USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 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 H : B 8 DSN N : B 7 CYS C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= -0.403 K(o=-0.58,f=-3.9!) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.177 K(o=-0.58,f=1) 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= 0.582 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 18 ASN : amide:sc= -6.71! C(o=-6.7!,f=-3.4!) USER MOD Single : A 19 TYR OH : rot -32:sc= -0.412 USER MOD Single : A 21 ASN : amide:sc= -0.0312 K(o=-0.031,f=-0.86) USER MOD Single : B 1 PHE N :NH3+ -147:sc= 0.958 (180deg=-0.133) USER MOD Single : B 3 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : B 4 GLN : amide:sc= 0.0261 K(o=0.026,f=-1.5) USER MOD Single : B 5 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-0.88) USER MOD Single : B 8 DSN OG : rot 180:sc= 0 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 -30:sc= -16.6! USER MOD Single : B 27 THR OG1 : rot 145:sc= -1.25 USER MOD Single : B 28 LYS NZ :NH3+ -153:sc= -0.0446 (180deg=-0.402) USER MOD Single : B 30 THR OG1 : rot 29:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.680 5.477 3.520 1.00 0.00 N ATOM 2 CA GLY A 1 -8.418 6.158 3.918 1.00 0.00 C ATOM 3 C GLY A 1 -7.305 5.178 4.236 1.00 0.00 C ATOM 4 O GLY A 1 -6.633 5.302 5.260 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.409 6.190 3.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.510 4.899 2.672 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.004 4.865 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.097 6.819 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.606 6.785 4.790 1.00 0.00 H new ATOM 10 N ILE A 2 -7.107 4.203 3.355 1.00 0.00 N ATOM 11 CA ILE A 2 -6.066 3.199 3.548 1.00 0.00 C ATOM 12 C ILE A 2 -4.750 3.651 2.907 1.00 0.00 C ATOM 13 O ILE A 2 -3.822 4.061 3.605 1.00 0.00 O ATOM 14 CB ILE A 2 -6.509 1.803 3.018 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.297 0.889 2.748 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.403 1.933 1.787 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.063 0.560 1.285 1.00 0.00 C ATOM 0 H ILE A 2 -7.653 4.086 2.501 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.899 3.094 4.620 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.101 1.329 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.402 1.368 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.432 -0.042 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.694 0.941 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.295 2.504 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.859 2.447 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.191 -0.087 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.938 0.049 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.892 1.481 0.728 1.00 0.00 H new ATOM 29 N VAL A 3 -4.678 3.593 1.583 1.00 0.00 N ATOM 30 CA VAL A 3 -3.483 4.015 0.858 1.00 0.00 C ATOM 31 C VAL A 3 -3.569 5.495 0.493 1.00 0.00 C ATOM 32 O VAL A 3 -3.167 5.903 -0.598 1.00 0.00 O ATOM 33 CB VAL A 3 -3.283 3.192 -0.428 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.431 3.423 -1.403 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.946 3.534 -1.065 1.00 0.00 C ATOM 0 H VAL A 3 -5.434 3.257 0.987 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.632 3.848 1.518 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.279 2.133 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.268 2.831 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.370 3.123 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.478 4.480 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.815 2.946 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.922 4.595 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.141 3.306 -0.366 1.00 0.00 H new ATOM 45 N GLU A 4 -4.114 6.293 1.405 1.00 0.00 N ATOM 46 CA GLU A 4 -4.277 7.725 1.181 1.00 0.00 C ATOM 47 C GLU A 4 -3.024 8.361 0.578 1.00 0.00 C ATOM 48 O GLU A 4 -3.051 8.827 -0.555 1.00 0.00 O ATOM 49 CB GLU A 4 -4.647 8.435 2.488 1.00 0.00 C ATOM 50 CG GLU A 4 -3.874 7.944 3.703 1.00 0.00 C ATOM 51 CD GLU A 4 -4.746 7.810 4.937 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.975 7.648 4.782 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.200 7.867 6.058 1.00 0.00 O ATOM 0 H GLU A 4 -4.452 5.970 2.311 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.087 7.846 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.474 9.505 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.713 8.303 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.423 6.978 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.058 8.635 3.913 1.00 0.00 H new ATOM 60 N GLN A 5 -1.937 8.386 1.349 1.00 0.00 N ATOM 61 CA GLN A 5 -0.674 8.986 0.909 1.00 0.00 C ATOM 62 C GLN A 5 -0.356 8.696 -0.560 1.00 0.00 C ATOM 63 O GLN A 5 -0.294 9.611 -1.379 1.00 0.00 O ATOM 64 CB GLN A 5 0.475 8.487 1.788 1.00 0.00 C ATOM 65 CG GLN A 5 0.340 8.879 3.250 1.00 0.00 C ATOM 66 CD GLN A 5 1.586 8.565 4.054 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.661 8.350 3.495 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.447 8.534 5.374 1.00 0.00 N ATOM 0 H GLN A 5 -1.905 7.994 2.290 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.787 10.066 1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.531 7.401 1.716 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.415 8.881 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.127 9.946 3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.511 8.356 3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.537 8.719 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.251 8.326 5.967 1.00 0.00 H new ATOM 77 N CYS A 6 -0.131 7.431 -0.882 1.00 0.00 N ATOM 78 CA CYS A 6 0.203 7.041 -2.248 1.00 0.00 C ATOM 79 C CYS A 6 -0.919 7.383 -3.214 1.00 0.00 C ATOM 80 O CYS A 6 -0.687 8.017 -4.242 1.00 0.00 O ATOM 81 CB CYS A 6 0.532 5.545 -2.301 1.00 0.00 C ATOM 82 SG CYS A 6 2.283 5.154 -1.980 1.00 0.00 S ATOM 0 H CYS A 6 -0.173 6.657 -0.219 1.00 0.00 H new ATOM 0 HA CYS A 6 1.082 7.606 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.085 5.022 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.259 5.159 -3.283 1.00 0.00 H new ATOM 87 N CYS A 7 -2.127 6.958 -2.895 1.00 0.00 N ATOM 88 CA CYS A 7 -3.260 7.220 -3.760 1.00 0.00 C ATOM 89 C CYS A 7 -3.667 8.701 -3.778 1.00 0.00 C ATOM 90 O CYS A 7 -4.557 9.084 -4.537 1.00 0.00 O ATOM 91 CB CYS A 7 -4.443 6.357 -3.343 1.00 0.00 C ATOM 92 SG CYS A 7 -5.273 5.495 -4.718 1.00 0.00 S ATOM 0 H CYS A 7 -2.348 6.433 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.953 6.964 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.099 5.616 -2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.172 6.985 -2.832 1.00 0.00 H new ATOM 97 N THR A 8 -3.041 9.538 -2.944 1.00 0.00 N ATOM 98 CA THR A 8 -3.396 10.955 -2.902 1.00 0.00 C ATOM 99 C THR A 8 -2.238 11.859 -3.335 1.00 0.00 C ATOM 100 O THR A 8 -2.419 12.751 -4.165 1.00 0.00 O ATOM 101 CB THR A 8 -3.857 11.339 -1.495 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.542 12.578 -1.512 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.719 11.456 -0.505 1.00 0.00 C ATOM 0 H THR A 8 -2.299 9.263 -2.300 1.00 0.00 H new ATOM 0 HA THR A 8 -4.210 11.105 -3.612 1.00 0.00 H new ATOM 0 HB THR A 8 -4.514 10.530 -1.175 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.830 12.805 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.114 11.731 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.201 10.500 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.021 12.222 -0.842 1.00 0.00 H new ATOM 111 N SER A 9 -1.056 11.644 -2.760 1.00 0.00 N ATOM 112 CA SER A 9 0.104 12.465 -3.087 1.00 0.00 C ATOM 113 C SER A 9 1.376 11.627 -3.192 1.00 0.00 C ATOM 114 O SER A 9 1.752 11.199 -4.277 1.00 0.00 O ATOM 115 CB SER A 9 0.284 13.568 -2.041 1.00 0.00 C ATOM 116 OG SER A 9 0.501 13.020 -0.752 1.00 0.00 O ATOM 0 H SER A 9 -0.879 10.913 -2.071 1.00 0.00 H new ATOM 0 HA SER A 9 -0.076 12.919 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.128 14.201 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.600 14.205 -2.024 1.00 0.00 H new ATOM 0 HG SER A 9 0.615 13.745 -0.103 1.00 0.00 H new ATOM 122 N ILE A 10 2.045 11.400 -2.068 1.00 0.00 N ATOM 123 CA ILE A 10 3.277 10.620 -2.075 1.00 0.00 C ATOM 124 C ILE A 10 3.397 9.739 -0.840 1.00 0.00 C ATOM 125 O ILE A 10 3.119 10.175 0.277 1.00 0.00 O ATOM 126 CB ILE A 10 4.517 11.534 -2.162 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.403 12.473 -3.364 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.789 10.703 -2.254 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.720 13.784 -3.043 1.00 0.00 C ATOM 0 H ILE A 10 1.760 11.740 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 10 3.233 9.983 -2.958 1.00 0.00 H new ATOM 0 HB ILE A 10 4.566 12.136 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.401 12.678 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.851 11.969 -4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.653 11.365 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.877 10.073 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.750 10.075 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.674 14.400 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.709 13.589 -2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.284 14.309 -2.272 1.00 0.00 H new ATOM 141 N CYS A 11 3.826 8.497 -1.048 1.00 0.00 N ATOM 142 CA CYS A 11 3.995 7.560 0.065 1.00 0.00 C ATOM 143 C CYS A 11 5.040 6.492 -0.258 1.00 0.00 C ATOM 144 O CYS A 11 5.618 6.481 -1.344 1.00 0.00 O ATOM 145 CB CYS A 11 2.641 6.936 0.452 1.00 0.00 C ATOM 146 SG CYS A 11 2.428 5.169 0.041 1.00 0.00 S ATOM 0 H CYS A 11 4.061 8.117 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 11 4.367 8.115 0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.501 7.058 1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.849 7.501 -0.040 1.00 0.00 H new ATOM 151 N SER A 12 5.295 5.607 0.707 1.00 0.00 N ATOM 152 CA SER A 12 6.290 4.553 0.537 1.00 0.00 C ATOM 153 C SER A 12 5.658 3.207 0.182 1.00 0.00 C ATOM 154 O SER A 12 4.618 2.812 0.722 1.00 0.00 O ATOM 155 CB SER A 12 7.126 4.410 1.811 1.00 0.00 C ATOM 156 OG SER A 12 8.287 5.220 1.752 1.00 0.00 O ATOM 0 H SER A 12 4.826 5.601 1.613 1.00 0.00 H new ATOM 0 HA SER A 12 6.928 4.846 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.526 4.691 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.413 3.367 1.947 1.00 0.00 H new ATOM 0 HG SER A 12 8.803 5.112 2.578 1.00 0.00 H new ATOM 162 N LEU A 13 6.313 2.493 -0.725 1.00 0.00 N ATOM 163 CA LEU A 13 5.842 1.185 -1.149 1.00 0.00 C ATOM 164 C LEU A 13 5.681 0.262 0.051 1.00 0.00 C ATOM 165 O LEU A 13 4.804 -0.599 0.071 1.00 0.00 O ATOM 166 CB LEU A 13 6.819 0.568 -2.146 1.00 0.00 C ATOM 167 CG LEU A 13 7.861 -0.367 -1.534 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.302 -1.398 -2.546 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.042 0.430 -1.007 1.00 0.00 C ATOM 0 H LEU A 13 7.173 2.800 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 13 4.872 1.310 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.251 0.015 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.337 1.372 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 13 7.411 -0.895 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.044 -2.056 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.441 -1.986 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.739 -0.897 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.776 -0.250 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.500 0.985 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.698 1.127 -0.243 1.00 0.00 H new ATOM 181 N TYR A 14 6.537 0.448 1.054 1.00 0.00 N ATOM 182 CA TYR A 14 6.478 -0.369 2.258 1.00 0.00 C ATOM 183 C TYR A 14 5.048 -0.384 2.779 1.00 0.00 C ATOM 184 O TYR A 14 4.563 -1.391 3.294 1.00 0.00 O ATOM 185 CB TYR A 14 7.453 0.175 3.318 1.00 0.00 C ATOM 186 CG TYR A 14 6.864 0.309 4.708 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.486 -0.813 5.436 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.686 1.558 5.290 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.948 -0.693 6.704 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.149 1.686 6.556 1.00 0.00 C ATOM 191 CZ TYR A 14 5.781 0.558 7.259 1.00 0.00 C ATOM 192 OH TYR A 14 5.246 0.682 8.521 1.00 0.00 O ATOM 0 H TYR A 14 7.274 1.153 1.055 1.00 0.00 H new ATOM 0 HA TYR A 14 6.778 -1.391 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.320 -0.484 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.813 1.152 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.615 -1.795 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.972 2.444 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.660 -1.575 7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.018 2.665 6.993 1.00 0.00 H new ATOM 0 HH TYR A 14 5.197 1.630 8.764 1.00 0.00 H new ATOM 202 N GLN A 15 4.379 0.748 2.608 1.00 0.00 N ATOM 203 CA GLN A 15 2.999 0.892 3.025 1.00 0.00 C ATOM 204 C GLN A 15 2.083 0.077 2.121 1.00 0.00 C ATOM 205 O GLN A 15 0.997 -0.327 2.531 1.00 0.00 O ATOM 206 CB GLN A 15 2.593 2.366 2.993 1.00 0.00 C ATOM 207 CG GLN A 15 3.415 3.242 3.924 1.00 0.00 C ATOM 208 CD GLN A 15 2.900 4.666 3.992 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.649 5.620 3.784 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.614 4.817 4.286 1.00 0.00 N ATOM 0 H GLN A 15 4.777 1.584 2.180 1.00 0.00 H new ATOM 0 HA GLN A 15 2.902 0.520 4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.692 2.740 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.540 2.451 3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.408 2.809 4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.452 3.250 3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.029 3.998 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.211 5.752 4.347 1.00 0.00 H new ATOM 219 N LEU A 16 2.523 -0.173 0.886 1.00 0.00 N ATOM 220 CA LEU A 16 1.712 -0.952 -0.050 1.00 0.00 C ATOM 221 C LEU A 16 1.745 -2.435 0.308 1.00 0.00 C ATOM 222 O LEU A 16 0.755 -3.147 0.147 1.00 0.00 O ATOM 223 CB LEU A 16 2.209 -0.761 -1.485 1.00 0.00 C ATOM 224 CG LEU A 16 1.865 0.582 -2.132 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.367 0.754 -2.277 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.433 1.731 -1.331 1.00 0.00 C ATOM 0 H LEU A 16 3.419 0.146 0.516 1.00 0.00 H new ATOM 0 HA LEU A 16 0.685 -0.593 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.292 -0.881 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.795 -1.558 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 16 2.315 0.587 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.155 1.718 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.032 -0.045 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.101 0.713 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.174 2.674 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.018 1.712 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.518 1.637 -1.278 1.00 0.00 H new ATOM 238 N GLU A 17 2.898 -2.891 0.778 1.00 0.00 N ATOM 239 CA GLU A 17 3.083 -4.294 1.146 1.00 0.00 C ATOM 240 C GLU A 17 2.090 -4.747 2.215 1.00 0.00 C ATOM 241 O GLU A 17 1.773 -5.933 2.305 1.00 0.00 O ATOM 242 CB GLU A 17 4.513 -4.524 1.639 1.00 0.00 C ATOM 243 CG GLU A 17 5.020 -5.936 1.399 1.00 0.00 C ATOM 244 CD GLU A 17 6.280 -6.244 2.183 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.002 -5.291 2.544 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.546 -7.439 2.436 1.00 0.00 O ATOM 0 H GLU A 17 3.725 -2.309 0.915 1.00 0.00 H new ATOM 0 HA GLU A 17 2.899 -4.889 0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.178 -3.819 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.560 -4.307 2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.242 -6.649 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.216 -6.072 0.335 1.00 0.00 H new ATOM 253 N ASN A 18 1.605 -3.815 3.029 1.00 0.00 N ATOM 254 CA ASN A 18 0.657 -4.165 4.083 1.00 0.00 C ATOM 255 C ASN A 18 -0.719 -4.486 3.498 1.00 0.00 C ATOM 256 O ASN A 18 -1.488 -5.249 4.082 1.00 0.00 O ATOM 257 CB ASN A 18 0.576 -3.045 5.134 1.00 0.00 C ATOM 258 CG ASN A 18 -0.552 -2.057 4.893 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.320 -0.925 4.472 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.780 -2.479 5.173 1.00 0.00 N ATOM 0 H ASN A 18 1.848 -2.825 2.982 1.00 0.00 H new ATOM 0 HA ASN A 18 1.017 -5.064 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.449 -3.493 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.523 -2.505 5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.576 -1.855 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.927 -3.427 5.520 1.00 0.00 H new ATOM 267 N TYR A 19 -1.019 -3.905 2.340 1.00 0.00 N ATOM 268 CA TYR A 19 -2.295 -4.135 1.674 1.00 0.00 C ATOM 269 C TYR A 19 -2.319 -5.496 0.983 1.00 0.00 C ATOM 270 O TYR A 19 -3.381 -6.088 0.790 1.00 0.00 O ATOM 271 CB TYR A 19 -2.558 -3.021 0.664 1.00 0.00 C ATOM 272 CG TYR A 19 -2.369 -1.642 1.252 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.682 -1.388 2.582 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.878 -0.598 0.483 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.512 -0.132 3.127 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.704 0.663 1.021 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.021 0.891 2.342 1.00 0.00 C ATOM 278 OH TYR A 19 -1.851 2.145 2.881 1.00 0.00 O ATOM 0 H TYR A 19 -0.394 -3.270 1.843 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.083 -4.130 2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.888 -3.143 -0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.576 -3.113 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.065 -2.187 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.628 -0.773 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.762 0.049 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.321 1.466 0.409 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.533 2.302 3.567 1.00 0.00 H new ATOM 288 N CYS A 20 -1.139 -5.990 0.617 1.00 0.00 N ATOM 289 CA CYS A 20 -1.014 -7.286 -0.048 1.00 0.00 C ATOM 290 C CYS A 20 -1.738 -8.378 0.739 1.00 0.00 C ATOM 291 O CYS A 20 -1.925 -8.263 1.950 1.00 0.00 O ATOM 292 CB CYS A 20 0.470 -7.636 -0.217 1.00 0.00 C ATOM 293 SG CYS A 20 0.824 -9.406 -0.505 1.00 0.00 S ATOM 0 H CYS A 20 -0.252 -5.511 0.770 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.481 -7.222 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.870 -7.061 -1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.007 -7.315 0.676 1.00 0.00 H new ATOM 298 N ASN A 21 -2.139 -9.438 0.041 1.00 0.00 N ATOM 299 CA ASN A 21 -2.839 -10.550 0.675 1.00 0.00 C ATOM 300 C ASN A 21 -2.814 -11.788 -0.217 1.00 0.00 C ATOM 301 O ASN A 21 -1.987 -11.898 -1.122 1.00 0.00 O ATOM 302 CB ASN A 21 -4.285 -10.160 0.984 1.00 0.00 C ATOM 303 CG ASN A 21 -4.931 -11.089 1.994 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.283 -11.551 2.933 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.216 -11.366 1.804 1.00 0.00 N ATOM 0 H ASN A 21 -1.991 -9.549 -0.962 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.326 -10.785 1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.310 -9.139 1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.866 -10.170 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.705 -11.985 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.713 -10.960 1.011 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 10.938 4.050 -2.876 1.00 0.00 N ATOM 314 CA PHE B 1 11.982 4.092 -3.893 1.00 0.00 C ATOM 315 C PHE B 1 11.899 5.393 -4.682 1.00 0.00 C ATOM 316 O PHE B 1 12.917 5.983 -5.041 1.00 0.00 O ATOM 317 CB PHE B 1 11.892 2.901 -4.834 1.00 0.00 C ATOM 318 CG PHE B 1 10.494 2.573 -5.185 1.00 0.00 C ATOM 319 CD1 PHE B 1 9.842 3.288 -6.161 1.00 0.00 C ATOM 320 CD2 PHE B 1 9.827 1.572 -4.518 1.00 0.00 C ATOM 321 CE1 PHE B 1 8.537 3.011 -6.476 1.00 0.00 C ATOM 322 CE2 PHE B 1 8.524 1.281 -4.822 1.00 0.00 C ATOM 323 CZ PHE B 1 7.867 2.001 -5.806 1.00 0.00 C ATOM 0 H1 PHE B 1 11.285 3.533 -2.043 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.683 5.020 -2.600 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.100 3.567 -3.258 1.00 0.00 H new ATOM 0 HA PHE B 1 12.944 4.044 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.453 3.115 -5.744 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.361 2.035 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.363 4.076 -6.685 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.335 1.011 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.033 3.579 -7.244 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.009 0.491 -4.295 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.839 1.776 -6.049 1.00 0.00 H new ATOM 333 N VAL B 2 10.671 5.836 -4.936 1.00 0.00 N ATOM 334 CA VAL B 2 10.432 7.067 -5.667 1.00 0.00 C ATOM 335 C VAL B 2 9.271 7.847 -5.053 1.00 0.00 C ATOM 336 O VAL B 2 8.110 7.460 -5.187 1.00 0.00 O ATOM 337 CB VAL B 2 10.132 6.784 -7.144 1.00 0.00 C ATOM 338 CG1 VAL B 2 8.895 5.922 -7.270 1.00 0.00 C ATOM 339 CG2 VAL B 2 9.972 8.083 -7.911 1.00 0.00 C ATOM 0 H VAL B 2 9.822 5.353 -4.642 1.00 0.00 H new ATOM 0 HA VAL B 2 11.340 7.666 -5.601 1.00 0.00 H new ATOM 0 HB VAL B 2 10.972 6.240 -7.576 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.692 5.728 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.056 4.977 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.044 6.439 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.760 7.864 -8.957 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.149 8.657 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.893 8.662 -7.841 1.00 0.00 H new ATOM 349 N ASN B 3 9.591 8.945 -4.378 1.00 0.00 N ATOM 350 CA ASN B 3 8.573 9.775 -3.743 1.00 0.00 C ATOM 351 C ASN B 3 7.652 10.395 -4.789 1.00 0.00 C ATOM 352 O ASN B 3 7.985 11.415 -5.393 1.00 0.00 O ATOM 353 CB ASN B 3 9.229 10.879 -2.909 1.00 0.00 C ATOM 354 CG ASN B 3 10.380 10.366 -2.067 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.250 9.364 -1.361 1.00 0.00 O ATOM 356 ND2 ASN B 3 11.516 11.051 -2.134 1.00 0.00 N ATOM 0 H ASN B 3 10.546 9.281 -4.256 1.00 0.00 H new ATOM 0 HA ASN B 3 7.978 9.139 -3.087 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.591 11.664 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.481 11.331 -2.258 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.324 10.753 -1.588 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.580 11.875 -2.732 1.00 0.00 H new ATOM 363 N GLN B 4 6.494 9.774 -5.006 1.00 0.00 N ATOM 364 CA GLN B 4 5.541 10.274 -5.986 1.00 0.00 C ATOM 365 C GLN B 4 4.133 9.735 -5.737 1.00 0.00 C ATOM 366 O GLN B 4 3.873 9.063 -4.728 1.00 0.00 O ATOM 367 CB GLN B 4 6.001 9.893 -7.393 1.00 0.00 C ATOM 368 CG GLN B 4 5.933 8.401 -7.676 1.00 0.00 C ATOM 369 CD GLN B 4 6.068 8.081 -9.152 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.165 8.108 -9.708 1.00 0.00 O ATOM 371 NE2 GLN B 4 4.947 7.774 -9.796 1.00 0.00 N ATOM 0 H GLN B 4 6.197 8.929 -4.518 1.00 0.00 H new ATOM 0 HA GLN B 4 5.502 11.359 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.386 10.420 -8.122 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.026 10.234 -7.535 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.724 7.894 -7.124 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.985 8.008 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.058 7.764 -9.296 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.975 7.549 -10.790 1.00 0.00 H new ATOM 380 N HIS B 5 3.234 10.042 -6.678 1.00 0.00 N ATOM 381 CA HIS B 5 1.841 9.609 -6.606 1.00 0.00 C ATOM 382 C HIS B 5 1.719 8.121 -6.897 1.00 0.00 C ATOM 383 O HIS B 5 2.196 7.637 -7.923 1.00 0.00 O ATOM 384 CB HIS B 5 0.987 10.394 -7.606 1.00 0.00 C ATOM 385 CG HIS B 5 0.781 11.832 -7.241 1.00 0.00 C ATOM 386 ND1 HIS B 5 -0.295 12.572 -7.688 1.00 0.00 N ATOM 387 CD2 HIS B 5 1.516 12.671 -6.472 1.00 0.00 C ATOM 388 CE1 HIS B 5 -0.211 13.801 -7.212 1.00 0.00 C ATOM 389 NE2 HIS B 5 0.878 13.887 -6.471 1.00 0.00 N ATOM 0 H HIS B 5 3.453 10.595 -7.506 1.00 0.00 H new ATOM 0 HA HIS B 5 1.483 9.801 -5.594 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.458 10.344 -8.587 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.014 9.910 -7.695 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.433 12.429 -5.956 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.914 14.600 -7.397 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.194 14.722 -5.977 1.00 0.00 H new ATOM 398 N LEU B 6 1.068 7.402 -5.992 1.00 0.00 N ATOM 399 CA LEU B 6 0.872 5.970 -6.147 1.00 0.00 C ATOM 400 C LEU B 6 -0.589 5.617 -5.897 1.00 0.00 C ATOM 401 O LEU B 6 -0.962 5.161 -4.818 1.00 0.00 O ATOM 402 CB LEU B 6 1.784 5.208 -5.187 1.00 0.00 C ATOM 403 CG LEU B 6 3.110 4.727 -5.783 1.00 0.00 C ATOM 404 CD1 LEU B 6 2.893 3.495 -6.641 1.00 0.00 C ATOM 405 CD2 LEU B 6 3.766 5.830 -6.597 1.00 0.00 C ATOM 0 H LEU B 6 0.666 7.791 -5.139 1.00 0.00 H new ATOM 0 HA LEU B 6 1.129 5.681 -7.166 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.001 5.849 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.241 4.343 -4.807 1.00 0.00 H new ATOM 0 HG LEU B 6 3.776 4.464 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.846 3.168 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.470 2.697 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.207 3.734 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.706 5.466 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.102 6.126 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.960 6.689 -5.955 1.00 0.00 H new ATOM 417 N CYS B 7 -1.412 5.859 -6.902 1.00 0.00 N ATOM 418 CA CYS B 7 -2.841 5.602 -6.815 1.00 0.00 C ATOM 419 C CYS B 7 -3.310 4.730 -7.980 1.00 0.00 C ATOM 420 O CYS B 7 -2.590 4.555 -8.961 1.00 0.00 O ATOM 421 CB CYS B 7 -3.584 6.939 -6.813 1.00 0.00 C ATOM 422 SG CYS B 7 -5.310 6.859 -6.225 1.00 0.00 S ATOM 0 H CYS B 7 -1.111 6.238 -7.800 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.055 5.062 -5.893 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.035 7.642 -6.187 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.579 7.342 -7.826 1.00 0.00 H new HETATM 427 N DSN B 8 -4.527 4.196 -7.875 1.00 0.00 N HETATM 428 CA DSN B 8 -5.099 3.357 -8.917 1.00 0.00 C HETATM 429 C DSN B 8 -4.056 2.394 -9.506 1.00 0.00 C HETATM 430 O DSN B 8 -3.215 1.871 -8.777 1.00 0.00 O HETATM 431 CB DSN B 8 -6.196 2.459 -8.291 1.00 0.00 C HETATM 432 OG DSN B 8 -7.507 3.022 -8.404 1.00 0.00 O HETATM 0 HG DSN B 8 -8.160 2.416 -7.996 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -6.182 1.484 -8.777 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -5.966 2.294 -7.238 1.00 0.00 H new HETATM 0 HA DSN B 8 -5.482 4.020 -9.693 1.00 0.00 H new HETATM 0 H2 DSN B 8 -5.109 4.883 -7.397 1.00 0.00 H new ATOM 438 N SER B 9 -4.111 2.160 -10.819 1.00 0.00 N ATOM 439 CA SER B 9 -3.173 1.258 -11.492 1.00 0.00 C ATOM 440 C SER B 9 -1.704 1.652 -11.265 1.00 0.00 C ATOM 441 O SER B 9 -0.799 1.006 -11.794 1.00 0.00 O ATOM 442 CB SER B 9 -3.467 1.226 -12.992 1.00 0.00 C ATOM 443 OG SER B 9 -4.656 0.506 -13.265 1.00 0.00 O ATOM 0 H SER B 9 -4.799 2.585 -11.440 1.00 0.00 H new ATOM 0 HA SER B 9 -3.316 0.269 -11.057 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.561 2.244 -13.369 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.631 0.767 -13.520 1.00 0.00 H new ATOM 0 HG SER B 9 -4.822 0.502 -14.231 1.00 0.00 H new ATOM 449 N ASP B 10 -1.468 2.691 -10.468 1.00 0.00 N ATOM 450 CA ASP B 10 -0.110 3.137 -10.171 1.00 0.00 C ATOM 451 C ASP B 10 0.378 2.429 -8.925 1.00 0.00 C ATOM 452 O ASP B 10 1.366 1.696 -8.957 1.00 0.00 O ATOM 453 CB ASP B 10 -0.053 4.654 -9.977 1.00 0.00 C ATOM 454 CG ASP B 10 -0.808 5.408 -11.056 1.00 0.00 C ATOM 455 OD1 ASP B 10 -1.988 5.078 -11.296 1.00 0.00 O ATOM 456 OD2 ASP B 10 -0.220 6.328 -11.659 1.00 0.00 O ATOM 0 H ASP B 10 -2.200 3.240 -10.016 1.00 0.00 H new ATOM 0 HA ASP B 10 0.535 2.891 -11.014 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.469 4.908 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.988 4.977 -9.973 1.00 0.00 H new ATOM 461 N LEU B 11 -0.362 2.608 -7.836 1.00 0.00 N ATOM 462 CA LEU B 11 -0.044 1.936 -6.598 1.00 0.00 C ATOM 463 C LEU B 11 -0.287 0.461 -6.815 1.00 0.00 C ATOM 464 O LEU B 11 0.400 -0.394 -6.262 1.00 0.00 O ATOM 465 CB LEU B 11 -0.904 2.479 -5.459 1.00 0.00 C ATOM 466 CG LEU B 11 -1.951 1.518 -4.908 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.131 1.719 -3.426 1.00 0.00 C ATOM 468 CD2 LEU B 11 -3.256 1.717 -5.632 1.00 0.00 C ATOM 0 H LEU B 11 -1.182 3.213 -7.793 1.00 0.00 H new ATOM 0 HA LEU B 11 0.995 2.107 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.247 2.779 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.411 3.379 -5.807 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.609 0.496 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.883 1.023 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.184 1.538 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.456 2.742 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.001 1.028 -5.235 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.598 2.742 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.115 1.525 -6.696 1.00 0.00 H new ATOM 480 N VAL B 12 -1.270 0.182 -7.669 1.00 0.00 N ATOM 481 CA VAL B 12 -1.611 -1.176 -8.017 1.00 0.00 C ATOM 482 C VAL B 12 -0.354 -1.901 -8.460 1.00 0.00 C ATOM 483 O VAL B 12 -0.065 -3.008 -8.004 1.00 0.00 O ATOM 484 CB VAL B 12 -2.667 -1.200 -9.132 1.00 0.00 C ATOM 485 CG1 VAL B 12 -2.849 -2.590 -9.687 1.00 0.00 C ATOM 486 CG2 VAL B 12 -3.983 -0.667 -8.612 1.00 0.00 C ATOM 0 H VAL B 12 -1.841 0.890 -8.130 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.034 -1.678 -7.147 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.317 -0.561 -9.942 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.603 -2.572 -10.474 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.904 -2.944 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.172 -3.260 -8.891 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.725 -0.688 -9.410 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.324 -1.287 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.850 0.359 -8.268 1.00 0.00 H new ATOM 496 N GLU B 13 0.418 -1.238 -9.318 1.00 0.00 N ATOM 497 CA GLU B 13 1.679 -1.794 -9.779 1.00 0.00 C ATOM 498 C GLU B 13 2.479 -2.217 -8.553 1.00 0.00 C ATOM 499 O GLU B 13 2.861 -3.378 -8.421 1.00 0.00 O ATOM 500 CB GLU B 13 2.443 -0.772 -10.642 1.00 0.00 C ATOM 501 CG GLU B 13 3.706 -0.208 -10.003 1.00 0.00 C ATOM 502 CD GLU B 13 4.494 0.674 -10.953 1.00 0.00 C ATOM 503 OE1 GLU B 13 3.864 1.405 -11.744 1.00 0.00 O ATOM 504 OE2 GLU B 13 5.742 0.632 -10.905 1.00 0.00 O ATOM 0 H GLU B 13 0.191 -0.321 -9.704 1.00 0.00 H new ATOM 0 HA GLU B 13 1.506 -2.663 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.712 -1.245 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.773 0.055 -10.879 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.435 0.368 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.338 -1.030 -9.667 1.00 0.00 H new ATOM 511 N ALA B 14 2.668 -1.272 -7.624 1.00 0.00 N ATOM 512 CA ALA B 14 3.355 -1.553 -6.377 1.00 0.00 C ATOM 513 C ALA B 14 2.655 -2.713 -5.693 1.00 0.00 C ATOM 514 O ALA B 14 3.193 -3.801 -5.613 1.00 0.00 O ATOM 515 CB ALA B 14 3.368 -0.324 -5.481 1.00 0.00 C ATOM 0 H ALA B 14 2.351 -0.307 -7.721 1.00 0.00 H new ATOM 0 HA ALA B 14 4.393 -1.819 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.888 -0.557 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.882 0.492 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.344 -0.025 -5.259 1.00 0.00 H new ATOM 521 N LEU B 15 1.427 -2.482 -5.239 1.00 0.00 N ATOM 522 CA LEU B 15 0.633 -3.526 -4.587 1.00 0.00 C ATOM 523 C LEU B 15 0.881 -4.885 -5.238 1.00 0.00 C ATOM 524 O LEU B 15 0.879 -5.914 -4.571 1.00 0.00 O ATOM 525 CB LEU B 15 -0.850 -3.198 -4.737 1.00 0.00 C ATOM 526 CG LEU B 15 -1.600 -2.942 -3.438 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.580 -4.161 -2.541 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.008 -1.760 -2.730 1.00 0.00 C ATOM 0 H LEU B 15 0.956 -1.580 -5.309 1.00 0.00 H new ATOM 0 HA LEU B 15 0.922 -3.567 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.947 -2.317 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.335 -4.022 -5.260 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.641 -2.728 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.124 -3.945 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.053 -4.998 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.549 -4.419 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.550 -1.583 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.040 -1.957 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.083 -0.879 -3.367 1.00 0.00 H new ATOM 540 N TYR B 16 1.094 -4.874 -6.545 1.00 0.00 N ATOM 541 CA TYR B 16 1.347 -6.097 -7.289 1.00 0.00 C ATOM 542 C TYR B 16 2.774 -6.606 -7.072 1.00 0.00 C ATOM 543 O TYR B 16 2.982 -7.763 -6.698 1.00 0.00 O ATOM 544 CB TYR B 16 1.097 -5.850 -8.778 1.00 0.00 C ATOM 545 CG TYR B 16 -0.300 -6.192 -9.217 1.00 0.00 C ATOM 546 CD1 TYR B 16 -0.939 -7.329 -8.743 1.00 0.00 C ATOM 547 CD2 TYR B 16 -0.987 -5.364 -10.091 1.00 0.00 C ATOM 548 CE1 TYR B 16 -2.226 -7.635 -9.130 1.00 0.00 C ATOM 549 CE2 TYR B 16 -2.278 -5.659 -10.482 1.00 0.00 C ATOM 550 CZ TYR B 16 -2.894 -6.796 -9.999 1.00 0.00 C ATOM 551 OH TYR B 16 -4.181 -7.094 -10.386 1.00 0.00 O ATOM 0 H TYR B 16 1.096 -4.027 -7.114 1.00 0.00 H new ATOM 0 HA TYR B 16 0.665 -6.865 -6.923 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.293 -4.801 -9.002 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.806 -6.438 -9.360 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.420 -7.985 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.506 -4.475 -10.472 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.709 -8.526 -8.756 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.803 -5.004 -11.162 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.507 -6.402 -10.999 1.00 0.00 H new ATOM 561 N LEU B 17 3.755 -5.738 -7.309 1.00 0.00 N ATOM 562 CA LEU B 17 5.159 -6.108 -7.145 1.00 0.00 C ATOM 563 C LEU B 17 5.575 -6.036 -5.681 1.00 0.00 C ATOM 564 O LEU B 17 6.405 -6.817 -5.217 1.00 0.00 O ATOM 565 CB LEU B 17 6.059 -5.211 -7.997 1.00 0.00 C ATOM 566 CG LEU B 17 5.743 -3.718 -7.935 1.00 0.00 C ATOM 567 CD1 LEU B 17 6.405 -3.069 -6.733 1.00 0.00 C ATOM 568 CD2 LEU B 17 6.173 -3.028 -9.221 1.00 0.00 C ATOM 0 H LEU B 17 3.605 -4.776 -7.614 1.00 0.00 H new ATOM 0 HA LEU B 17 5.275 -7.138 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.092 -5.360 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.990 -5.537 -9.035 1.00 0.00 H new ATOM 0 HG LEU B 17 4.664 -3.606 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.163 -2.006 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.042 -3.540 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.486 -3.194 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.940 -1.965 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.246 -3.157 -9.362 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.641 -3.467 -10.065 1.00 0.00 H new ATOM 580 N VAL B 18 4.972 -5.106 -4.960 1.00 0.00 N ATOM 581 CA VAL B 18 5.236 -4.923 -3.551 1.00 0.00 C ATOM 582 C VAL B 18 4.734 -6.137 -2.782 1.00 0.00 C ATOM 583 O VAL B 18 5.456 -6.717 -1.970 1.00 0.00 O ATOM 584 CB VAL B 18 4.550 -3.632 -3.045 1.00 0.00 C ATOM 585 CG1 VAL B 18 3.631 -3.898 -1.871 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.579 -2.577 -2.696 1.00 0.00 C ATOM 0 H VAL B 18 4.284 -4.457 -5.341 1.00 0.00 H new ATOM 0 HA VAL B 18 6.309 -4.822 -3.391 1.00 0.00 H new ATOM 0 HB VAL B 18 3.931 -3.256 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.172 -2.963 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.853 -4.601 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.206 -4.322 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.073 -1.678 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.237 -2.955 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.169 -2.337 -3.581 1.00 0.00 H new ATOM 596 N CYS B 19 3.488 -6.523 -3.060 1.00 0.00 N ATOM 597 CA CYS B 19 2.878 -7.680 -2.411 1.00 0.00 C ATOM 598 C CYS B 19 3.853 -8.857 -2.384 1.00 0.00 C ATOM 599 O CYS B 19 4.257 -9.312 -1.313 1.00 0.00 O ATOM 600 CB CYS B 19 1.583 -8.072 -3.132 1.00 0.00 C ATOM 601 SG CYS B 19 0.809 -9.606 -2.526 1.00 0.00 S ATOM 0 H CYS B 19 2.883 -6.050 -3.731 1.00 0.00 H new ATOM 0 HA CYS B 19 2.636 -7.413 -1.382 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.867 -7.256 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.795 -8.183 -4.195 1.00 0.00 H new ATOM 606 N GLY B 20 4.242 -9.337 -3.564 1.00 0.00 N ATOM 607 CA GLY B 20 5.179 -10.443 -3.629 1.00 0.00 C ATOM 608 C GLY B 20 4.960 -11.334 -4.834 1.00 0.00 C ATOM 609 O GLY B 20 5.846 -11.481 -5.676 1.00 0.00 O ATOM 0 H GLY B 20 3.928 -8.983 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY B 20 6.195 -10.050 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.091 -11.040 -2.722 1.00 0.00 H new ATOM 613 N GLU B 21 3.780 -11.934 -4.913 1.00 0.00 N ATOM 614 CA GLU B 21 3.445 -12.825 -6.019 1.00 0.00 C ATOM 615 C GLU B 21 2.043 -13.398 -5.845 1.00 0.00 C ATOM 616 O GLU B 21 1.282 -13.506 -6.805 1.00 0.00 O ATOM 617 CB GLU B 21 4.463 -13.964 -6.115 1.00 0.00 C ATOM 618 CG GLU B 21 4.802 -14.356 -7.544 1.00 0.00 C ATOM 619 CD GLU B 21 5.203 -15.814 -7.667 1.00 0.00 C ATOM 620 OE1 GLU B 21 6.141 -16.234 -6.957 1.00 0.00 O ATOM 621 OE2 GLU B 21 4.579 -16.534 -8.473 1.00 0.00 O ATOM 0 H GLU B 21 3.037 -11.821 -4.224 1.00 0.00 H new ATOM 0 HA GLU B 21 3.473 -12.245 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.378 -13.667 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.071 -14.836 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.941 -14.164 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.615 -13.727 -7.907 1.00 0.00 H new ATOM 628 N ARG B 22 1.709 -13.763 -4.609 1.00 0.00 N ATOM 629 CA ARG B 22 0.396 -14.324 -4.305 1.00 0.00 C ATOM 630 C ARG B 22 -0.714 -13.452 -4.884 1.00 0.00 C ATOM 631 O ARG B 22 -1.799 -13.939 -5.202 1.00 0.00 O ATOM 632 CB ARG B 22 0.214 -14.461 -2.792 1.00 0.00 C ATOM 633 CG ARG B 22 1.226 -15.391 -2.138 1.00 0.00 C ATOM 634 CD ARG B 22 2.190 -14.633 -1.236 1.00 0.00 C ATOM 635 NE ARG B 22 2.301 -15.247 0.085 1.00 0.00 N ATOM 636 CZ ARG B 22 3.036 -16.327 0.343 1.00 0.00 C ATOM 637 NH1 ARG B 22 3.721 -16.918 -0.627 1.00 0.00 N ATOM 638 NH2 ARG B 22 3.084 -16.818 1.574 1.00 0.00 N ATOM 0 H ARG B 22 2.329 -13.680 -3.803 1.00 0.00 H new ATOM 0 HA ARG B 22 0.336 -15.312 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.291 -13.475 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.791 -14.830 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.701 -16.147 -1.555 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.788 -15.917 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.174 -14.599 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.852 -13.602 -1.129 1.00 0.00 H new ATOM 0 HE ARG B 22 1.785 -14.823 0.856 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.686 -16.545 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.282 -17.745 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.558 -16.368 2.323 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.647 -17.645 1.771 1.00 0.00 H new ATOM 652 N GLY B 23 -0.431 -12.160 -5.019 1.00 0.00 N ATOM 653 CA GLY B 23 -1.410 -11.240 -5.563 1.00 0.00 C ATOM 654 C GLY B 23 -2.074 -10.398 -4.493 1.00 0.00 C ATOM 655 O GLY B 23 -2.107 -10.777 -3.322 1.00 0.00 O ATOM 0 H GLY B 23 0.460 -11.735 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.925 -10.585 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.172 -11.803 -6.102 1.00 0.00 H new ATOM 659 N PHE B 24 -2.606 -9.251 -4.897 1.00 0.00 N ATOM 660 CA PHE B 24 -3.278 -8.353 -3.968 1.00 0.00 C ATOM 661 C PHE B 24 -4.658 -7.974 -4.487 1.00 0.00 C ATOM 662 O PHE B 24 -5.133 -8.492 -5.498 1.00 0.00 O ATOM 663 CB PHE B 24 -2.457 -7.065 -3.759 1.00 0.00 C ATOM 664 CG PHE B 24 -2.732 -6.007 -4.796 1.00 0.00 C ATOM 665 CD1 PHE B 24 -2.231 -6.138 -6.076 1.00 0.00 C ATOM 666 CD2 PHE B 24 -3.497 -4.887 -4.494 1.00 0.00 C ATOM 667 CE1 PHE B 24 -2.481 -5.178 -7.032 1.00 0.00 C ATOM 668 CE2 PHE B 24 -3.744 -3.924 -5.452 1.00 0.00 C ATOM 669 CZ PHE B 24 -3.234 -4.074 -6.724 1.00 0.00 C ATOM 0 H PHE B 24 -2.585 -8.921 -5.862 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.376 -8.880 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.675 -6.660 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.396 -7.312 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.636 -7.003 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.902 -4.769 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.082 -5.295 -8.029 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.336 -3.055 -5.205 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.427 -3.324 -7.476 1.00 0.00 H new ATOM 679 N PHE B 25 -5.259 -7.023 -3.799 1.00 0.00 N ATOM 680 CA PHE B 25 -6.552 -6.485 -4.160 1.00 0.00 C ATOM 681 C PHE B 25 -6.517 -4.998 -3.852 1.00 0.00 C ATOM 682 O PHE B 25 -6.097 -4.198 -4.679 1.00 0.00 O ATOM 683 CB PHE B 25 -7.676 -7.189 -3.393 1.00 0.00 C ATOM 684 CG PHE B 25 -8.094 -8.496 -4.005 1.00 0.00 C ATOM 685 CD1 PHE B 25 -9.075 -8.534 -4.982 1.00 0.00 C ATOM 686 CD2 PHE B 25 -7.506 -9.683 -3.603 1.00 0.00 C ATOM 687 CE1 PHE B 25 -9.462 -9.735 -5.547 1.00 0.00 C ATOM 688 CE2 PHE B 25 -7.889 -10.886 -4.164 1.00 0.00 C ATOM 689 CZ PHE B 25 -8.867 -10.912 -5.138 1.00 0.00 C ATOM 0 H PHE B 25 -4.856 -6.598 -2.964 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.756 -6.649 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.350 -7.365 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.541 -6.527 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.543 -7.616 -5.306 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.739 -9.668 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.229 -9.753 -6.307 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.424 -11.805 -3.841 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.166 -11.851 -5.579 1.00 0.00 H new ATOM 699 N TYR B 26 -6.907 -4.637 -2.643 1.00 0.00 N ATOM 700 CA TYR B 26 -6.845 -3.255 -2.214 1.00 0.00 C ATOM 701 C TYR B 26 -6.980 -3.139 -0.700 1.00 0.00 C ATOM 702 O TYR B 26 -5.986 -3.030 0.018 1.00 0.00 O ATOM 703 CB TYR B 26 -7.858 -2.399 -2.955 1.00 0.00 C ATOM 704 CG TYR B 26 -7.194 -1.538 -4.006 1.00 0.00 C ATOM 705 CD1 TYR B 26 -6.476 -0.407 -3.640 1.00 0.00 C ATOM 706 CD2 TYR B 26 -7.270 -1.857 -5.357 1.00 0.00 C ATOM 707 CE1 TYR B 26 -5.860 0.384 -4.584 1.00 0.00 C ATOM 708 CE2 TYR B 26 -6.662 -1.065 -6.307 1.00 0.00 C ATOM 709 CZ TYR B 26 -5.962 0.053 -5.918 1.00 0.00 C ATOM 710 OH TYR B 26 -5.381 0.852 -6.873 1.00 0.00 O ATOM 0 H TYR B 26 -7.270 -5.283 -1.942 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.860 -2.867 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.602 -3.041 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.388 -1.764 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.399 -0.143 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.813 -2.738 -5.666 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.301 1.257 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.735 -1.322 -7.354 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.369 1.780 -6.559 1.00 0.00 H new ATOM 720 N THR B 27 -8.221 -3.168 -0.224 1.00 0.00 N ATOM 721 CA THR B 27 -8.500 -3.072 1.202 1.00 0.00 C ATOM 722 C THR B 27 -9.717 -3.914 1.567 1.00 0.00 C ATOM 723 O THR B 27 -9.675 -4.723 2.495 1.00 0.00 O ATOM 724 CB THR B 27 -8.735 -1.615 1.598 1.00 0.00 C ATOM 725 OG1 THR B 27 -8.632 -0.761 0.472 1.00 0.00 O ATOM 726 CG2 THR B 27 -7.756 -1.123 2.635 1.00 0.00 C ATOM 0 H THR B 27 -9.052 -3.258 -0.809 1.00 0.00 H new ATOM 0 HA THR B 27 -7.637 -3.453 1.748 1.00 0.00 H new ATOM 0 HB THR B 27 -9.740 -1.587 2.019 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.274 -0.025 0.560 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.973 -0.082 2.876 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.845 -1.730 3.536 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.742 -1.201 2.244 1.00 0.00 H new ATOM 734 N LYS B 28 -10.799 -3.715 0.826 1.00 0.00 N ATOM 735 CA LYS B 28 -12.040 -4.449 1.057 1.00 0.00 C ATOM 736 C LYS B 28 -12.446 -5.227 -0.192 1.00 0.00 C ATOM 737 O LYS B 28 -11.936 -4.972 -1.283 1.00 0.00 O ATOM 738 CB LYS B 28 -13.165 -3.488 1.461 1.00 0.00 C ATOM 739 CG LYS B 28 -13.012 -2.086 0.890 1.00 0.00 C ATOM 740 CD LYS B 28 -14.128 -1.167 1.360 1.00 0.00 C ATOM 741 CE LYS B 28 -13.584 0.153 1.882 1.00 0.00 C ATOM 742 NZ LYS B 28 -12.717 -0.038 3.078 1.00 0.00 N ATOM 0 H LYS B 28 -10.844 -3.048 0.055 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.870 -5.155 1.870 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.118 -3.902 1.132 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.203 -3.425 2.549 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.049 -1.673 1.190 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.013 -2.134 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.815 -0.977 0.536 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.701 -1.661 2.145 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.014 0.647 1.095 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.414 0.812 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.738 0.822 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.066 -0.844 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.741 -0.225 2.773 1.00 0.00 H new ATOM 756 N PRO B 29 -13.375 -6.190 -0.052 1.00 0.00 N ATOM 757 CA PRO B 29 -13.849 -7.003 -1.174 1.00 0.00 C ATOM 758 C PRO B 29 -14.229 -6.155 -2.384 1.00 0.00 C ATOM 759 O PRO B 29 -15.365 -5.693 -2.499 1.00 0.00 O ATOM 760 CB PRO B 29 -15.085 -7.729 -0.613 1.00 0.00 C ATOM 761 CG PRO B 29 -15.353 -7.106 0.720 1.00 0.00 C ATOM 762 CD PRO B 29 -14.039 -6.565 1.201 1.00 0.00 C ATOM 0 HA PRO B 29 -13.075 -7.682 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.941 -7.614 -1.278 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.899 -8.799 -0.515 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -16.094 -6.311 0.636 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.751 -7.841 1.420 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.170 -5.709 1.863 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.470 -7.312 1.754 1.00 0.00 H new ATOM 770 N THR B 30 -13.268 -5.954 -3.283 1.00 0.00 N ATOM 771 CA THR B 30 -13.490 -5.162 -4.490 1.00 0.00 C ATOM 772 C THR B 30 -14.132 -3.817 -4.158 1.00 0.00 C ATOM 773 O THR B 30 -13.385 -2.855 -3.888 1.00 0.00 O ATOM 774 CB THR B 30 -14.370 -5.929 -5.478 1.00 0.00 C ATOM 775 OG1 THR B 30 -15.596 -6.305 -4.875 1.00 0.00 O ATOM 776 CG2 THR B 30 -13.716 -7.187 -6.009 1.00 0.00 C ATOM 777 OXT THR B 30 -15.379 -3.738 -4.173 1.00 0.00 O ATOM 0 H THR B 30 -12.324 -6.331 -3.197 1.00 0.00 H new ATOM 0 HA THR B 30 -12.519 -4.975 -4.948 1.00 0.00 H new ATOM 0 HB THR B 30 -14.534 -5.243 -6.309 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.832 -5.655 -4.180 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.393 -7.683 -6.704 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.792 -6.927 -6.526 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.491 -7.858 -5.180 1.00 0.00 H new TER 785 THR B 30