USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 hydrogens (5 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 NoAdj-H: B 8 DSN H2 : B 8 DSN N : B 7 CYS C :(H bumps) USER MOD NoAdj-H: B 8 DSN H : B 8 DSN N : B 7 CYS C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= -0.598 X(o=-1.2,f=-0.67) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.564 X(o=-1.2,f=-0.67) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0218 (180deg=-0.144) USER MOD Single : A 8 THR OG1 : rot 66:sc= -0.215 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -121:sc= -3.65! USER MOD Single : A 21 ASN : amide:sc=-0.00403 X(o=-0.004,f=0) USER MOD Single : B 1 PHE N :NH3+ -130:sc= -0.497 (180deg=-1.8!) USER MOD Single : B 3 ASN :FLIP amide:sc= 0.721 F(o=-0.56,f=0.72) USER MOD Single : B 4 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.98) USER MOD Single : B 5 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : B 8 DSN OG : rot 180:sc= -0.0683 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -140:sc= -0.716 USER MOD Single : B 27 THR OG1 : rot 140:sc= -1.16! USER MOD Single : B 28 LYS NZ :NH3+ -133:sc= -0.0396 (180deg=-0.302) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.327 3.673 1.997 1.00 0.00 N ATOM 2 CA GLY A 1 -9.636 4.705 1.176 1.00 0.00 C ATOM 3 C GLY A 1 -8.170 4.846 1.535 1.00 0.00 C ATOM 4 O GLY A 1 -7.592 5.925 1.404 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.353 3.731 1.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.987 2.728 1.726 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.125 3.838 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.725 4.445 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.134 5.665 1.311 1.00 0.00 H new ATOM 10 N ILE A 2 -7.567 3.751 1.991 1.00 0.00 N ATOM 11 CA ILE A 2 -6.158 3.752 2.374 1.00 0.00 C ATOM 12 C ILE A 2 -5.282 4.345 1.274 1.00 0.00 C ATOM 13 O ILE A 2 -4.228 4.921 1.549 1.00 0.00 O ATOM 14 CB ILE A 2 -5.666 2.327 2.696 1.00 0.00 C ATOM 15 CG1 ILE A 2 -6.607 1.652 3.697 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.246 2.365 3.241 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.582 0.689 3.054 1.00 0.00 C ATOM 0 H ILE A 2 -8.033 2.851 2.104 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.075 4.371 3.267 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.665 1.744 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.013 1.115 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.166 2.419 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.914 1.351 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.583 2.809 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.222 2.962 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.217 0.248 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.201 1.225 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.030 -0.100 2.542 1.00 0.00 H new ATOM 29 N VAL A 3 -5.724 4.204 0.028 1.00 0.00 N ATOM 30 CA VAL A 3 -4.982 4.728 -1.114 1.00 0.00 C ATOM 31 C VAL A 3 -4.727 6.227 -0.967 1.00 0.00 C ATOM 32 O VAL A 3 -3.745 6.753 -1.490 1.00 0.00 O ATOM 33 CB VAL A 3 -5.734 4.475 -2.434 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.079 5.183 -2.430 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.892 4.919 -3.619 1.00 0.00 C ATOM 0 H VAL A 3 -6.594 3.731 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.028 4.202 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.917 3.404 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.594 4.991 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.684 4.810 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.925 6.256 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.438 4.733 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.676 5.984 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.957 4.359 -3.631 1.00 0.00 H new ATOM 45 N GLU A 4 -5.624 6.909 -0.259 1.00 0.00 N ATOM 46 CA GLU A 4 -5.504 8.349 -0.048 1.00 0.00 C ATOM 47 C GLU A 4 -4.094 8.730 0.396 1.00 0.00 C ATOM 48 O GLU A 4 -3.581 9.784 0.027 1.00 0.00 O ATOM 49 CB GLU A 4 -6.527 8.819 0.993 1.00 0.00 C ATOM 50 CG GLU A 4 -6.199 8.387 2.414 1.00 0.00 C ATOM 51 CD GLU A 4 -7.194 8.916 3.428 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.387 10.149 3.482 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.780 8.099 4.168 1.00 0.00 O ATOM 0 H GLU A 4 -6.443 6.487 0.179 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.705 8.844 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.592 9.907 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.510 8.432 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.179 7.298 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.200 8.736 2.675 1.00 0.00 H new ATOM 60 N GLN A 5 -3.475 7.868 1.193 1.00 0.00 N ATOM 61 CA GLN A 5 -2.128 8.121 1.689 1.00 0.00 C ATOM 62 C GLN A 5 -1.129 8.236 0.540 1.00 0.00 C ATOM 63 O GLN A 5 -0.178 9.015 0.611 1.00 0.00 O ATOM 64 CB GLN A 5 -1.695 7.010 2.646 1.00 0.00 C ATOM 65 CG GLN A 5 -0.416 7.327 3.405 1.00 0.00 C ATOM 66 CD GLN A 5 -0.263 6.496 4.664 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.125 7.006 5.715 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.567 5.208 4.562 1.00 0.00 N ATOM 0 H GLN A 5 -3.884 6.989 1.509 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.143 9.070 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.496 6.825 3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.554 6.089 2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.441 7.154 2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.407 8.385 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.885 4.828 3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.483 4.598 5.375 1.00 0.00 H new ATOM 77 N CYS A 6 -1.342 7.451 -0.512 1.00 0.00 N ATOM 78 CA CYS A 6 -0.448 7.464 -1.664 1.00 0.00 C ATOM 79 C CYS A 6 -0.891 8.480 -2.708 1.00 0.00 C ATOM 80 O CYS A 6 -0.064 9.154 -3.320 1.00 0.00 O ATOM 81 CB CYS A 6 -0.374 6.070 -2.288 1.00 0.00 C ATOM 82 SG CYS A 6 -0.131 4.735 -1.073 1.00 0.00 S ATOM 0 H CYS A 6 -2.123 6.800 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 6 0.541 7.757 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.293 5.881 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.444 6.047 -3.008 1.00 0.00 H new ATOM 87 N CYS A 7 -2.194 8.573 -2.920 1.00 0.00 N ATOM 88 CA CYS A 7 -2.740 9.491 -3.908 1.00 0.00 C ATOM 89 C CYS A 7 -2.784 10.930 -3.395 1.00 0.00 C ATOM 90 O CYS A 7 -2.455 11.865 -4.126 1.00 0.00 O ATOM 91 CB CYS A 7 -4.138 9.036 -4.314 1.00 0.00 C ATOM 92 SG CYS A 7 -4.617 9.534 -6.001 1.00 0.00 S ATOM 0 H CYS A 7 -2.894 8.024 -2.421 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.080 9.477 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.192 7.950 -4.237 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.861 9.442 -3.607 1.00 0.00 H new ATOM 97 N THR A 8 -3.203 11.108 -2.147 1.00 0.00 N ATOM 98 CA THR A 8 -3.300 12.443 -1.561 1.00 0.00 C ATOM 99 C THR A 8 -1.923 13.021 -1.240 1.00 0.00 C ATOM 100 O THR A 8 -1.738 14.238 -1.251 1.00 0.00 O ATOM 101 CB THR A 8 -4.155 12.408 -0.294 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.309 11.610 -0.488 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.614 13.779 0.153 1.00 0.00 C ATOM 0 H THR A 8 -3.480 10.350 -1.523 1.00 0.00 H new ATOM 0 HA THR A 8 -3.773 13.090 -2.300 1.00 0.00 H new ATOM 0 HB THR A 8 -3.511 11.987 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.042 10.677 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.216 13.684 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.745 14.404 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.212 14.237 -0.635 1.00 0.00 H new ATOM 111 N SER A 9 -0.962 12.151 -0.947 1.00 0.00 N ATOM 112 CA SER A 9 0.388 12.597 -0.617 1.00 0.00 C ATOM 113 C SER A 9 1.430 11.549 -1.005 1.00 0.00 C ATOM 114 O SER A 9 1.167 10.680 -1.835 1.00 0.00 O ATOM 115 CB SER A 9 0.483 12.907 0.880 1.00 0.00 C ATOM 116 OG SER A 9 1.425 13.936 1.130 1.00 0.00 O ATOM 0 H SER A 9 -1.091 11.139 -0.931 1.00 0.00 H new ATOM 0 HA SER A 9 0.596 13.502 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.496 13.207 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.771 12.007 1.423 1.00 0.00 H new ATOM 0 HG SER A 9 1.465 14.116 2.093 1.00 0.00 H new ATOM 122 N ILE A 10 2.613 11.637 -0.400 1.00 0.00 N ATOM 123 CA ILE A 10 3.691 10.697 -0.684 1.00 0.00 C ATOM 124 C ILE A 10 3.468 9.390 0.071 1.00 0.00 C ATOM 125 O ILE A 10 3.046 9.394 1.227 1.00 0.00 O ATOM 126 CB ILE A 10 5.069 11.289 -0.297 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.495 12.370 -1.294 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.130 10.199 -0.225 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.436 13.418 -1.557 1.00 0.00 C ATOM 0 H ILE A 10 2.848 12.351 0.290 1.00 0.00 H new ATOM 0 HA ILE A 10 3.686 10.503 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 10 4.970 11.742 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.393 12.862 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.763 11.894 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.088 10.641 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.844 9.461 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.219 9.713 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.815 14.147 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.544 12.940 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.184 13.923 -0.624 1.00 0.00 H new ATOM 141 N CYS A 11 3.747 8.270 -0.590 1.00 0.00 N ATOM 142 CA CYS A 11 3.566 6.961 0.027 1.00 0.00 C ATOM 143 C CYS A 11 4.875 6.185 0.095 1.00 0.00 C ATOM 144 O CYS A 11 5.879 6.575 -0.503 1.00 0.00 O ATOM 145 CB CYS A 11 2.529 6.147 -0.746 1.00 0.00 C ATOM 146 SG CYS A 11 1.151 5.540 0.277 1.00 0.00 S ATOM 0 H CYS A 11 4.097 8.243 -1.548 1.00 0.00 H new ATOM 0 HA CYS A 11 3.215 7.127 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.127 6.762 -1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.025 5.295 -1.212 1.00 0.00 H new ATOM 151 N SER A 12 4.845 5.074 0.822 1.00 0.00 N ATOM 152 CA SER A 12 6.011 4.216 0.972 1.00 0.00 C ATOM 153 C SER A 12 5.645 2.775 0.636 1.00 0.00 C ATOM 154 O SER A 12 4.707 2.215 1.203 1.00 0.00 O ATOM 155 CB SER A 12 6.558 4.300 2.399 1.00 0.00 C ATOM 156 OG SER A 12 7.425 3.213 2.678 1.00 0.00 O ATOM 0 H SER A 12 4.018 4.746 1.320 1.00 0.00 H new ATOM 0 HA SER A 12 6.784 4.556 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.094 5.240 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.731 4.301 3.109 1.00 0.00 H new ATOM 0 HG SER A 12 7.762 3.291 3.595 1.00 0.00 H new ATOM 162 N LEU A 13 6.381 2.180 -0.298 1.00 0.00 N ATOM 163 CA LEU A 13 6.118 0.806 -0.713 1.00 0.00 C ATOM 164 C LEU A 13 6.032 -0.134 0.487 1.00 0.00 C ATOM 165 O LEU A 13 5.402 -1.189 0.411 1.00 0.00 O ATOM 166 CB LEU A 13 7.193 0.324 -1.689 1.00 0.00 C ATOM 167 CG LEU A 13 6.667 -0.100 -3.062 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.505 -1.069 -2.914 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.241 1.116 -3.866 1.00 0.00 C ATOM 0 H LEU A 13 7.161 2.626 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 13 5.152 0.793 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.924 1.121 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.720 -0.519 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 13 7.472 -0.605 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.145 -1.359 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.837 -1.956 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.699 -0.588 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.870 0.797 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.452 1.647 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.095 1.779 -4.003 1.00 0.00 H new ATOM 181 N TYR A 14 6.654 0.253 1.598 1.00 0.00 N ATOM 182 CA TYR A 14 6.625 -0.562 2.807 1.00 0.00 C ATOM 183 C TYR A 14 5.186 -0.856 3.210 1.00 0.00 C ATOM 184 O TYR A 14 4.789 -2.012 3.356 1.00 0.00 O ATOM 185 CB TYR A 14 7.355 0.148 3.949 1.00 0.00 C ATOM 186 CG TYR A 14 8.114 -0.789 4.861 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.444 -1.706 5.660 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.502 -0.755 4.924 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.135 -2.564 6.496 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.200 -1.609 5.756 1.00 0.00 C ATOM 191 CZ TYR A 14 9.512 -2.511 6.540 1.00 0.00 C ATOM 192 OH TYR A 14 10.204 -3.363 7.370 1.00 0.00 O ATOM 0 H TYR A 14 7.181 1.122 1.685 1.00 0.00 H new ATOM 0 HA TYR A 14 7.133 -1.504 2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.051 0.874 3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.630 0.707 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.365 -1.750 5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.044 -0.049 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.599 -3.272 7.111 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.279 -1.570 5.792 1.00 0.00 H new ATOM 0 HH TYR A 14 11.166 -3.197 7.281 1.00 0.00 H new ATOM 202 N GLN A 15 4.405 0.207 3.368 1.00 0.00 N ATOM 203 CA GLN A 15 2.998 0.085 3.735 1.00 0.00 C ATOM 204 C GLN A 15 2.272 -0.832 2.762 1.00 0.00 C ATOM 205 O GLN A 15 1.381 -1.588 3.151 1.00 0.00 O ATOM 206 CB GLN A 15 2.338 1.465 3.745 1.00 0.00 C ATOM 207 CG GLN A 15 2.813 2.357 4.881 1.00 0.00 C ATOM 208 CD GLN A 15 2.519 3.824 4.631 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.682 4.321 3.517 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.082 4.525 5.671 1.00 0.00 N ATOM 0 H GLN A 15 4.724 1.168 3.247 1.00 0.00 H new ATOM 0 HA GLN A 15 2.935 -0.347 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.539 1.962 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.257 1.342 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.331 2.046 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.886 2.223 5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.961 4.072 6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.867 5.516 5.564 1.00 0.00 H new ATOM 219 N LEU A 16 2.661 -0.764 1.494 1.00 0.00 N ATOM 220 CA LEU A 16 2.050 -1.593 0.467 1.00 0.00 C ATOM 221 C LEU A 16 2.503 -3.043 0.605 1.00 0.00 C ATOM 222 O LEU A 16 1.682 -3.957 0.630 1.00 0.00 O ATOM 223 CB LEU A 16 2.380 -1.052 -0.927 1.00 0.00 C ATOM 224 CG LEU A 16 1.572 0.180 -1.369 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.386 0.183 -2.875 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.213 0.230 -0.684 1.00 0.00 C ATOM 0 H LEU A 16 3.396 -0.143 1.155 1.00 0.00 H new ATOM 0 HA LEU A 16 0.968 -1.561 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.440 -0.800 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.221 -1.849 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 16 2.137 1.064 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.812 1.062 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.361 0.207 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.851 -0.717 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.331 1.113 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.356 -0.665 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.352 0.278 0.396 1.00 0.00 H new ATOM 238 N GLU A 17 3.812 -3.252 0.713 1.00 0.00 N ATOM 239 CA GLU A 17 4.358 -4.596 0.867 1.00 0.00 C ATOM 240 C GLU A 17 3.649 -5.342 1.997 1.00 0.00 C ATOM 241 O GLU A 17 3.598 -6.572 2.004 1.00 0.00 O ATOM 242 CB GLU A 17 5.861 -4.530 1.146 1.00 0.00 C ATOM 243 CG GLU A 17 6.566 -5.869 1.002 1.00 0.00 C ATOM 244 CD GLU A 17 8.067 -5.760 1.183 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.503 -5.304 2.261 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.807 -6.131 0.247 1.00 0.00 O ATOM 0 H GLU A 17 4.512 -2.510 0.697 1.00 0.00 H new ATOM 0 HA GLU A 17 4.194 -5.139 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.318 -3.813 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.018 -4.153 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.165 -6.567 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.352 -6.284 0.017 1.00 0.00 H new ATOM 253 N ASN A 18 3.100 -4.588 2.947 1.00 0.00 N ATOM 254 CA ASN A 18 2.390 -5.178 4.075 1.00 0.00 C ATOM 255 C ASN A 18 1.039 -5.736 3.635 1.00 0.00 C ATOM 256 O ASN A 18 0.545 -6.710 4.202 1.00 0.00 O ATOM 257 CB ASN A 18 2.190 -4.138 5.179 1.00 0.00 C ATOM 258 CG ASN A 18 1.556 -4.730 6.423 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.240 -5.314 7.265 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.242 -4.584 6.545 1.00 0.00 N ATOM 0 H ASN A 18 3.134 -3.569 2.956 1.00 0.00 H new ATOM 0 HA ASN A 18 2.993 -5.999 4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.153 -3.699 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.562 -3.330 4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.240 -4.963 7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.286 -4.093 5.823 1.00 0.00 H new ATOM 267 N TYR A 19 0.446 -5.113 2.618 1.00 0.00 N ATOM 268 CA TYR A 19 -0.848 -5.549 2.099 1.00 0.00 C ATOM 269 C TYR A 19 -0.829 -7.038 1.767 1.00 0.00 C ATOM 270 O TYR A 19 -1.849 -7.720 1.861 1.00 0.00 O ATOM 271 CB TYR A 19 -1.222 -4.747 0.852 1.00 0.00 C ATOM 272 CG TYR A 19 -2.001 -3.487 1.148 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.387 -3.505 1.202 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.351 -2.283 1.372 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.105 -2.356 1.471 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.061 -1.129 1.642 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.437 -1.171 1.692 1.00 0.00 C ATOM 278 OH TYR A 19 -4.148 -0.024 1.959 1.00 0.00 O ATOM 0 H TYR A 19 0.841 -4.305 2.137 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.595 -5.374 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.311 -4.482 0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.811 -5.379 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.913 -4.432 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.272 -2.247 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.184 -2.386 1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.540 -0.199 1.813 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.940 0.655 1.283 1.00 0.00 H new ATOM 288 N CYS A 20 0.340 -7.533 1.377 1.00 0.00 N ATOM 289 CA CYS A 20 0.499 -8.939 1.028 1.00 0.00 C ATOM 290 C CYS A 20 0.266 -9.834 2.241 1.00 0.00 C ATOM 291 O CYS A 20 1.062 -9.845 3.179 1.00 0.00 O ATOM 292 CB CYS A 20 1.898 -9.183 0.455 1.00 0.00 C ATOM 293 SG CYS A 20 1.906 -10.083 -1.127 1.00 0.00 S ATOM 0 H CYS A 20 1.193 -6.980 1.295 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.246 -9.189 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.395 -8.223 0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.484 -9.744 1.183 1.00 0.00 H new ATOM 298 N ASN A 21 -0.831 -10.584 2.215 1.00 0.00 N ATOM 299 CA ASN A 21 -1.171 -11.484 3.313 1.00 0.00 C ATOM 300 C ASN A 21 -2.477 -12.221 3.027 1.00 0.00 C ATOM 301 O ASN A 21 -3.127 -11.981 2.010 1.00 0.00 O ATOM 302 CB ASN A 21 -1.290 -10.705 4.626 1.00 0.00 C ATOM 303 CG ASN A 21 -0.660 -11.439 5.792 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.271 -10.941 6.424 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.167 -12.632 6.085 1.00 0.00 N ATOM 0 H ASN A 21 -1.500 -10.587 1.445 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.371 -12.218 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.813 -9.732 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.342 -10.521 4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.784 -13.173 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.939 -13.007 5.534 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 11.408 2.353 -3.658 1.00 0.00 N ATOM 314 CA PHE B 1 11.198 3.070 -4.910 1.00 0.00 C ATOM 315 C PHE B 1 11.174 4.586 -4.669 1.00 0.00 C ATOM 316 O PHE B 1 11.862 5.085 -3.779 1.00 0.00 O ATOM 317 CB PHE B 1 9.899 2.588 -5.575 1.00 0.00 C ATOM 318 CG PHE B 1 8.644 3.175 -4.986 1.00 0.00 C ATOM 319 CD1 PHE B 1 8.546 3.432 -3.627 1.00 0.00 C ATOM 320 CD2 PHE B 1 7.563 3.473 -5.800 1.00 0.00 C ATOM 321 CE1 PHE B 1 7.394 3.976 -3.093 1.00 0.00 C ATOM 322 CE2 PHE B 1 6.408 4.015 -5.271 1.00 0.00 C ATOM 323 CZ PHE B 1 6.323 4.268 -3.916 1.00 0.00 C ATOM 0 H1 PHE B 1 12.177 1.663 -3.778 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.663 3.029 -2.909 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.534 1.855 -3.392 1.00 0.00 H new ATOM 0 HA PHE B 1 12.028 2.859 -5.585 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.936 2.832 -6.637 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.848 1.502 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.379 3.204 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.624 3.279 -6.861 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.330 4.173 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.572 4.241 -5.916 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.421 4.693 -3.500 1.00 0.00 H new ATOM 333 N VAL B 2 10.390 5.316 -5.463 1.00 0.00 N ATOM 334 CA VAL B 2 10.300 6.764 -5.322 1.00 0.00 C ATOM 335 C VAL B 2 9.383 7.154 -4.165 1.00 0.00 C ATOM 336 O VAL B 2 8.802 6.295 -3.502 1.00 0.00 O ATOM 337 CB VAL B 2 9.786 7.420 -6.620 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.600 6.946 -7.811 1.00 0.00 C ATOM 339 CG2 VAL B 2 8.307 7.121 -6.832 1.00 0.00 C ATOM 0 H VAL B 2 9.811 4.927 -6.207 1.00 0.00 H new ATOM 0 HA VAL B 2 11.307 7.125 -5.114 1.00 0.00 H new ATOM 0 HB VAL B 2 9.903 8.500 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.225 7.418 -8.719 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.646 7.216 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.514 5.863 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.969 7.595 -7.754 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.160 6.043 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.733 7.511 -5.992 1.00 0.00 H new ATOM 349 N ASN B 3 9.261 8.456 -3.930 1.00 0.00 N ATOM 350 CA ASN B 3 8.419 8.967 -2.855 1.00 0.00 C ATOM 351 C ASN B 3 7.549 10.118 -3.349 1.00 0.00 C ATOM 352 O ASN B 3 7.760 11.274 -2.982 1.00 0.00 O ATOM 353 CB ASN B 3 9.284 9.432 -1.681 1.00 0.00 C ATOM 354 CG ASN B 3 10.446 10.299 -2.127 1.00 0.00 C ATOM 355 OD1 ASN B 3 11.646 9.731 -2.118 1.00 0.00 O flip ATOM 356 ND2 ASN B 3 10.267 11.466 -2.477 1.00 0.00 N flip ATOM 0 H ASN B 3 9.736 9.178 -4.471 1.00 0.00 H new ATOM 0 HA ASN B 3 7.767 8.160 -2.520 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.667 9.990 -0.977 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.667 8.562 -1.148 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.327 11.863 -2.469 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.058 12.036 -2.775 1.00 0.00 H new ATOM 363 N GLN B 4 6.571 9.794 -4.188 1.00 0.00 N ATOM 364 CA GLN B 4 5.670 10.800 -4.739 1.00 0.00 C ATOM 365 C GLN B 4 4.220 10.324 -4.685 1.00 0.00 C ATOM 366 O GLN B 4 3.916 9.292 -4.080 1.00 0.00 O ATOM 367 CB GLN B 4 6.062 11.120 -6.183 1.00 0.00 C ATOM 368 CG GLN B 4 6.001 9.917 -7.109 1.00 0.00 C ATOM 369 CD GLN B 4 7.026 9.988 -8.224 1.00 0.00 C ATOM 370 OE1 GLN B 4 8.202 10.262 -7.986 1.00 0.00 O ATOM 371 NE2 GLN B 4 6.583 9.740 -9.452 1.00 0.00 N ATOM 0 H GLN B 4 6.382 8.842 -4.502 1.00 0.00 H new ATOM 0 HA GLN B 4 5.756 11.703 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.401 11.897 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.073 11.527 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.162 9.008 -6.529 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.003 9.846 -7.542 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.599 9.517 -9.604 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.227 9.773 -10.243 1.00 0.00 H new ATOM 380 N HIS B 5 3.331 11.080 -5.322 1.00 0.00 N ATOM 381 CA HIS B 5 1.914 10.738 -5.354 1.00 0.00 C ATOM 382 C HIS B 5 1.694 9.471 -6.170 1.00 0.00 C ATOM 383 O HIS B 5 2.219 9.335 -7.275 1.00 0.00 O ATOM 384 CB HIS B 5 1.097 11.889 -5.948 1.00 0.00 C ATOM 385 CG HIS B 5 1.527 13.241 -5.470 1.00 0.00 C ATOM 386 ND1 HIS B 5 1.780 14.296 -6.321 1.00 0.00 N ATOM 387 CD2 HIS B 5 1.747 13.709 -4.218 1.00 0.00 C ATOM 388 CE1 HIS B 5 2.139 15.354 -5.615 1.00 0.00 C ATOM 389 NE2 HIS B 5 2.126 15.024 -4.337 1.00 0.00 N ATOM 0 H HIS B 5 3.568 11.936 -5.824 1.00 0.00 H new ATOM 0 HA HIS B 5 1.581 10.563 -4.331 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.175 11.856 -7.035 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.046 11.743 -5.700 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.644 13.152 -3.298 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.399 16.323 -6.015 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.360 15.645 -3.563 1.00 0.00 H new ATOM 398 N LEU B 6 0.928 8.538 -5.617 1.00 0.00 N ATOM 399 CA LEU B 6 0.660 7.280 -6.294 1.00 0.00 C ATOM 400 C LEU B 6 -0.724 6.735 -5.944 1.00 0.00 C ATOM 401 O LEU B 6 -1.160 6.813 -4.798 1.00 0.00 O ATOM 402 CB LEU B 6 1.733 6.259 -5.909 1.00 0.00 C ATOM 403 CG LEU B 6 2.352 5.502 -7.078 1.00 0.00 C ATOM 404 CD1 LEU B 6 1.266 4.939 -7.975 1.00 0.00 C ATOM 405 CD2 LEU B 6 3.283 6.407 -7.868 1.00 0.00 C ATOM 0 H LEU B 6 0.484 8.631 -4.704 1.00 0.00 H new ATOM 0 HA LEU B 6 0.683 7.460 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.527 6.775 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.295 5.537 -5.219 1.00 0.00 H new ATOM 0 HG LEU B 6 2.938 4.673 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.723 4.401 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.638 4.257 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.655 5.754 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.715 5.849 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.722 7.257 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.081 6.765 -7.217 1.00 0.00 H new ATOM 417 N CYS B 7 -1.403 6.171 -6.938 1.00 0.00 N ATOM 418 CA CYS B 7 -2.728 5.597 -6.729 1.00 0.00 C ATOM 419 C CYS B 7 -3.222 4.874 -7.981 1.00 0.00 C ATOM 420 O CYS B 7 -2.496 4.756 -8.968 1.00 0.00 O ATOM 421 CB CYS B 7 -3.719 6.669 -6.293 1.00 0.00 C ATOM 422 SG CYS B 7 -3.587 8.249 -7.188 1.00 0.00 S ATOM 0 H CYS B 7 -1.058 6.099 -7.895 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.650 4.860 -5.930 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.730 6.281 -6.419 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.581 6.859 -5.229 1.00 0.00 H new HETATM 427 N DSN B 8 -4.459 4.387 -7.932 1.00 0.00 N HETATM 428 CA DSN B 8 -5.047 3.673 -9.055 1.00 0.00 C HETATM 429 C DSN B 8 -4.142 2.530 -9.522 1.00 0.00 C HETATM 430 O DSN B 8 -3.224 2.125 -8.809 1.00 0.00 O HETATM 431 CB DSN B 8 -6.371 3.017 -8.588 1.00 0.00 C HETATM 432 OG DSN B 8 -7.039 2.305 -9.636 1.00 0.00 O HETATM 0 HG DSN B 8 -7.866 1.910 -9.288 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -6.161 2.332 -7.766 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -7.035 3.788 -8.199 1.00 0.00 H new HETATM 0 HA DSN B 8 -5.195 4.388 -9.864 1.00 0.00 H new ATOM 438 N SER B 9 -4.410 2.010 -10.719 1.00 0.00 N ATOM 439 CA SER B 9 -3.628 0.910 -11.281 1.00 0.00 C ATOM 440 C SER B 9 -2.125 1.146 -11.121 1.00 0.00 C ATOM 441 O SER B 9 -1.345 0.197 -11.038 1.00 0.00 O ATOM 442 CB SER B 9 -3.970 0.723 -12.760 1.00 0.00 C ATOM 443 OG SER B 9 -3.485 1.805 -13.536 1.00 0.00 O ATOM 0 H SER B 9 -5.167 2.335 -11.321 1.00 0.00 H new ATOM 0 HA SER B 9 -3.886 0.006 -10.730 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.538 -0.210 -13.121 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.050 0.641 -12.879 1.00 0.00 H new ATOM 0 HG SER B 9 -3.715 1.661 -14.478 1.00 0.00 H new ATOM 449 N ASP B 10 -1.729 2.413 -11.074 1.00 0.00 N ATOM 450 CA ASP B 10 -0.322 2.766 -10.916 1.00 0.00 C ATOM 451 C ASP B 10 0.173 2.333 -9.545 1.00 0.00 C ATOM 452 O ASP B 10 1.149 1.591 -9.425 1.00 0.00 O ATOM 453 CB ASP B 10 -0.125 4.273 -11.093 1.00 0.00 C ATOM 454 CG ASP B 10 -0.172 4.696 -12.549 1.00 0.00 C ATOM 455 OD1 ASP B 10 -1.119 4.290 -13.255 1.00 0.00 O ATOM 456 OD2 ASP B 10 0.738 5.433 -12.982 1.00 0.00 O ATOM 0 H ASP B 10 -2.360 3.211 -11.143 1.00 0.00 H new ATOM 0 HA ASP B 10 0.255 2.248 -11.682 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.898 4.805 -10.538 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.834 4.564 -10.664 1.00 0.00 H new ATOM 461 N LEU B 11 -0.523 2.789 -8.511 1.00 0.00 N ATOM 462 CA LEU B 11 -0.185 2.443 -7.137 1.00 0.00 C ATOM 463 C LEU B 11 -0.195 0.941 -6.968 1.00 0.00 C ATOM 464 O LEU B 11 0.678 0.363 -6.320 1.00 0.00 O ATOM 465 CB LEU B 11 -1.190 3.097 -6.192 1.00 0.00 C ATOM 466 CG LEU B 11 -1.375 2.434 -4.825 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.639 3.217 -3.764 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.848 2.347 -4.473 1.00 0.00 C ATOM 0 H LEU B 11 -1.332 3.404 -8.600 1.00 0.00 H new ATOM 0 HA LEU B 11 0.814 2.808 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.884 4.131 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.159 3.125 -6.691 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.966 1.425 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.777 2.736 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.423 3.247 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.031 4.233 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.962 1.873 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.274 3.350 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.368 1.756 -5.227 1.00 0.00 H new ATOM 480 N VAL B 12 -1.192 0.320 -7.563 1.00 0.00 N ATOM 481 CA VAL B 12 -1.334 -1.112 -7.496 1.00 0.00 C ATOM 482 C VAL B 12 -0.097 -1.793 -8.062 1.00 0.00 C ATOM 483 O VAL B 12 0.461 -2.701 -7.450 1.00 0.00 O ATOM 484 CB VAL B 12 -2.597 -1.556 -8.264 1.00 0.00 C ATOM 485 CG1 VAL B 12 -2.375 -2.847 -9.038 1.00 0.00 C ATOM 486 CG2 VAL B 12 -3.757 -1.690 -7.303 1.00 0.00 C ATOM 0 H VAL B 12 -1.919 0.792 -8.101 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.440 -1.407 -6.452 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.830 -0.788 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.291 -3.119 -9.562 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.572 -2.704 -9.761 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.102 -3.644 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.647 -2.004 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.516 -2.434 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.945 -0.729 -6.823 1.00 0.00 H new ATOM 496 N GLU B 13 0.335 -1.330 -9.228 1.00 0.00 N ATOM 497 CA GLU B 13 1.524 -1.878 -9.873 1.00 0.00 C ATOM 498 C GLU B 13 2.665 -1.961 -8.867 1.00 0.00 C ATOM 499 O GLU B 13 3.450 -2.909 -8.873 1.00 0.00 O ATOM 500 CB GLU B 13 1.934 -1.016 -11.069 1.00 0.00 C ATOM 501 CG GLU B 13 1.119 -1.288 -12.323 1.00 0.00 C ATOM 502 CD GLU B 13 1.478 -2.607 -12.978 1.00 0.00 C ATOM 503 OE1 GLU B 13 1.237 -3.663 -12.356 1.00 0.00 O ATOM 504 OE2 GLU B 13 2.002 -2.584 -14.111 1.00 0.00 O ATOM 0 H GLU B 13 -0.118 -0.578 -9.747 1.00 0.00 H new ATOM 0 HA GLU B 13 1.295 -2.880 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.832 0.035 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.988 -1.189 -11.286 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.059 -1.289 -12.069 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.275 -0.478 -13.036 1.00 0.00 H new ATOM 511 N ALA B 14 2.727 -0.967 -7.984 1.00 0.00 N ATOM 512 CA ALA B 14 3.743 -0.930 -6.944 1.00 0.00 C ATOM 513 C ALA B 14 3.408 -1.948 -5.861 1.00 0.00 C ATOM 514 O ALA B 14 4.222 -2.807 -5.526 1.00 0.00 O ATOM 515 CB ALA B 14 3.847 0.471 -6.358 1.00 0.00 C ATOM 0 H ALA B 14 2.083 -0.176 -7.971 1.00 0.00 H new ATOM 0 HA ALA B 14 4.710 -1.188 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.611 0.484 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.117 1.175 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.887 0.758 -5.928 1.00 0.00 H new ATOM 521 N LEU B 15 2.188 -1.854 -5.333 1.00 0.00 N ATOM 522 CA LEU B 15 1.718 -2.772 -4.308 1.00 0.00 C ATOM 523 C LEU B 15 1.927 -4.217 -4.750 1.00 0.00 C ATOM 524 O LEU B 15 2.374 -5.059 -3.973 1.00 0.00 O ATOM 525 CB LEU B 15 0.234 -2.519 -4.033 1.00 0.00 C ATOM 526 CG LEU B 15 -0.223 -2.834 -2.612 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.702 -2.517 -2.435 1.00 0.00 C ATOM 528 CD2 LEU B 15 0.057 -4.290 -2.296 1.00 0.00 C ATOM 0 H LEU B 15 1.507 -1.145 -5.604 1.00 0.00 H new ATOM 0 HA LEU B 15 2.289 -2.603 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.014 -1.473 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.356 -3.116 -4.729 1.00 0.00 H new ATOM 0 HG LEU B 15 0.335 -2.208 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.004 -2.750 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.873 -1.459 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.288 -3.115 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.271 -4.511 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.483 -4.925 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.127 -4.482 -2.382 1.00 0.00 H new ATOM 540 N TYR B 16 1.602 -4.485 -6.011 1.00 0.00 N ATOM 541 CA TYR B 16 1.748 -5.818 -6.583 1.00 0.00 C ATOM 542 C TYR B 16 3.220 -6.208 -6.683 1.00 0.00 C ATOM 543 O TYR B 16 3.566 -7.388 -6.609 1.00 0.00 O ATOM 544 CB TYR B 16 1.099 -5.862 -7.969 1.00 0.00 C ATOM 545 CG TYR B 16 -0.053 -6.836 -8.074 1.00 0.00 C ATOM 546 CD1 TYR B 16 0.085 -8.150 -7.652 1.00 0.00 C ATOM 547 CD2 TYR B 16 -1.278 -6.438 -8.595 1.00 0.00 C ATOM 548 CE1 TYR B 16 -0.963 -9.045 -7.746 1.00 0.00 C ATOM 549 CE2 TYR B 16 -2.333 -7.326 -8.692 1.00 0.00 C ATOM 550 CZ TYR B 16 -2.171 -8.628 -8.267 1.00 0.00 C ATOM 551 OH TYR B 16 -3.216 -9.516 -8.364 1.00 0.00 O ATOM 0 H TYR B 16 1.233 -3.790 -6.660 1.00 0.00 H new ATOM 0 HA TYR B 16 1.249 -6.532 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.743 -4.864 -8.225 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.856 -6.129 -8.706 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.029 -8.479 -7.243 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.408 -5.419 -8.929 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.838 -10.065 -7.414 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.280 -7.002 -9.099 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.995 -9.064 -8.751 1.00 0.00 H new ATOM 561 N LEU B 17 4.082 -5.211 -6.853 1.00 0.00 N ATOM 562 CA LEU B 17 5.516 -5.449 -6.968 1.00 0.00 C ATOM 563 C LEU B 17 6.078 -6.015 -5.668 1.00 0.00 C ATOM 564 O LEU B 17 6.527 -7.161 -5.623 1.00 0.00 O ATOM 565 CB LEU B 17 6.240 -4.151 -7.334 1.00 0.00 C ATOM 566 CG LEU B 17 6.903 -4.147 -8.713 1.00 0.00 C ATOM 567 CD1 LEU B 17 5.882 -4.448 -9.798 1.00 0.00 C ATOM 568 CD2 LEU B 17 7.580 -2.810 -8.972 1.00 0.00 C ATOM 0 H LEU B 17 3.812 -4.229 -6.914 1.00 0.00 H new ATOM 0 HA LEU B 17 5.678 -6.181 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.526 -3.329 -7.289 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.002 -3.953 -6.580 1.00 0.00 H new ATOM 0 HG LEU B 17 7.663 -4.928 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.373 -4.441 -10.771 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.442 -5.429 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.099 -3.690 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.047 -2.823 -9.957 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.838 -2.013 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.341 -2.634 -8.212 1.00 0.00 H new ATOM 580 N VAL B 18 6.050 -5.208 -4.615 1.00 0.00 N ATOM 581 CA VAL B 18 6.557 -5.635 -3.316 1.00 0.00 C ATOM 582 C VAL B 18 5.778 -6.835 -2.800 1.00 0.00 C ATOM 583 O VAL B 18 6.347 -7.760 -2.221 1.00 0.00 O ATOM 584 CB VAL B 18 6.495 -4.494 -2.283 1.00 0.00 C ATOM 585 CG1 VAL B 18 7.398 -3.359 -2.716 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.071 -3.994 -2.090 1.00 0.00 C ATOM 0 H VAL B 18 5.683 -4.257 -4.634 1.00 0.00 H new ATOM 0 HA VAL B 18 7.600 -5.918 -3.454 1.00 0.00 H new ATOM 0 HB VAL B 18 6.840 -4.884 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.350 -2.555 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL B 18 8.424 -3.719 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.072 -2.984 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.064 -3.189 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.684 -3.622 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.443 -4.812 -1.738 1.00 0.00 H new ATOM 596 N CYS B 19 4.473 -6.813 -3.025 1.00 0.00 N ATOM 597 CA CYS B 19 3.603 -7.904 -2.595 1.00 0.00 C ATOM 598 C CYS B 19 3.880 -9.167 -3.406 1.00 0.00 C ATOM 599 O CYS B 19 4.529 -10.097 -2.923 1.00 0.00 O ATOM 600 CB CYS B 19 2.132 -7.499 -2.740 1.00 0.00 C ATOM 601 SG CYS B 19 0.933 -8.835 -2.400 1.00 0.00 S ATOM 0 H CYS B 19 3.990 -6.052 -3.503 1.00 0.00 H new ATOM 0 HA CYS B 19 3.811 -8.114 -1.546 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.930 -6.668 -2.064 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.969 -7.133 -3.753 1.00 0.00 H new ATOM 606 N GLY B 20 3.385 -9.194 -4.640 1.00 0.00 N ATOM 607 CA GLY B 20 3.588 -10.347 -5.498 1.00 0.00 C ATOM 608 C GLY B 20 2.282 -10.986 -5.928 1.00 0.00 C ATOM 609 O GLY B 20 1.216 -10.387 -5.790 1.00 0.00 O ATOM 0 H GLY B 20 2.846 -8.437 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.149 -10.044 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.194 -11.085 -4.973 1.00 0.00 H new ATOM 613 N GLU B 21 2.365 -12.203 -6.453 1.00 0.00 N ATOM 614 CA GLU B 21 1.179 -12.923 -6.905 1.00 0.00 C ATOM 615 C GLU B 21 0.391 -13.487 -5.724 1.00 0.00 C ATOM 616 O GLU B 21 -0.764 -13.886 -5.874 1.00 0.00 O ATOM 617 CB GLU B 21 1.575 -14.055 -7.855 1.00 0.00 C ATOM 618 CG GLU B 21 2.487 -13.609 -8.986 1.00 0.00 C ATOM 619 CD GLU B 21 3.665 -14.544 -9.187 1.00 0.00 C ATOM 620 OE1 GLU B 21 4.642 -14.442 -8.415 1.00 0.00 O ATOM 621 OE2 GLU B 21 3.610 -15.376 -10.116 1.00 0.00 O ATOM 0 H GLU B 21 3.240 -12.712 -6.576 1.00 0.00 H new ATOM 0 HA GLU B 21 0.541 -12.216 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.074 -14.839 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.672 -14.495 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.912 -13.551 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.856 -12.605 -8.776 1.00 0.00 H new ATOM 628 N ARG B 22 1.019 -13.521 -4.550 1.00 0.00 N ATOM 629 CA ARG B 22 0.370 -14.038 -3.349 1.00 0.00 C ATOM 630 C ARG B 22 -0.973 -13.353 -3.111 1.00 0.00 C ATOM 631 O ARG B 22 -1.898 -13.952 -2.561 1.00 0.00 O ATOM 632 CB ARG B 22 1.278 -13.844 -2.132 1.00 0.00 C ATOM 633 CG ARG B 22 2.063 -15.090 -1.753 1.00 0.00 C ATOM 634 CD ARG B 22 1.487 -15.759 -0.514 1.00 0.00 C ATOM 635 NE ARG B 22 0.032 -15.871 -0.579 1.00 0.00 N ATOM 636 CZ ARG B 22 -0.610 -16.798 -1.286 1.00 0.00 C ATOM 637 NH1 ARG B 22 0.070 -17.693 -1.991 1.00 0.00 N ATOM 638 NH2 ARG B 22 -1.936 -16.831 -1.285 1.00 0.00 N ATOM 0 H ARG B 22 1.975 -13.197 -4.406 1.00 0.00 H new ATOM 0 HA ARG B 22 0.189 -15.103 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.977 -13.033 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.670 -13.535 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.053 -15.794 -2.585 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.105 -14.824 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.922 -16.752 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.767 -15.187 0.370 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.525 -15.199 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.090 -17.673 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.427 -18.401 -2.531 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.463 -16.146 -0.743 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.429 -17.541 -1.827 1.00 0.00 H new ATOM 652 N GLY B 23 -1.073 -12.096 -3.528 1.00 0.00 N ATOM 653 CA GLY B 23 -2.307 -11.351 -3.353 1.00 0.00 C ATOM 654 C GLY B 23 -2.231 -10.368 -2.202 1.00 0.00 C ATOM 655 O GLY B 23 -1.486 -10.576 -1.245 1.00 0.00 O ATOM 0 H GLY B 23 -0.322 -11.579 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.536 -10.812 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.127 -12.048 -3.179 1.00 0.00 H new ATOM 659 N PHE B 24 -3.008 -9.294 -2.295 1.00 0.00 N ATOM 660 CA PHE B 24 -3.028 -8.274 -1.254 1.00 0.00 C ATOM 661 C PHE B 24 -4.453 -8.002 -0.787 1.00 0.00 C ATOM 662 O PHE B 24 -5.399 -8.644 -1.244 1.00 0.00 O ATOM 663 CB PHE B 24 -2.392 -6.978 -1.759 1.00 0.00 C ATOM 664 CG PHE B 24 -2.737 -6.645 -3.182 1.00 0.00 C ATOM 665 CD1 PHE B 24 -4.058 -6.530 -3.579 1.00 0.00 C ATOM 666 CD2 PHE B 24 -1.738 -6.443 -4.120 1.00 0.00 C ATOM 667 CE1 PHE B 24 -4.379 -6.220 -4.887 1.00 0.00 C ATOM 668 CE2 PHE B 24 -2.052 -6.133 -5.428 1.00 0.00 C ATOM 669 CZ PHE B 24 -3.374 -6.020 -5.813 1.00 0.00 C ATOM 0 H PHE B 24 -3.632 -9.108 -3.080 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.449 -8.647 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.708 -6.156 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.309 -7.056 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.847 -6.684 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.703 -6.529 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.414 -6.134 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.264 -5.979 -6.150 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.621 -5.776 -6.836 1.00 0.00 H new ATOM 679 N PHE B 25 -4.601 -7.046 0.125 1.00 0.00 N ATOM 680 CA PHE B 25 -5.914 -6.691 0.650 1.00 0.00 C ATOM 681 C PHE B 25 -6.263 -5.238 0.336 1.00 0.00 C ATOM 682 O PHE B 25 -7.165 -4.662 0.945 1.00 0.00 O ATOM 683 CB PHE B 25 -5.964 -6.931 2.158 1.00 0.00 C ATOM 684 CG PHE B 25 -6.214 -8.366 2.518 1.00 0.00 C ATOM 685 CD1 PHE B 25 -7.226 -9.081 1.896 1.00 0.00 C ATOM 686 CD2 PHE B 25 -5.437 -9.004 3.470 1.00 0.00 C ATOM 687 CE1 PHE B 25 -7.458 -10.404 2.218 1.00 0.00 C ATOM 688 CE2 PHE B 25 -5.665 -10.327 3.797 1.00 0.00 C ATOM 689 CZ PHE B 25 -6.677 -11.028 3.171 1.00 0.00 C ATOM 0 H PHE B 25 -3.829 -6.505 0.515 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.653 -7.328 0.163 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.022 -6.610 2.602 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.749 -6.312 2.593 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.840 -8.598 1.151 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.644 -8.461 3.963 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.249 -10.950 1.725 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.052 -10.813 4.542 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.857 -12.062 3.426 1.00 0.00 H new ATOM 699 N TYR B 26 -5.556 -4.655 -0.627 1.00 0.00 N ATOM 700 CA TYR B 26 -5.806 -3.277 -1.031 1.00 0.00 C ATOM 701 C TYR B 26 -7.010 -3.222 -1.962 1.00 0.00 C ATOM 702 O TYR B 26 -6.860 -3.124 -3.180 1.00 0.00 O ATOM 703 CB TYR B 26 -4.572 -2.698 -1.731 1.00 0.00 C ATOM 704 CG TYR B 26 -4.849 -1.425 -2.497 1.00 0.00 C ATOM 705 CD1 TYR B 26 -5.568 -0.390 -1.916 1.00 0.00 C ATOM 706 CD2 TYR B 26 -4.404 -1.264 -3.804 1.00 0.00 C ATOM 707 CE1 TYR B 26 -5.836 0.772 -2.612 1.00 0.00 C ATOM 708 CE2 TYR B 26 -4.669 -0.105 -4.508 1.00 0.00 C ATOM 709 CZ TYR B 26 -5.387 0.909 -3.908 1.00 0.00 C ATOM 710 OH TYR B 26 -5.654 2.064 -4.606 1.00 0.00 O ATOM 0 H TYR B 26 -4.806 -5.116 -1.142 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.015 -2.680 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.801 -2.503 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.171 -3.444 -2.417 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.924 -0.495 -0.902 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.843 -2.057 -4.276 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.394 1.569 -2.144 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.316 0.007 -5.523 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.878 1.841 -5.534 1.00 0.00 H new ATOM 720 N THR B 27 -8.205 -3.306 -1.391 1.00 0.00 N ATOM 721 CA THR B 27 -9.418 -3.285 -2.185 1.00 0.00 C ATOM 722 C THR B 27 -10.546 -2.567 -1.432 1.00 0.00 C ATOM 723 O THR B 27 -10.427 -1.383 -1.115 1.00 0.00 O ATOM 724 CB THR B 27 -9.794 -4.726 -2.561 1.00 0.00 C ATOM 725 OG1 THR B 27 -10.540 -5.348 -1.530 1.00 0.00 O ATOM 726 CG2 THR B 27 -8.585 -5.603 -2.827 1.00 0.00 C ATOM 0 H THR B 27 -8.356 -3.389 -0.386 1.00 0.00 H new ATOM 0 HA THR B 27 -9.252 -2.723 -3.104 1.00 0.00 H new ATOM 0 HB THR B 27 -10.383 -4.636 -3.473 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.258 -5.886 -1.925 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.915 -6.609 -3.088 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.007 -5.186 -3.652 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.963 -5.646 -1.933 1.00 0.00 H new ATOM 734 N LYS B 28 -11.637 -3.274 -1.152 1.00 0.00 N ATOM 735 CA LYS B 28 -12.771 -2.700 -0.450 1.00 0.00 C ATOM 736 C LYS B 28 -13.916 -3.708 -0.349 1.00 0.00 C ATOM 737 O LYS B 28 -14.995 -3.496 -0.907 1.00 0.00 O ATOM 738 CB LYS B 28 -13.247 -1.441 -1.167 1.00 0.00 C ATOM 739 CG LYS B 28 -13.150 -1.509 -2.686 1.00 0.00 C ATOM 740 CD LYS B 28 -13.770 -2.783 -3.238 1.00 0.00 C ATOM 741 CE LYS B 28 -13.575 -2.889 -4.742 1.00 0.00 C ATOM 742 NZ LYS B 28 -12.160 -3.183 -5.101 1.00 0.00 N ATOM 0 H LYS B 28 -11.756 -4.255 -1.405 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.453 -2.439 0.559 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.283 -1.249 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.660 -0.593 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.651 -0.644 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.103 -1.455 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.322 -3.648 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.835 -2.801 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.220 -3.674 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.883 -1.956 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.856 -2.546 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.554 -3.040 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.081 -4.169 -5.421 1.00 0.00 H new ATOM 756 N PRO B 29 -13.699 -4.825 0.366 1.00 0.00 N ATOM 757 CA PRO B 29 -14.721 -5.865 0.534 1.00 0.00 C ATOM 758 C PRO B 29 -15.870 -5.415 1.431 1.00 0.00 C ATOM 759 O PRO B 29 -16.971 -5.961 1.364 1.00 0.00 O ATOM 760 CB PRO B 29 -13.951 -7.015 1.185 1.00 0.00 C ATOM 761 CG PRO B 29 -12.820 -6.357 1.898 1.00 0.00 C ATOM 762 CD PRO B 29 -12.446 -5.161 1.068 1.00 0.00 C ATOM 0 HA PRO B 29 -15.191 -6.130 -0.413 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.583 -7.574 1.875 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -13.590 -7.723 0.439 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.115 -6.057 2.904 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.976 -7.038 2.003 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.099 -4.334 1.688 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.643 -5.393 0.368 1.00 0.00 H new ATOM 770 N THR B 30 -15.608 -4.418 2.269 1.00 0.00 N ATOM 771 CA THR B 30 -16.624 -3.899 3.178 1.00 0.00 C ATOM 772 C THR B 30 -16.418 -2.410 3.435 1.00 0.00 C ATOM 773 O THR B 30 -17.371 -1.636 3.214 1.00 0.00 O ATOM 774 CB THR B 30 -16.595 -4.668 4.501 1.00 0.00 C ATOM 775 OG1 THR B 30 -15.957 -5.922 4.339 1.00 0.00 O ATOM 776 CG2 THR B 30 -17.972 -4.924 5.072 1.00 0.00 C ATOM 777 OXT THR B 30 -15.304 -2.031 3.858 1.00 0.00 O ATOM 0 H THR B 30 -14.702 -3.954 2.338 1.00 0.00 H new ATOM 0 HA THR B 30 -17.598 -4.034 2.709 1.00 0.00 H new ATOM 0 HB THR B 30 -16.044 -4.032 5.193 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.947 -6.397 5.196 1.00 0.00 H new ATOM 0 HG21 THR B 30 -17.881 -5.473 6.009 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.472 -3.973 5.255 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.556 -5.511 4.363 1.00 0.00 H new TER 785 THR B 30