATOM 352 N ASN B 3 9.126 6.695 1.029 1.00 0.00 N ATOM 353 CA ASN B 3 7.693 7.081 0.983 1.00 0.00 C ATOM 354 C ASN B 3 7.322 7.411 -0.467 1.00 0.00 C ATOM 355 O ASN B 3 8.097 7.996 -1.196 1.00 0.00 O ATOM 356 CB ASN B 3 7.424 8.297 1.890 1.00 0.00 C ATOM 357 CG ASN B 3 8.504 8.401 2.970 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.577 9.106 2.736 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 8.369 7.837 4.038 1.00 0.00 N flip ATOM 0 H ASN B 3 9.746 7.363 1.487 1.00 0.00 H new ATOM 0 HA ASN B 3 7.083 6.253 1.346 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.408 9.209 1.293 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.443 8.203 2.355 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.530 7.286 4.221 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.094 7.915 4.751 1.00 0.00 H new ATOM 366 N GLN B 4 6.145 7.036 -0.895 1.00 0.00 N ATOM 367 CA GLN B 4 5.736 7.326 -2.300 1.00 0.00 C ATOM 368 C GLN B 4 4.233 7.590 -2.353 1.00 0.00 C ATOM 369 O GLN B 4 3.451 6.912 -1.712 1.00 0.00 O ATOM 370 CB GLN B 4 6.059 6.119 -3.185 1.00 0.00 C ATOM 371 CG GLN B 4 6.611 6.604 -4.527 1.00 0.00 C ATOM 372 CD GLN B 4 7.517 5.526 -5.125 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.299 5.080 -6.233 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.532 5.087 -4.433 1.00 0.00 N ATOM 0 H GLN B 4 5.451 6.543 -0.333 1.00 0.00 H new ATOM 0 HA GLN B 4 6.277 8.203 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.788 5.477 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.162 5.520 -3.344 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.792 6.826 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.171 7.529 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.715 5.462 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.143 4.369 -4.823 1.00 0.00 H new ATOM 383 N HIS B 5 3.821 8.566 -3.110 1.00 0.00 N ATOM 384 CA HIS B 5 2.368 8.865 -3.205 1.00 0.00 C ATOM 385 C HIS B 5 1.718 7.842 -4.136 1.00 0.00 C ATOM 386 O HIS B 5 2.033 7.767 -5.307 1.00 0.00 O ATOM 387 CB HIS B 5 2.164 10.265 -3.782 1.00 0.00 C ATOM 388 CG HIS B 5 2.668 11.303 -2.819 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.798 12.077 -2.080 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.938 11.699 -2.504 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.552 12.911 -1.348 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.869 12.716 -1.576 1.00 0.00 N ATOM 0 H HIS B 5 4.427 9.169 -3.666 1.00 0.00 H new ATOM 0 HA HIS B 5 1.918 8.816 -2.213 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.690 10.355 -4.732 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.106 10.431 -3.986 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.779 12.025 -2.088 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.846 11.283 -2.915 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.156 13.646 -0.663 1.00 0.00 H new ATOM 400 N LEU B 6 0.818 7.050 -3.630 1.00 0.00 N ATOM 401 CA LEU B 6 0.160 6.031 -4.491 1.00 0.00 C ATOM 402 C LEU B 6 -1.356 6.227 -4.442 1.00 0.00 C ATOM 403 O LEU B 6 -1.873 6.902 -3.578 1.00 0.00 O ATOM 404 CB LEU B 6 0.520 4.637 -3.983 1.00 0.00 C ATOM 405 CG LEU B 6 2.039 4.481 -3.915 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.375 3.105 -3.349 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.635 4.595 -5.315 1.00 0.00 C ATOM 0 H LEU B 6 0.509 7.064 -2.658 1.00 0.00 H new ATOM 0 HA LEU B 6 0.502 6.140 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.085 4.477 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.098 3.880 -4.644 1.00 0.00 H new ATOM 0 HG LEU B 6 2.452 5.263 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.457 2.987 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.952 3.010 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.956 2.334 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.718 4.483 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.221 3.813 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.392 5.571 -5.735 1.00 0.00 H new ATOM 419 N CYS B 7 -2.075 5.650 -5.367 1.00 0.00 N ATOM 420 CA CYS B 7 -3.558 5.821 -5.371 1.00 0.00 C ATOM 421 C CYS B 7 -4.243 4.526 -5.809 1.00 0.00 C ATOM 422 O CYS B 7 -4.879 3.849 -5.028 1.00 0.00 O ATOM 423 CB CYS B 7 -3.940 6.937 -6.348 1.00 0.00 C ATOM 424 SG CYS B 7 -3.202 8.500 -5.814 1.00 0.00 S ATOM 0 H CYS B 7 -1.702 5.069 -6.118 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.882 6.076 -4.362 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.597 6.687 -7.352 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.025 7.034 -6.397 1.00 0.00 H new ATOM 429 N GLY B 8 -4.137 4.198 -7.062 1.00 0.00 N ATOM 430 CA GLY B 8 -4.802 2.962 -7.575 1.00 0.00 C ATOM 431 C GLY B 8 -3.767 1.958 -8.097 1.00 0.00 C ATOM 432 O GLY B 8 -3.239 1.156 -7.353 1.00 0.00 O ATOM 0 H GLY B 8 -3.618 4.731 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.389 2.504 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.496 3.223 -8.374 1.00 0.00 H new ATOM 436 N SER B 9 -3.483 1.986 -9.374 1.00 0.00 N ATOM 437 CA SER B 9 -2.494 1.023 -9.941 1.00 0.00 C ATOM 438 C SER B 9 -1.231 1.063 -9.097 1.00 0.00 C ATOM 439 O SER B 9 -0.790 0.071 -8.560 1.00 0.00 O ATOM 440 CB SER B 9 -2.163 1.415 -11.381 1.00 0.00 C ATOM 441 OG SER B 9 -3.277 1.122 -12.215 1.00 0.00 O ATOM 0 H SER B 9 -3.893 2.633 -10.047 1.00 0.00 H new ATOM 0 HA SER B 9 -2.912 0.016 -9.934 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.923 2.477 -11.435 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.283 0.871 -11.725 1.00 0.00 H new ATOM 0 HG SER B 9 -3.069 1.374 -13.139 1.00 0.00 H new ATOM 447 N HIS B 10 -0.658 2.217 -8.977 1.00 0.00 N ATOM 448 CA HIS B 10 0.589 2.366 -8.163 1.00 0.00 C ATOM 449 C HIS B 10 0.333 2.031 -6.683 1.00 0.00 C ATOM 450 O HIS B 10 1.237 2.085 -5.875 1.00 0.00 O ATOM 451 CB HIS B 10 1.141 3.798 -8.250 1.00 0.00 C ATOM 452 CG HIS B 10 0.074 4.781 -8.661 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.250 4.878 -8.324 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.356 5.820 -9.521 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.792 5.971 -8.968 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.783 6.510 -9.679 1.00 0.00 N flip ATOM 0 H HIS B 10 -0.996 3.078 -9.408 1.00 0.00 H new ATOM 0 HA HIS B 10 1.318 1.667 -8.574 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.552 4.089 -7.283 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.961 3.829 -8.967 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.310 6.037 -9.979 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.812 6.321 -8.913 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -0.874 7.340 -10.265 1.00 0.00 H new ATOM 464 N LEU B 11 -0.861 1.651 -6.318 1.00 0.00 N ATOM 465 CA LEU B 11 -1.112 1.283 -4.902 1.00 0.00 C ATOM 466 C LEU B 11 -1.201 -0.220 -4.865 1.00 0.00 C ATOM 467 O LEU B 11 -0.603 -0.888 -4.046 1.00 0.00 O ATOM 468 CB LEU B 11 -2.426 1.890 -4.409 1.00 0.00 C ATOM 469 CG LEU B 11 -2.131 3.101 -3.532 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.431 3.622 -2.923 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.188 2.680 -2.406 1.00 0.00 C ATOM 0 H LEU B 11 -1.668 1.581 -6.938 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.317 1.658 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.044 2.184 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.992 1.149 -3.845 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.671 3.885 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.218 4.488 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.116 3.911 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.888 2.840 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.971 3.540 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.660 1.900 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.260 2.300 -2.832 1.00 0.00 H new ATOM 483 N VAL B 12 -1.914 -0.747 -5.802 1.00 0.00 N ATOM 484 CA VAL B 12 -2.032 -2.207 -5.914 1.00 0.00 C ATOM 485 C VAL B 12 -0.717 -2.694 -6.488 1.00 0.00 C ATOM 486 O VAL B 12 -0.228 -3.761 -6.175 1.00 0.00 O ATOM 487 CB VAL B 12 -3.175 -2.538 -6.871 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.369 -1.629 -6.576 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.706 -2.313 -8.313 1.00 0.00 C ATOM 0 H VAL B 12 -2.428 -0.217 -6.506 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.238 -2.678 -4.953 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.472 -3.578 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.184 -1.866 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.700 -1.784 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.075 -0.588 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.518 -2.548 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.412 -1.271 -8.442 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.854 -2.959 -8.524 1.00 0.00 H new ATOM 499 N GLU B 13 -0.135 -1.877 -7.319 1.00 0.00 N ATOM 500 CA GLU B 13 1.160 -2.233 -7.920 1.00 0.00 C ATOM 501 C GLU B 13 2.211 -2.085 -6.829 1.00 0.00 C ATOM 502 O GLU B 13 3.150 -2.850 -6.731 1.00 0.00 O ATOM 503 CB GLU B 13 1.476 -1.296 -9.088 1.00 0.00 C ATOM 504 CG GLU B 13 0.613 -1.677 -10.292 1.00 0.00 C ATOM 505 CD GLU B 13 1.498 -1.801 -11.536 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.418 -2.602 -11.506 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.238 -1.095 -12.496 1.00 0.00 O ATOM 0 H GLU B 13 -0.511 -0.973 -7.604 1.00 0.00 H new ATOM 0 HA GLU B 13 1.142 -3.252 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.284 -0.262 -8.801 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.532 -1.364 -9.348 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.101 -2.620 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.157 -0.923 -10.454 1.00 0.00 H new ATOM 514 N ALA B 14 2.027 -1.106 -5.983 1.00 0.00 N ATOM 515 CA ALA B 14 2.970 -0.895 -4.859 1.00 0.00 C ATOM 516 C ALA B 14 2.807 -2.059 -3.887 1.00 0.00 C ATOM 517 O ALA B 14 3.765 -2.664 -3.452 1.00 0.00 O ATOM 518 CB ALA B 14 2.627 0.419 -4.152 1.00 0.00 C ATOM 0 H ALA B 14 1.255 -0.441 -6.028 1.00 0.00 H new ATOM 0 HA ALA B 14 3.997 -0.845 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.318 0.578 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.710 1.245 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.608 0.371 -3.769 1.00 0.00 H new ATOM 524 N LEU B 15 1.584 -2.389 -3.562 1.00 0.00 N ATOM 525 CA LEU B 15 1.346 -3.529 -2.638 1.00 0.00 C ATOM 526 C LEU B 15 1.792 -4.809 -3.329 1.00 0.00 C ATOM 527 O LEU B 15 2.464 -5.644 -2.757 1.00 0.00 O ATOM 528 CB LEU B 15 -0.150 -3.634 -2.310 1.00 0.00 C ATOM 529 CG LEU B 15 -0.655 -2.403 -1.531 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.593 -2.874 -0.426 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.500 -1.634 -0.883 1.00 0.00 C ATOM 0 H LEU B 15 0.744 -1.918 -3.897 1.00 0.00 H new ATOM 0 HA LEU B 15 1.904 -3.376 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.718 -3.737 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.331 -4.534 -1.723 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.164 -1.742 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.958 -2.013 0.133 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.437 -3.404 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.056 -3.542 0.247 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.106 -0.773 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.028 -2.288 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.189 -1.293 -1.656 1.00 0.00 H new ATOM 543 N TYR B 16 1.423 -4.966 -4.563 1.00 0.00 N ATOM 544 CA TYR B 16 1.827 -6.190 -5.306 1.00 0.00 C ATOM 545 C TYR B 16 3.353 -6.275 -5.340 1.00 0.00 C ATOM 546 O TYR B 16 3.922 -7.325 -5.558 1.00 0.00 O ATOM 547 CB TYR B 16 1.281 -6.127 -6.736 1.00 0.00 C ATOM 548 CG TYR B 16 1.955 -7.184 -7.577 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.574 -8.525 -7.451 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.966 -6.822 -8.476 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.203 -9.505 -8.228 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.596 -7.801 -9.251 1.00 0.00 C ATOM 553 CZ TYR B 16 3.215 -9.145 -9.128 1.00 0.00 C ATOM 554 OH TYR B 16 3.836 -10.110 -9.893 1.00 0.00 O ATOM 0 H TYR B 16 0.859 -4.301 -5.092 1.00 0.00 H new ATOM 0 HA TYR B 16 1.423 -7.072 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.202 -6.283 -6.732 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.459 -5.140 -7.162 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.796 -8.803 -6.755 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.259 -5.787 -8.571 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.908 -10.540 -8.134 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.376 -7.522 -9.944 1.00 0.00 H new ATOM 0 HH TYR B 16 4.512 -9.690 -10.464 1.00 0.00 H new ATOM 564 N LEU B 17 4.017 -5.176 -5.123 1.00 0.00 N ATOM 565 CA LEU B 17 5.505 -5.190 -5.140 1.00 0.00 C ATOM 566 C LEU B 17 6.019 -5.354 -3.712 1.00 0.00 C ATOM 567 O LEU B 17 7.086 -5.888 -3.484 1.00 0.00 O ATOM 568 CB LEU B 17 6.024 -3.875 -5.728 1.00 0.00 C ATOM 569 CG LEU B 17 7.225 -4.153 -6.637 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.860 -5.228 -7.659 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.609 -2.871 -7.375 1.00 0.00 C ATOM 0 H LEU B 17 3.593 -4.268 -4.934 1.00 0.00 H new ATOM 0 HA LEU B 17 5.858 -6.019 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.234 -3.382 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.313 -3.196 -4.926 1.00 0.00 H new ATOM 0 HG LEU B 17 8.063 -4.497 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.717 -5.423 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.581 -6.145 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.021 -4.885 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.464 -3.066 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.767 -2.532 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.871 -2.099 -6.651 1.00 0.00 H new ATOM 583 N VAL B 18 5.268 -4.905 -2.748 1.00 0.00 N ATOM 584 CA VAL B 18 5.713 -5.046 -1.338 1.00 0.00 C ATOM 585 C VAL B 18 5.310 -6.425 -0.825 1.00 0.00 C ATOM 586 O VAL B 18 6.034 -7.067 -0.089 1.00 0.00 O ATOM 587 CB VAL B 18 5.063 -3.954 -0.483 1.00 0.00 C ATOM 588 CG1 VAL B 18 5.079 -2.630 -1.247 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.616 -4.336 -0.163 1.00 0.00 C ATOM 0 H VAL B 18 4.366 -4.447 -2.876 1.00 0.00 H new ATOM 0 HA VAL B 18 6.796 -4.941 -1.278 1.00 0.00 H new ATOM 0 HB VAL B 18 5.622 -3.848 0.447 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.616 -1.853 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.109 -2.351 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.523 -2.740 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.160 -3.555 0.445 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.055 -4.447 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.601 -5.278 0.385 1.00 0.00 H new ATOM 599 N CYS B 19 4.156 -6.885 -1.214 1.00 0.00 N ATOM 600 CA CYS B 19 3.696 -8.225 -0.758 1.00 0.00 C ATOM 601 C CYS B 19 4.202 -9.294 -1.729 1.00 0.00 C ATOM 602 O CYS B 19 4.209 -10.469 -1.425 1.00 0.00 O ATOM 603 CB CYS B 19 2.168 -8.249 -0.718 1.00 0.00 C ATOM 604 SG CYS B 19 1.588 -7.058 0.513 1.00 0.00 S ATOM 0 H CYS B 19 3.510 -6.391 -1.829 1.00 0.00 H new ATOM 0 HA CYS B 19 4.088 -8.428 0.239 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.762 -8.003 -1.699 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.814 -9.249 -0.469 1.00 0.00 H new ATOM 609 N GLY B 20 4.628 -8.893 -2.897 1.00 0.00 N ATOM 610 CA GLY B 20 5.135 -9.885 -3.885 1.00 0.00 C ATOM 611 C GLY B 20 4.083 -10.974 -4.109 1.00 0.00 C ATOM 612 O GLY B 20 2.935 -10.692 -4.389 1.00 0.00 O ATOM 0 H GLY B 20 4.646 -7.922 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.365 -9.389 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.062 -10.330 -3.525 1.00 0.00 H new ATOM 616 N GLU B 21 4.465 -12.217 -3.990 1.00 0.00 N ATOM 617 CA GLU B 21 3.484 -13.320 -4.196 1.00 0.00 C ATOM 618 C GLU B 21 2.409 -13.254 -3.112 1.00 0.00 C ATOM 619 O GLU B 21 1.265 -13.595 -3.337 1.00 0.00 O ATOM 620 CB GLU B 21 4.205 -14.667 -4.121 1.00 0.00 C ATOM 621 CG GLU B 21 4.987 -14.757 -2.808 1.00 0.00 C ATOM 622 CD GLU B 21 4.336 -15.800 -1.898 1.00 0.00 C ATOM 623 OE1 GLU B 21 4.531 -16.978 -2.143 1.00 0.00 O ATOM 624 OE2 GLU B 21 3.649 -15.401 -0.971 1.00 0.00 O ATOM 0 H GLU B 21 5.413 -12.516 -3.759 1.00 0.00 H new ATOM 0 HA GLU B 21 3.018 -13.214 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.483 -15.481 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.882 -14.776 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.024 -15.029 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.002 -13.786 -2.314 1.00 0.00 H new ATOM 631 N ARG B 22 2.766 -12.818 -1.936 1.00 0.00 N ATOM 632 CA ARG B 22 1.761 -12.731 -0.838 1.00 0.00 C ATOM 633 C ARG B 22 0.600 -11.843 -1.289 1.00 0.00 C ATOM 634 O ARG B 22 -0.474 -11.869 -0.723 1.00 0.00 O ATOM 635 CB ARG B 22 2.416 -12.128 0.406 1.00 0.00 C ATOM 636 CG ARG B 22 3.390 -13.143 1.010 1.00 0.00 C ATOM 637 CD ARG B 22 3.933 -12.603 2.333 1.00 0.00 C ATOM 638 NE ARG B 22 3.794 -13.646 3.389 1.00 0.00 N ATOM 639 CZ ARG B 22 4.745 -14.521 3.573 1.00 0.00 C ATOM 640 NH1 ARG B 22 5.213 -15.199 2.562 1.00 0.00 N ATOM 641 NH2 ARG B 22 5.229 -14.717 4.770 1.00 0.00 N ATOM 0 H ARG B 22 3.709 -12.518 -1.687 1.00 0.00 H new ATOM 0 HA ARG B 22 1.388 -13.727 -0.601 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.945 -11.211 0.144 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.654 -11.859 1.137 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.885 -14.095 1.173 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.211 -13.332 0.318 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.980 -12.321 2.221 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.390 -11.703 2.621 1.00 0.00 H new ATOM 0 HE ARG B 22 2.955 -13.676 3.968 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.836 -15.046 1.627 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.956 -15.883 2.707 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.864 -14.186 5.561 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.972 -15.401 4.914 1.00 0.00 H new ATOM 655 N GLY B 23 0.811 -11.060 -2.309 1.00 0.00 N ATOM 656 CA GLY B 23 -0.273 -10.168 -2.809 1.00 0.00 C ATOM 657 C GLY B 23 -0.862 -9.375 -1.643 1.00 0.00 C ATOM 658 O GLY B 23 -0.265 -9.262 -0.592 1.00 0.00 O ATOM 0 H GLY B 23 1.691 -10.999 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.121 -9.487 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.052 -10.760 -3.290 1.00 0.00 H new ATOM 662 N PHE B 24 -2.028 -8.816 -1.821 1.00 0.00 N ATOM 663 CA PHE B 24 -2.649 -8.025 -0.723 1.00 0.00 C ATOM 664 C PHE B 24 -4.159 -7.924 -0.957 1.00 0.00 C ATOM 665 O PHE B 24 -4.674 -8.376 -1.959 1.00 0.00 O ATOM 666 CB PHE B 24 -2.047 -6.619 -0.710 1.00 0.00 C ATOM 667 CG PHE B 24 -2.119 -6.036 -2.101 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.350 -6.590 -3.133 1.00 0.00 C ATOM 669 CD2 PHE B 24 -2.959 -4.945 -2.362 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.418 -6.053 -4.424 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.028 -4.408 -3.655 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.257 -4.961 -4.686 1.00 0.00 C ATOM 0 H PHE B 24 -2.576 -8.873 -2.679 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.459 -8.516 0.231 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.589 -5.985 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.012 -6.657 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.704 -7.432 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.553 -4.518 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.824 -6.480 -5.218 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.676 -3.568 -3.857 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.309 -4.546 -5.682 1.00 0.00 H new ATOM 682 N PHE B 25 -4.868 -7.327 -0.040 1.00 0.00 N ATOM 683 CA PHE B 25 -6.340 -7.189 -0.210 1.00 0.00 C ATOM 684 C PHE B 25 -6.659 -5.777 -0.694 1.00 0.00 C ATOM 685 O PHE B 25 -7.620 -5.551 -1.402 1.00 0.00 O ATOM 686 CB PHE B 25 -7.036 -7.443 1.129 1.00 0.00 C ATOM 687 CG PHE B 25 -8.424 -7.980 0.880 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.395 -7.165 0.284 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.742 -9.295 1.246 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.683 -7.664 0.053 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.031 -9.794 1.015 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.001 -8.978 0.419 1.00 0.00 C ATOM 0 H PHE B 25 -4.491 -6.929 0.820 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.694 -7.915 -0.942 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.460 -8.154 1.721 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.090 -6.519 1.704 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.150 -6.151 0.003 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.994 -9.924 1.706 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.431 -7.036 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.276 -10.807 1.296 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.995 -9.362 0.242 1.00 0.00 H new ATOM 702 N TYR B 26 -5.854 -4.828 -0.315 1.00 0.00 N ATOM 703 CA TYR B 26 -6.090 -3.420 -0.744 1.00 0.00 C ATOM 704 C TYR B 26 -7.490 -2.975 -0.313 1.00 0.00 C ATOM 705 O TYR B 26 -8.489 -3.496 -0.771 1.00 0.00 O ATOM 706 CB TYR B 26 -5.966 -3.318 -2.266 1.00 0.00 C ATOM 707 CG TYR B 26 -6.005 -1.865 -2.670 1.00 0.00 C ATOM 708 CD1 TYR B 26 -4.945 -1.015 -2.328 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.102 -1.364 -3.382 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.984 0.336 -2.697 1.00 0.00 C ATOM 711 CE2 TYR B 26 -7.141 -0.013 -3.752 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.081 0.837 -3.409 1.00 0.00 C ATOM 713 OH TYR B 26 -6.119 2.167 -3.773 1.00 0.00 O ATOM 0 H TYR B 26 -5.036 -4.966 0.278 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.347 -2.774 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.034 -3.775 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.778 -3.863 -2.747 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.098 -1.401 -1.780 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.919 -2.019 -3.646 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.168 0.992 -2.432 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.987 0.373 -4.301 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.377 2.360 -4.383 1.00 0.00 H new ATOM 723 N THR B 27 -7.573 -2.014 0.567 1.00 0.00 N ATOM 724 CA THR B 27 -8.909 -1.539 1.027 1.00 0.00 C ATOM 725 C THR B 27 -9.114 -0.087 0.589 1.00 0.00 C ATOM 726 O THR B 27 -8.275 0.501 -0.063 1.00 0.00 O ATOM 727 CB THR B 27 -8.981 -1.622 2.554 1.00 0.00 C ATOM 728 OG1 THR B 27 -7.777 -1.115 3.113 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.169 -3.080 2.978 1.00 0.00 C ATOM 0 H THR B 27 -6.774 -1.538 0.987 1.00 0.00 H new ATOM 0 HA THR B 27 -9.687 -2.165 0.589 1.00 0.00 H new ATOM 0 HB THR B 27 -9.824 -1.030 2.911 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.823 -1.166 4.091 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.220 -3.139 4.065 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.093 -3.467 2.550 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.327 -3.674 2.622 1.00 0.00 H new ATOM 737 N LYS B 28 -10.226 0.496 0.947 1.00 0.00 N ATOM 738 CA LYS B 28 -10.488 1.910 0.555 1.00 0.00 C ATOM 739 C LYS B 28 -11.805 2.380 1.182 1.00 0.00 C ATOM 740 O LYS B 28 -12.627 1.574 1.569 1.00 0.00 O ATOM 741 CB LYS B 28 -10.587 2.011 -0.968 1.00 0.00 C ATOM 742 CG LYS B 28 -11.480 0.888 -1.497 1.00 0.00 C ATOM 743 CD LYS B 28 -10.669 -0.004 -2.438 1.00 0.00 C ATOM 744 CE LYS B 28 -11.562 -1.120 -2.981 1.00 0.00 C ATOM 745 NZ LYS B 28 -11.361 -1.249 -4.452 1.00 0.00 N ATOM 0 H LYS B 28 -10.964 0.054 1.494 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.671 2.539 0.908 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.996 2.980 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.594 1.941 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.872 0.299 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.337 1.307 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.268 0.588 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.818 -0.431 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.325 -2.062 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.608 -0.901 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.969 -2.008 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.608 -0.352 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.365 -1.477 -4.648 1.00 0.00 H new ATOM 759 N PRO B 29 -11.961 3.676 1.261 1.00 0.00 N ATOM 760 CA PRO B 29 -13.165 4.298 1.838 1.00 0.00 C ATOM 761 C PRO B 29 -14.313 4.279 0.824 1.00 0.00 C ATOM 762 O PRO B 29 -14.364 5.082 -0.085 1.00 0.00 O ATOM 763 CB PRO B 29 -12.722 5.735 2.128 1.00 0.00 C ATOM 764 CG PRO B 29 -11.513 6.014 1.202 1.00 0.00 C ATOM 765 CD PRO B 29 -10.949 4.642 0.787 1.00 0.00 C ATOM 0 HA PRO B 29 -13.532 3.781 2.725 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.532 6.438 1.932 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.444 5.852 3.176 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.820 6.587 0.327 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.756 6.603 1.720 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.812 4.578 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.977 4.456 1.243 1.00 0.00 H new ATOM 773 N THR B 30 -15.236 3.367 0.972 1.00 0.00 N ATOM 774 CA THR B 30 -16.377 3.301 0.016 1.00 0.00 C ATOM 775 C THR B 30 -17.406 4.375 0.376 1.00 0.00 C ATOM 776 O THR B 30 -17.398 4.820 1.512 1.00 0.00 O ATOM 777 CB THR B 30 -17.032 1.920 0.100 1.00 0.00 C ATOM 778 OG1 THR B 30 -16.054 0.954 0.458 1.00 0.00 O ATOM 779 CG2 THR B 30 -17.635 1.557 -1.259 1.00 0.00 C ATOM 780 OXT THR B 30 -18.184 4.736 -0.493 1.00 0.00 O ATOM 0 H THR B 30 -15.249 2.666 1.713 1.00 0.00 H new ATOM 0 HA THR B 30 -16.013 3.471 -0.997 1.00 0.00 H new ATOM 0 HB THR B 30 -17.820 1.936 0.853 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.473 0.070 0.514 1.00 0.00 H new ATOM 0 HG21 THR B 30 -18.101 0.574 -1.199 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.385 2.298 -1.534 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.848 1.540 -2.013 1.00 0.00 H new TER 788 THR B 30