USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 hydrogens (11 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: A 2 IIL H2 : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD NoAdj-H: A 2 IIL H : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.103 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.0997 X(o=0.0029,f=0.023) USER MOD Single : A 1 GLY N :NH3+ 150:sc= -0.89 (180deg=-2.74!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -29:sc= -0.845! 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 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.05 F(o=-4.8!,f=-1) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.1!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0.336 K(o=0.34,f=-4.4!) 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 -85:sc= -1.12 USER MOD Single : B 27 THR OG1 : rot 180:sc= -4.24! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.156 4.881 -0.792 1.00 0.00 N ATOM 2 CA GLY A 1 -5.052 3.868 -0.494 1.00 0.00 C ATOM 3 C GLY A 1 -4.015 3.587 -1.529 1.00 0.00 C ATOM 4 O GLY A 1 -3.429 4.488 -2.095 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.018 4.618 -0.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.847 5.828 -0.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.355 4.887 -1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.534 4.204 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.534 2.922 -0.249 1.00 0.00 H new HETATM 10 N IIL A 2 -3.757 2.337 -1.800 1.00 0.00 N HETATM 11 CA IIL A 2 -2.729 1.992 -2.822 1.00 0.00 C HETATM 12 C IIL A 2 -3.009 2.757 -4.115 1.00 0.00 C HETATM 13 O IIL A 2 -2.132 3.372 -4.687 1.00 0.00 O HETATM 14 CB IIL A 2 -2.767 0.487 -3.105 1.00 0.00 C HETATM 15 CG2 IIL A 2 -1.867 0.173 -4.302 1.00 0.00 C HETATM 16 CG1 IIL A 2 -4.200 0.056 -3.422 1.00 0.00 C HETATM 17 CD1 IIL A 2 -4.276 -1.469 -3.442 1.00 0.00 C HETATM 0 HG23 IIL A 2 -2.222 0.717 -5.177 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -0.844 0.475 -4.077 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -1.892 -0.898 -4.505 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -4.886 0.456 -2.675 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -4.508 0.460 -4.386 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -3.601 -1.857 -4.205 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -3.985 -1.861 -2.467 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -5.296 -1.780 -3.668 1.00 0.00 H new HETATM 0 HB IIL A 2 -2.414 -0.054 -2.227 1.00 0.00 H new HETATM 0 HA IIL A 2 -1.744 2.267 -2.444 1.00 0.00 H new ATOM 29 N VAL A 3 -4.225 2.723 -4.583 1.00 0.00 N ATOM 30 CA VAL A 3 -4.556 3.447 -5.838 1.00 0.00 C ATOM 31 C VAL A 3 -4.400 4.950 -5.613 1.00 0.00 C ATOM 32 O VAL A 3 -4.012 5.679 -6.497 1.00 0.00 O ATOM 33 CB VAL A 3 -6.000 3.141 -6.234 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.355 3.908 -7.509 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.151 1.641 -6.486 1.00 0.00 C ATOM 0 H VAL A 3 -5.003 2.225 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.883 3.125 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.669 3.446 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.385 3.689 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.247 4.978 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.686 3.604 -8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.181 1.421 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.481 1.338 -7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.899 1.092 -5.578 1.00 0.00 H new ATOM 45 N GLU A 4 -4.707 5.415 -4.435 1.00 0.00 N ATOM 46 CA GLU A 4 -4.583 6.873 -4.156 1.00 0.00 C ATOM 47 C GLU A 4 -3.196 7.183 -3.586 1.00 0.00 C ATOM 48 O GLU A 4 -2.934 8.279 -3.132 1.00 0.00 O ATOM 49 CB GLU A 4 -5.652 7.285 -3.139 1.00 0.00 C ATOM 50 CG GLU A 4 -7.040 6.985 -3.707 1.00 0.00 C ATOM 51 CD GLU A 4 -7.601 8.242 -4.372 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.053 9.306 -4.140 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.570 8.119 -5.104 1.00 0.00 O ATOM 0 H GLU A 4 -5.038 4.849 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.719 7.428 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.506 6.745 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.562 8.347 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.980 6.173 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.707 6.653 -2.911 1.00 0.00 H new ATOM 60 N GLN A 5 -2.300 6.231 -3.600 1.00 0.00 N ATOM 61 CA GLN A 5 -0.940 6.493 -3.049 1.00 0.00 C ATOM 62 C GLN A 5 0.067 6.647 -4.197 1.00 0.00 C ATOM 63 O GLN A 5 0.666 7.691 -4.365 1.00 0.00 O ATOM 64 CB GLN A 5 -0.527 5.338 -2.132 1.00 0.00 C ATOM 65 CG GLN A 5 0.875 5.599 -1.585 1.00 0.00 C ATOM 66 CD GLN A 5 0.791 5.894 -0.086 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.855 7.037 0.324 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.649 4.907 0.756 1.00 0.00 N ATOM 0 H GLN A 5 -2.450 5.291 -3.966 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.955 7.417 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.237 5.240 -1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.545 4.398 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.513 4.733 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.330 6.441 -2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.595 3.948 0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.592 5.095 1.757 1.00 0.00 H new ATOM 77 N CYS A 6 0.257 5.632 -5.001 1.00 0.00 N ATOM 78 CA CYS A 6 1.215 5.765 -6.137 1.00 0.00 C ATOM 79 C CYS A 6 0.557 6.562 -7.261 1.00 0.00 C ATOM 80 O CYS A 6 1.220 7.059 -8.150 1.00 0.00 O ATOM 81 CB CYS A 6 1.622 4.385 -6.663 1.00 0.00 C ATOM 82 SG CYS A 6 3.295 3.981 -6.095 1.00 0.00 S ATOM 0 H CYS A 6 -0.205 4.726 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 6 2.108 6.282 -5.785 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.917 3.630 -6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.586 4.376 -7.752 1.00 0.00 H new ATOM 87 N CYS A 7 -0.739 6.700 -7.226 1.00 0.00 N ATOM 88 CA CYS A 7 -1.422 7.480 -8.291 1.00 0.00 C ATOM 89 C CYS A 7 -1.429 8.952 -7.882 1.00 0.00 C ATOM 90 O CYS A 7 -1.146 9.831 -8.671 1.00 0.00 O ATOM 91 CB CYS A 7 -2.861 6.984 -8.457 1.00 0.00 C ATOM 92 SG CYS A 7 -3.616 7.669 -9.961 1.00 0.00 S ATOM 0 H CYS A 7 -1.351 6.308 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.897 7.356 -9.238 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.871 5.895 -8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.451 7.271 -7.587 1.00 0.00 H new ATOM 97 N THR A 8 -1.742 9.221 -6.643 1.00 0.00 N ATOM 98 CA THR A 8 -1.757 10.629 -6.165 1.00 0.00 C ATOM 99 C THR A 8 -0.357 11.223 -6.344 1.00 0.00 C ATOM 100 O THR A 8 -0.193 12.393 -6.632 1.00 0.00 O ATOM 101 CB THR A 8 -2.155 10.655 -4.681 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.637 11.947 -4.344 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.947 10.314 -3.805 1.00 0.00 C ATOM 0 H THR A 8 -1.988 8.523 -5.941 1.00 0.00 H new ATOM 0 HA THR A 8 -2.477 11.216 -6.736 1.00 0.00 H new ATOM 0 HB THR A 8 -2.937 9.915 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.893 11.964 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.241 10.335 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.582 9.319 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.156 11.045 -3.975 1.00 0.00 H new ATOM 111 N SER A 9 0.650 10.413 -6.174 1.00 0.00 N ATOM 112 CA SER A 9 2.048 10.895 -6.328 1.00 0.00 C ATOM 113 C SER A 9 2.949 9.687 -6.583 1.00 0.00 C ATOM 114 O SER A 9 2.537 8.715 -7.182 1.00 0.00 O ATOM 115 CB SER A 9 2.490 11.603 -5.047 1.00 0.00 C ATOM 116 OG SER A 9 1.456 12.475 -4.609 1.00 0.00 O ATOM 0 H SER A 9 0.561 9.426 -5.932 1.00 0.00 H new ATOM 0 HA SER A 9 2.114 11.595 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.715 10.870 -4.272 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.405 12.167 -5.227 1.00 0.00 H new ATOM 0 HG SER A 9 0.939 12.784 -5.382 1.00 0.00 H new ATOM 122 N ILE A 10 4.167 9.730 -6.128 1.00 0.00 N ATOM 123 CA ILE A 10 5.073 8.569 -6.347 1.00 0.00 C ATOM 124 C ILE A 10 5.220 7.789 -5.042 1.00 0.00 C ATOM 125 O ILE A 10 5.918 8.202 -4.137 1.00 0.00 O ATOM 126 CB ILE A 10 6.441 9.070 -6.803 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.236 10.187 -7.851 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.237 7.893 -7.384 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.050 9.920 -9.124 1.00 0.00 C ATOM 0 H ILE A 10 4.574 10.513 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 10 4.654 7.917 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 10 7.005 9.481 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.178 10.261 -8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.530 11.146 -7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.216 8.243 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.363 7.126 -6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.698 7.473 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.882 10.725 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.110 9.872 -8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.737 8.973 -9.564 1.00 0.00 H new ATOM 141 N CYS A 11 4.572 6.662 -4.935 1.00 0.00 N ATOM 142 CA CYS A 11 4.685 5.863 -3.681 1.00 0.00 C ATOM 143 C CYS A 11 5.773 4.797 -3.861 1.00 0.00 C ATOM 144 O CYS A 11 6.491 4.795 -4.842 1.00 0.00 O ATOM 145 CB CYS A 11 3.322 5.232 -3.329 1.00 0.00 C ATOM 146 SG CYS A 11 3.108 3.612 -4.121 1.00 0.00 S ATOM 0 H CYS A 11 3.973 6.261 -5.656 1.00 0.00 H new ATOM 0 HA CYS A 11 4.969 6.509 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.240 5.122 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.520 5.900 -3.643 1.00 0.00 H new ATOM 151 N SER A 12 5.924 3.910 -2.917 1.00 0.00 N ATOM 152 CA SER A 12 6.993 2.877 -3.043 1.00 0.00 C ATOM 153 C SER A 12 6.394 1.509 -3.382 1.00 0.00 C ATOM 154 O SER A 12 5.337 1.136 -2.906 1.00 0.00 O ATOM 155 CB SER A 12 7.757 2.781 -1.723 1.00 0.00 C ATOM 156 OG SER A 12 6.918 3.221 -0.664 1.00 0.00 O ATOM 0 H SER A 12 5.359 3.854 -2.070 1.00 0.00 H new ATOM 0 HA SER A 12 7.667 3.169 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.076 1.753 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.659 3.392 -1.766 1.00 0.00 H new ATOM 0 HG SER A 12 7.403 3.160 0.185 1.00 0.00 H new ATOM 162 N LEU A 13 7.081 0.750 -4.194 1.00 0.00 N ATOM 163 CA LEU A 13 6.578 -0.600 -4.561 1.00 0.00 C ATOM 164 C LEU A 13 6.626 -1.494 -3.321 1.00 0.00 C ATOM 165 O LEU A 13 5.992 -2.529 -3.263 1.00 0.00 O ATOM 166 CB LEU A 13 7.468 -1.198 -5.651 1.00 0.00 C ATOM 167 CG LEU A 13 8.881 -1.396 -5.101 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.242 -2.882 -5.141 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.874 -0.608 -5.956 1.00 0.00 C ATOM 0 H LEU A 13 7.971 1.010 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 13 5.555 -0.527 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.060 -2.151 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.493 -0.538 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 13 8.923 -1.040 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.249 -3.022 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.534 -3.445 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.200 -3.239 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.882 -0.748 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.831 -0.965 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.618 0.451 -5.928 1.00 0.00 H new ATOM 181 N TYR A 14 7.365 -1.093 -2.318 1.00 0.00 N ATOM 182 CA TYR A 14 7.440 -1.909 -1.079 1.00 0.00 C ATOM 183 C TYR A 14 6.037 -2.007 -0.505 1.00 0.00 C ATOM 184 O TYR A 14 5.600 -3.046 -0.051 1.00 0.00 O ATOM 185 CB TYR A 14 8.367 -1.234 -0.067 1.00 0.00 C ATOM 186 CG TYR A 14 9.601 -2.087 0.143 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.332 -2.553 -0.962 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.017 -2.415 1.442 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.473 -3.341 -0.766 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.158 -3.203 1.635 1.00 0.00 C ATOM 191 CZ TYR A 14 11.887 -3.666 0.532 1.00 0.00 C ATOM 192 OH TYR A 14 13.011 -4.442 0.723 1.00 0.00 O ATOM 0 H TYR A 14 7.918 -0.236 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 14 7.834 -2.901 -1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.653 -0.245 -0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.846 -1.092 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.014 -2.303 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.457 -2.059 2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.034 -3.698 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.477 -3.454 2.636 1.00 0.00 H new ATOM 0 HH TYR A 14 13.159 -4.573 1.683 1.00 0.00 H new ATOM 202 N GLN A 15 5.321 -0.925 -0.554 1.00 0.00 N ATOM 203 CA GLN A 15 3.929 -0.934 -0.046 1.00 0.00 C ATOM 204 C GLN A 15 3.053 -1.621 -1.091 1.00 0.00 C ATOM 205 O GLN A 15 1.984 -2.118 -0.799 1.00 0.00 O ATOM 206 CB GLN A 15 3.448 0.503 0.170 1.00 0.00 C ATOM 207 CG GLN A 15 4.453 1.252 1.048 1.00 0.00 C ATOM 208 CD GLN A 15 3.941 2.669 1.313 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.323 2.924 2.327 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.172 3.608 0.437 1.00 0.00 N ATOM 0 H GLN A 15 5.642 -0.031 -0.926 1.00 0.00 H new ATOM 0 HA GLN A 15 3.874 -1.465 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.339 1.009 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.466 0.502 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.594 0.723 1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.425 1.291 0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.691 3.394 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.834 4.556 0.604 1.00 0.00 H new ATOM 219 N LEU A 16 3.516 -1.657 -2.313 1.00 0.00 N ATOM 220 CA LEU A 16 2.736 -2.318 -3.392 1.00 0.00 C ATOM 221 C LEU A 16 2.684 -3.823 -3.126 1.00 0.00 C ATOM 222 O LEU A 16 1.807 -4.518 -3.596 1.00 0.00 O ATOM 223 CB LEU A 16 3.430 -2.059 -4.729 1.00 0.00 C ATOM 224 CG LEU A 16 2.787 -0.858 -5.424 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.456 -0.632 -6.781 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.296 -1.131 -5.633 1.00 0.00 C ATOM 0 H LEU A 16 4.405 -1.254 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 16 1.721 -1.921 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.492 -1.872 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.355 -2.941 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 16 2.914 0.030 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.997 0.224 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.519 -0.440 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.330 -1.519 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.836 -0.276 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.172 -2.019 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.817 -1.292 -4.667 1.00 0.00 H new ATOM 238 N GLU A 17 3.621 -4.327 -2.372 1.00 0.00 N ATOM 239 CA GLU A 17 3.633 -5.787 -2.069 1.00 0.00 C ATOM 240 C GLU A 17 2.512 -6.106 -1.082 1.00 0.00 C ATOM 241 O GLU A 17 1.938 -7.178 -1.095 1.00 0.00 O ATOM 242 CB GLU A 17 4.981 -6.170 -1.453 1.00 0.00 C ATOM 243 CG GLU A 17 6.069 -6.122 -2.526 1.00 0.00 C ATOM 244 CD GLU A 17 7.442 -6.273 -1.866 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.675 -7.305 -1.259 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.236 -5.354 -1.978 1.00 0.00 O ATOM 0 H GLU A 17 4.380 -3.791 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 17 3.482 -6.353 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.228 -5.487 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.924 -7.170 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.913 -6.919 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.017 -5.179 -3.070 1.00 0.00 H new ATOM 253 N ASN A 18 2.195 -5.175 -0.231 1.00 0.00 N ATOM 254 CA ASN A 18 1.112 -5.403 0.761 1.00 0.00 C ATOM 255 C ASN A 18 -0.245 -5.350 0.055 1.00 0.00 C ATOM 256 O ASN A 18 -1.280 -5.540 0.663 1.00 0.00 O ATOM 257 CB ASN A 18 1.179 -4.312 1.831 1.00 0.00 C ATOM 258 CG ASN A 18 1.942 -4.834 3.049 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.357 -5.403 3.950 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.234 -4.664 3.115 1.00 0.00 N ATOM 0 H ASN A 18 2.642 -4.260 -0.179 1.00 0.00 H new ATOM 0 HA ASN A 18 1.236 -6.381 1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.674 -3.427 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.172 -4.011 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.753 -5.009 3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.725 -4.187 2.359 1.00 0.00 H new ATOM 267 N TYR A 19 -0.249 -5.096 -1.226 1.00 0.00 N ATOM 268 CA TYR A 19 -1.532 -5.035 -1.972 1.00 0.00 C ATOM 269 C TYR A 19 -1.559 -6.155 -3.008 1.00 0.00 C ATOM 270 O TYR A 19 -2.090 -6.006 -4.090 1.00 0.00 O ATOM 271 CB TYR A 19 -1.644 -3.680 -2.667 1.00 0.00 C ATOM 272 CG TYR A 19 -1.663 -2.591 -1.623 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.645 -2.597 -0.624 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.697 -1.577 -1.650 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.662 -1.588 0.348 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.713 -0.568 -0.678 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.696 -0.573 0.321 1.00 0.00 C ATOM 278 OH TYR A 19 -1.711 0.421 1.279 1.00 0.00 O ATOM 0 H TYR A 19 0.586 -4.928 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.371 -5.157 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.804 -3.535 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.552 -3.640 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.389 -3.379 -0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.060 -1.573 -2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.419 -1.592 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.032 0.214 -0.699 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.973 1.044 1.115 1.00 0.00 H new ATOM 288 N CYS A 20 -0.983 -7.278 -2.681 1.00 0.00 N ATOM 289 CA CYS A 20 -0.966 -8.417 -3.638 1.00 0.00 C ATOM 290 C CYS A 20 -2.066 -9.410 -3.264 1.00 0.00 C ATOM 291 O CYS A 20 -3.198 -9.287 -3.686 1.00 0.00 O ATOM 292 CB CYS A 20 0.398 -9.106 -3.573 1.00 0.00 C ATOM 293 SG CYS A 20 1.637 -8.065 -4.383 1.00 0.00 S ATOM 0 H CYS A 20 -0.522 -7.456 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.141 -8.053 -4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.679 -9.284 -2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.350 -10.079 -4.061 1.00 0.00 H new ATOM 298 N ASN A 21 -1.743 -10.392 -2.473 1.00 0.00 N ATOM 299 CA ASN A 21 -2.768 -11.394 -2.068 1.00 0.00 C ATOM 300 C ASN A 21 -2.442 -11.925 -0.670 1.00 0.00 C ATOM 301 O ASN A 21 -3.306 -12.549 -0.078 1.00 0.00 O ATOM 302 CB ASN A 21 -2.773 -12.554 -3.066 1.00 0.00 C ATOM 303 CG ASN A 21 -3.837 -12.300 -4.134 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.626 -11.386 -5.041 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -4.871 -12.937 -4.143 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -1.333 -11.696 -0.215 1.00 0.00 O ATOM 0 H ASN A 21 -0.811 -10.545 -2.088 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.750 -10.921 -2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.792 -12.653 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.977 -13.492 -2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.036 -13.652 -3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.574 -12.757 -4.860 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.241 2.014 -10.054 1.00 0.00 N ATOM 315 CA PHE B 1 9.852 1.501 -8.795 1.00 0.00 C ATOM 316 C PHE B 1 9.744 2.568 -7.703 1.00 0.00 C ATOM 317 O PHE B 1 8.833 2.557 -6.899 1.00 0.00 O ATOM 318 CB PHE B 1 11.327 1.173 -9.043 1.00 0.00 C ATOM 319 CG PHE B 1 11.539 -0.320 -8.911 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.706 -1.213 -9.602 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.569 -0.815 -8.095 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.903 -2.595 -9.478 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.763 -2.197 -7.974 1.00 0.00 C ATOM 324 CZ PHE B 1 11.931 -3.087 -8.665 1.00 0.00 C ATOM 0 H1 PHE B 1 9.314 1.289 -10.796 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.239 2.239 -9.887 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.742 2.873 -10.358 1.00 0.00 H new ATOM 0 HA PHE B 1 9.327 0.601 -8.476 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.623 1.507 -10.037 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.955 1.705 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.913 -0.835 -10.230 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.211 -0.130 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.261 -3.281 -10.010 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.556 -2.577 -7.347 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.082 -4.152 -8.571 1.00 0.00 H new ATOM 336 N VAL B 2 10.666 3.489 -7.670 1.00 0.00 N ATOM 337 CA VAL B 2 10.617 4.557 -6.634 1.00 0.00 C ATOM 338 C VAL B 2 11.114 5.869 -7.238 1.00 0.00 C ATOM 339 O VAL B 2 12.085 6.446 -6.789 1.00 0.00 O ATOM 340 CB VAL B 2 11.507 4.170 -5.457 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.494 5.294 -4.420 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.974 2.882 -4.827 1.00 0.00 C ATOM 0 H VAL B 2 11.452 3.548 -8.317 1.00 0.00 H new ATOM 0 HA VAL B 2 9.591 4.679 -6.286 1.00 0.00 H new ATOM 0 HB VAL B 2 12.528 4.011 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.129 5.020 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.869 6.212 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.475 5.453 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.606 2.600 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.954 3.043 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.981 2.084 -5.569 1.00 0.00 H new ATOM 352 N ASN B 3 10.455 6.341 -8.257 1.00 0.00 N ATOM 353 CA ASN B 3 10.884 7.614 -8.899 1.00 0.00 C ATOM 354 C ASN B 3 9.892 7.987 -10.004 1.00 0.00 C ATOM 355 O ASN B 3 9.618 9.148 -10.238 1.00 0.00 O ATOM 356 CB ASN B 3 12.277 7.431 -9.505 1.00 0.00 C ATOM 357 CG ASN B 3 13.329 7.994 -8.548 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.283 9.155 -8.191 1.00 0.00 O ATOM 359 ND2 ASN B 3 14.282 7.215 -8.115 1.00 0.00 N ATOM 0 H ASN B 3 9.636 5.900 -8.675 1.00 0.00 H new ATOM 0 HA ASN B 3 10.912 8.408 -8.153 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.468 6.374 -9.691 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.336 7.940 -10.467 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.989 7.580 -7.477 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.320 6.241 -8.415 1.00 0.00 H new ATOM 366 N GLN B 4 9.356 7.014 -10.687 1.00 0.00 N ATOM 367 CA GLN B 4 8.390 7.313 -11.780 1.00 0.00 C ATOM 368 C GLN B 4 6.980 7.449 -11.206 1.00 0.00 C ATOM 369 O GLN B 4 6.619 6.789 -10.251 1.00 0.00 O ATOM 370 CB GLN B 4 8.412 6.170 -12.793 1.00 0.00 C ATOM 371 CG GLN B 4 9.280 6.564 -13.988 1.00 0.00 C ATOM 372 CD GLN B 4 10.727 6.139 -13.731 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.075 4.988 -13.907 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.590 7.026 -13.321 1.00 0.00 N ATOM 0 H GLN B 4 9.546 6.023 -10.535 1.00 0.00 H new ATOM 0 HA GLN B 4 8.672 8.248 -12.265 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.804 5.265 -12.328 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.399 5.945 -13.125 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.906 6.089 -14.895 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.229 7.641 -14.148 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.298 7.992 -13.173 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.558 6.754 -13.148 1.00 0.00 H new ATOM 383 N HIS B 5 6.178 8.300 -11.787 1.00 0.00 N ATOM 384 CA HIS B 5 4.791 8.480 -11.282 1.00 0.00 C ATOM 385 C HIS B 5 3.938 7.279 -11.693 1.00 0.00 C ATOM 386 O HIS B 5 4.108 6.715 -12.755 1.00 0.00 O ATOM 387 CB HIS B 5 4.192 9.757 -11.877 1.00 0.00 C ATOM 388 CG HIS B 5 2.814 9.976 -11.312 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.711 10.089 -12.131 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.381 10.100 -10.020 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.654 10.276 -11.328 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.014 10.290 -10.028 1.00 0.00 N ATOM 0 H HIS B 5 6.426 8.878 -12.590 1.00 0.00 H new ATOM 0 HA HIS B 5 4.809 8.559 -10.195 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.830 10.611 -11.649 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.143 9.677 -12.963 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.005 10.056 -9.140 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.360 10.400 -11.678 1.00 0.00 H new ATOM 0 HE2 HIS B 5 0.404 10.415 -9.220 1.00 0.00 H new ATOM 400 N LEU B 6 3.024 6.884 -10.853 1.00 0.00 N ATOM 401 CA LEU B 6 2.156 5.721 -11.180 1.00 0.00 C ATOM 402 C LEU B 6 0.697 6.181 -11.215 1.00 0.00 C ATOM 403 O LEU B 6 0.392 7.304 -10.876 1.00 0.00 O ATOM 404 CB LEU B 6 2.320 4.659 -10.093 1.00 0.00 C ATOM 405 CG LEU B 6 3.571 3.825 -10.360 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.399 3.037 -11.659 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.781 4.751 -10.478 1.00 0.00 C ATOM 0 H LEU B 6 2.840 7.319 -9.949 1.00 0.00 H new ATOM 0 HA LEU B 6 2.436 5.307 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.393 5.136 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.442 4.014 -10.068 1.00 0.00 H new ATOM 0 HG LEU B 6 3.724 3.128 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.294 2.443 -11.846 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.537 2.376 -11.572 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.244 3.729 -12.487 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.676 4.158 -10.669 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.626 5.449 -11.301 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.905 5.307 -9.549 1.00 0.00 H new ATOM 419 N CYS B 7 -0.204 5.317 -11.608 1.00 0.00 N ATOM 420 CA CYS B 7 -1.652 5.689 -11.650 1.00 0.00 C ATOM 421 C CYS B 7 -2.440 4.611 -12.413 1.00 0.00 C ATOM 422 O CYS B 7 -2.741 3.564 -11.876 1.00 0.00 O ATOM 423 CB CYS B 7 -1.837 7.056 -12.330 1.00 0.00 C ATOM 424 SG CYS B 7 -2.080 8.346 -11.082 1.00 0.00 S ATOM 0 H CYS B 7 0.002 4.363 -11.904 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.028 5.757 -10.629 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.964 7.289 -12.939 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.695 7.023 -13.002 1.00 0.00 H new ATOM 429 N GLY B 8 -2.779 4.849 -13.658 1.00 0.00 N ATOM 430 CA GLY B 8 -3.552 3.832 -14.429 1.00 0.00 C ATOM 431 C GLY B 8 -2.718 2.564 -14.596 1.00 0.00 C ATOM 432 O GLY B 8 -2.092 2.095 -13.667 1.00 0.00 O ATOM 0 H GLY B 8 -2.553 5.702 -14.170 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.483 3.600 -13.911 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.822 4.232 -15.406 1.00 0.00 H new ATOM 436 N SER B 9 -2.702 2.006 -15.779 1.00 0.00 N ATOM 437 CA SER B 9 -1.902 0.771 -16.008 1.00 0.00 C ATOM 438 C SER B 9 -0.542 0.930 -15.332 1.00 0.00 C ATOM 439 O SER B 9 0.089 -0.034 -14.944 1.00 0.00 O ATOM 440 CB SER B 9 -1.707 0.560 -17.510 1.00 0.00 C ATOM 441 OG SER B 9 -2.594 -0.454 -17.962 1.00 0.00 O ATOM 0 H SER B 9 -3.208 2.353 -16.594 1.00 0.00 H new ATOM 0 HA SER B 9 -2.423 -0.091 -15.590 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.896 1.490 -18.047 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.675 0.276 -17.718 1.00 0.00 H new ATOM 0 HG SER B 9 -2.472 -0.590 -18.925 1.00 0.00 H new ATOM 447 N ASP B 10 -0.086 2.144 -15.187 1.00 0.00 N ATOM 448 CA ASP B 10 1.228 2.374 -14.533 1.00 0.00 C ATOM 449 C ASP B 10 1.218 1.746 -13.139 1.00 0.00 C ATOM 450 O ASP B 10 2.057 0.929 -12.814 1.00 0.00 O ATOM 451 CB ASP B 10 1.482 3.877 -14.415 1.00 0.00 C ATOM 452 CG ASP B 10 1.385 4.518 -15.802 1.00 0.00 C ATOM 453 OD1 ASP B 10 0.422 4.239 -16.496 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.277 5.276 -16.145 1.00 0.00 O ATOM 0 H ASP B 10 -0.570 2.987 -15.495 1.00 0.00 H new ATOM 0 HA ASP B 10 2.018 1.919 -15.131 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.754 4.329 -13.742 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.468 4.058 -13.986 1.00 0.00 H new ATOM 459 N LEU B 11 0.276 2.114 -12.309 1.00 0.00 N ATOM 460 CA LEU B 11 0.233 1.522 -10.942 1.00 0.00 C ATOM 461 C LEU B 11 -0.049 0.022 -11.051 1.00 0.00 C ATOM 462 O LEU B 11 0.421 -0.769 -10.255 1.00 0.00 O ATOM 463 CB LEU B 11 -0.872 2.196 -10.114 1.00 0.00 C ATOM 464 CG LEU B 11 -0.395 2.435 -8.673 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.607 2.496 -7.745 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.518 1.293 -8.213 1.00 0.00 C ATOM 0 H LEU B 11 -0.457 2.792 -12.517 1.00 0.00 H new ATOM 0 HA LEU B 11 1.192 1.680 -10.449 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.151 3.144 -10.573 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.764 1.570 -10.109 1.00 0.00 H new ATOM 0 HG LEU B 11 0.159 3.373 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.273 2.665 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.261 3.312 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.153 1.554 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.846 1.479 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.029 0.351 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.387 1.236 -8.868 1.00 0.00 H new ATOM 478 N VAL B 12 -0.805 -0.381 -12.036 1.00 0.00 N ATOM 479 CA VAL B 12 -1.108 -1.830 -12.194 1.00 0.00 C ATOM 480 C VAL B 12 0.166 -2.561 -12.625 1.00 0.00 C ATOM 481 O VAL B 12 0.606 -3.492 -11.980 1.00 0.00 O ATOM 482 CB VAL B 12 -2.204 -2.005 -13.254 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.173 -3.428 -13.822 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.570 -1.749 -12.613 1.00 0.00 C ATOM 0 H VAL B 12 -1.225 0.230 -12.736 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.459 -2.246 -11.250 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.031 -1.296 -14.063 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.956 -3.537 -14.573 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.202 -3.616 -14.280 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.339 -4.145 -13.018 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.352 -1.872 -13.362 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.730 -2.459 -11.801 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.602 -0.733 -12.218 1.00 0.00 H new ATOM 494 N GLU B 13 0.764 -2.142 -13.707 1.00 0.00 N ATOM 495 CA GLU B 13 2.011 -2.811 -14.169 1.00 0.00 C ATOM 496 C GLU B 13 2.932 -3.032 -12.970 1.00 0.00 C ATOM 497 O GLU B 13 3.699 -3.974 -12.926 1.00 0.00 O ATOM 498 CB GLU B 13 2.718 -1.927 -15.199 1.00 0.00 C ATOM 499 CG GLU B 13 1.909 -1.904 -16.497 1.00 0.00 C ATOM 500 CD GLU B 13 2.770 -1.327 -17.623 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.800 -1.911 -17.914 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.382 -0.311 -18.176 1.00 0.00 O ATOM 0 H GLU B 13 0.443 -1.368 -14.289 1.00 0.00 H new ATOM 0 HA GLU B 13 1.765 -3.769 -14.627 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.829 -0.915 -14.810 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.722 -2.306 -15.391 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.584 -2.912 -16.753 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.010 -1.302 -16.367 1.00 0.00 H new ATOM 509 N ALA B 14 2.859 -2.170 -11.992 1.00 0.00 N ATOM 510 CA ALA B 14 3.724 -2.327 -10.791 1.00 0.00 C ATOM 511 C ALA B 14 3.278 -3.563 -10.009 1.00 0.00 C ATOM 512 O ALA B 14 4.010 -4.524 -9.879 1.00 0.00 O ATOM 513 CB ALA B 14 3.601 -1.087 -9.904 1.00 0.00 C ATOM 0 H ALA B 14 2.236 -1.363 -11.974 1.00 0.00 H new ATOM 0 HA ALA B 14 4.762 -2.444 -11.101 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.235 -1.204 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.916 -0.206 -10.464 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.564 -0.966 -9.590 1.00 0.00 H new ATOM 519 N LEU B 15 2.080 -3.551 -9.491 1.00 0.00 N ATOM 520 CA LEU B 15 1.598 -4.733 -8.727 1.00 0.00 C ATOM 521 C LEU B 15 1.911 -6.001 -9.522 1.00 0.00 C ATOM 522 O LEU B 15 2.432 -6.963 -8.996 1.00 0.00 O ATOM 523 CB LEU B 15 0.088 -4.620 -8.513 1.00 0.00 C ATOM 524 CG LEU B 15 -0.200 -3.497 -7.517 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.573 -2.892 -7.813 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.188 -4.063 -6.093 1.00 0.00 C ATOM 0 H LEU B 15 1.419 -2.778 -9.564 1.00 0.00 H new ATOM 0 HA LEU B 15 2.095 -4.775 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.411 -4.417 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.309 -5.564 -8.139 1.00 0.00 H new ATOM 0 HG LEU B 15 0.564 -2.725 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.778 -2.091 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.583 -2.490 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.338 -3.663 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.393 -3.263 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.952 -4.835 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.790 -4.495 -5.881 1.00 0.00 H new ATOM 538 N TYR B 16 1.599 -6.004 -10.788 1.00 0.00 N ATOM 539 CA TYR B 16 1.880 -7.206 -11.623 1.00 0.00 C ATOM 540 C TYR B 16 3.345 -7.615 -11.451 1.00 0.00 C ATOM 541 O TYR B 16 3.648 -8.741 -11.108 1.00 0.00 O ATOM 542 CB TYR B 16 1.608 -6.880 -13.094 1.00 0.00 C ATOM 543 CG TYR B 16 0.349 -7.590 -13.546 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.187 -8.962 -13.301 1.00 0.00 C ATOM 545 CD2 TYR B 16 -0.659 -6.877 -14.212 1.00 0.00 C ATOM 546 CE1 TYR B 16 -0.979 -9.617 -13.721 1.00 0.00 C ATOM 547 CE2 TYR B 16 -1.824 -7.534 -14.631 1.00 0.00 C ATOM 548 CZ TYR B 16 -1.983 -8.903 -14.385 1.00 0.00 C ATOM 549 OH TYR B 16 -3.132 -9.547 -14.797 1.00 0.00 O ATOM 0 H TYR B 16 1.161 -5.226 -11.281 1.00 0.00 H new ATOM 0 HA TYR B 16 1.235 -8.027 -11.309 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.497 -5.803 -13.224 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.453 -7.190 -13.708 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.961 -9.514 -12.789 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.537 -5.821 -14.402 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.103 -10.673 -13.532 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.599 -6.984 -15.144 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.725 -8.905 -15.240 1.00 0.00 H new ATOM 559 N LEU B 17 4.261 -6.712 -11.686 1.00 0.00 N ATOM 560 CA LEU B 17 5.702 -7.057 -11.535 1.00 0.00 C ATOM 561 C LEU B 17 6.049 -7.166 -10.050 1.00 0.00 C ATOM 562 O LEU B 17 7.034 -7.770 -9.674 1.00 0.00 O ATOM 563 CB LEU B 17 6.561 -5.968 -12.181 1.00 0.00 C ATOM 564 CG LEU B 17 7.862 -6.583 -12.695 1.00 0.00 C ATOM 565 CD1 LEU B 17 7.935 -6.434 -14.215 1.00 0.00 C ATOM 566 CD2 LEU B 17 9.053 -5.865 -12.054 1.00 0.00 C ATOM 0 H LEU B 17 4.072 -5.752 -11.975 1.00 0.00 H new ATOM 0 HA LEU B 17 5.898 -8.011 -12.025 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.018 -5.501 -13.002 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.779 -5.184 -11.456 1.00 0.00 H new ATOM 0 HG LEU B 17 7.890 -7.641 -12.434 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.864 -6.873 -14.579 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.088 -6.946 -14.672 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.906 -5.377 -14.479 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.982 -6.303 -12.420 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.023 -4.807 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.003 -5.973 -10.971 1.00 0.00 H new ATOM 578 N VAL B 18 5.245 -6.590 -9.202 1.00 0.00 N ATOM 579 CA VAL B 18 5.527 -6.664 -7.742 1.00 0.00 C ATOM 580 C VAL B 18 5.031 -8.006 -7.202 1.00 0.00 C ATOM 581 O VAL B 18 5.783 -8.775 -6.634 1.00 0.00 O ATOM 582 CB VAL B 18 4.793 -5.530 -7.024 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.001 -5.666 -5.517 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.347 -4.185 -7.493 1.00 0.00 C ATOM 0 H VAL B 18 4.405 -6.071 -9.457 1.00 0.00 H new ATOM 0 HA VAL B 18 6.599 -6.571 -7.571 1.00 0.00 H new ATOM 0 HB VAL B 18 3.729 -5.584 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.479 -4.859 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.607 -6.625 -5.180 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.066 -5.611 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.824 -3.377 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.411 -4.130 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.202 -4.087 -8.569 1.00 0.00 H new ATOM 594 N CYS B 19 3.771 -8.289 -7.372 1.00 0.00 N ATOM 595 CA CYS B 19 3.216 -9.577 -6.868 1.00 0.00 C ATOM 596 C CYS B 19 3.794 -10.740 -7.677 1.00 0.00 C ATOM 597 O CYS B 19 4.557 -11.540 -7.172 1.00 0.00 O ATOM 598 CB CYS B 19 1.694 -9.558 -7.008 1.00 0.00 C ATOM 599 SG CYS B 19 1.048 -8.017 -6.314 1.00 0.00 S ATOM 0 H CYS B 19 3.098 -7.682 -7.840 1.00 0.00 H new ATOM 0 HA CYS B 19 3.485 -9.705 -5.819 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.413 -9.643 -8.058 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.259 -10.413 -6.491 1.00 0.00 H new ATOM 604 N GLY B 20 3.436 -10.845 -8.928 1.00 0.00 N ATOM 605 CA GLY B 20 3.967 -11.961 -9.761 1.00 0.00 C ATOM 606 C GLY B 20 3.277 -13.266 -9.360 1.00 0.00 C ATOM 607 O GLY B 20 2.341 -13.708 -10.000 1.00 0.00 O ATOM 0 H GLY B 20 2.800 -10.208 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.795 -11.755 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.045 -12.050 -9.625 1.00 0.00 H new ATOM 611 N GLU B 21 3.730 -13.889 -8.306 1.00 0.00 N ATOM 612 CA GLU B 21 3.102 -15.165 -7.864 1.00 0.00 C ATOM 613 C GLU B 21 1.874 -14.860 -7.004 1.00 0.00 C ATOM 614 O GLU B 21 0.764 -15.232 -7.334 1.00 0.00 O ATOM 615 CB GLU B 21 4.113 -15.969 -7.043 1.00 0.00 C ATOM 616 CG GLU B 21 3.777 -17.457 -7.138 1.00 0.00 C ATOM 617 CD GLU B 21 5.067 -18.264 -7.300 1.00 0.00 C ATOM 618 OE1 GLU B 21 5.988 -18.031 -6.536 1.00 0.00 O ATOM 619 OE2 GLU B 21 5.111 -19.102 -8.186 1.00 0.00 O ATOM 0 H GLU B 21 4.509 -13.568 -7.732 1.00 0.00 H new ATOM 0 HA GLU B 21 2.798 -15.743 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.123 -15.789 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.092 -15.646 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.245 -17.778 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.114 -17.637 -7.984 1.00 0.00 H new ATOM 626 N ARG B 22 2.060 -14.187 -5.901 1.00 0.00 N ATOM 627 CA ARG B 22 0.905 -13.859 -5.020 1.00 0.00 C ATOM 628 C ARG B 22 -0.267 -13.359 -5.869 1.00 0.00 C ATOM 629 O ARG B 22 -1.407 -13.710 -5.640 1.00 0.00 O ATOM 630 CB ARG B 22 1.314 -12.770 -4.026 1.00 0.00 C ATOM 631 CG ARG B 22 2.259 -13.363 -2.979 1.00 0.00 C ATOM 632 CD ARG B 22 3.109 -12.245 -2.377 1.00 0.00 C ATOM 633 NE ARG B 22 2.638 -11.948 -0.996 1.00 0.00 N ATOM 634 CZ ARG B 22 3.266 -11.067 -0.267 1.00 0.00 C ATOM 635 NH1 ARG B 22 4.538 -11.217 -0.018 1.00 0.00 N ATOM 636 NH2 ARG B 22 2.626 -10.035 0.210 1.00 0.00 N ATOM 0 H ARG B 22 2.965 -13.850 -5.572 1.00 0.00 H new ATOM 0 HA ARG B 22 0.601 -14.754 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.804 -11.950 -4.550 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.430 -12.355 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.687 -13.862 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.900 -14.117 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.158 -12.542 -2.359 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.042 -11.350 -2.995 1.00 0.00 H new ATOM 0 HE ARG B 22 1.824 -12.434 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.040 -12.022 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.031 -10.529 0.552 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.632 -9.916 0.013 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.119 -9.348 0.780 1.00 0.00 H new ATOM 650 N GLY B 23 0.004 -12.539 -6.849 1.00 0.00 N ATOM 651 CA GLY B 23 -1.096 -12.018 -7.708 1.00 0.00 C ATOM 652 C GLY B 23 -1.623 -10.706 -7.126 1.00 0.00 C ATOM 653 O GLY B 23 -1.001 -10.100 -6.277 1.00 0.00 O ATOM 0 H GLY B 23 0.938 -12.208 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.733 -11.858 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.901 -12.750 -7.769 1.00 0.00 H new ATOM 657 N PHE B 24 -2.770 -10.269 -7.569 1.00 0.00 N ATOM 658 CA PHE B 24 -3.343 -8.996 -7.035 1.00 0.00 C ATOM 659 C PHE B 24 -4.648 -8.673 -7.772 1.00 0.00 C ATOM 660 O PHE B 24 -4.957 -9.256 -8.793 1.00 0.00 O ATOM 661 CB PHE B 24 -2.323 -7.846 -7.201 1.00 0.00 C ATOM 662 CG PHE B 24 -2.549 -7.090 -8.507 1.00 0.00 C ATOM 663 CD1 PHE B 24 -2.299 -7.713 -9.737 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.014 -5.761 -8.483 1.00 0.00 C ATOM 665 CE1 PHE B 24 -2.509 -7.019 -10.935 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.223 -5.070 -9.684 1.00 0.00 C ATOM 667 CZ PHE B 24 -2.970 -5.699 -10.908 1.00 0.00 C ATOM 0 H PHE B 24 -3.336 -10.736 -8.277 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.559 -9.111 -5.973 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.408 -7.158 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.311 -8.249 -7.182 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.943 -8.732 -9.761 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.210 -5.274 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.315 -7.504 -11.880 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.580 -4.051 -9.665 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.131 -5.165 -11.833 1.00 0.00 H new ATOM 677 N PHE B 25 -5.412 -7.743 -7.266 1.00 0.00 N ATOM 678 CA PHE B 25 -6.691 -7.385 -7.948 1.00 0.00 C ATOM 679 C PHE B 25 -7.169 -6.006 -7.489 1.00 0.00 C ATOM 680 O PHE B 25 -8.336 -5.791 -7.237 1.00 0.00 O ATOM 681 CB PHE B 25 -7.759 -8.451 -7.659 1.00 0.00 C ATOM 682 CG PHE B 25 -8.227 -8.394 -6.217 1.00 0.00 C ATOM 683 CD1 PHE B 25 -7.522 -7.654 -5.255 1.00 0.00 C ATOM 684 CD2 PHE B 25 -9.380 -9.101 -5.841 1.00 0.00 C ATOM 685 CE1 PHE B 25 -7.971 -7.621 -3.927 1.00 0.00 C ATOM 686 CE2 PHE B 25 -9.825 -9.067 -4.515 1.00 0.00 C ATOM 687 CZ PHE B 25 -9.122 -8.327 -3.557 1.00 0.00 C ATOM 0 H PHE B 25 -5.209 -7.218 -6.415 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.519 -7.348 -9.024 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.610 -8.305 -8.325 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.354 -9.440 -7.872 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.633 -7.110 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.925 -9.673 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.428 -7.050 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.712 -9.613 -4.230 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.467 -8.301 -2.534 1.00 0.00 H new ATOM 697 N TYR B 26 -6.266 -5.069 -7.400 1.00 0.00 N ATOM 698 CA TYR B 26 -6.638 -3.685 -6.979 1.00 0.00 C ATOM 699 C TYR B 26 -7.535 -3.721 -5.738 1.00 0.00 C ATOM 700 O TYR B 26 -8.712 -4.009 -5.815 1.00 0.00 O ATOM 701 CB TYR B 26 -7.383 -2.994 -8.122 1.00 0.00 C ATOM 702 CG TYR B 26 -6.471 -1.989 -8.784 1.00 0.00 C ATOM 703 CD1 TYR B 26 -5.645 -1.170 -8.003 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.452 -1.875 -10.180 1.00 0.00 C ATOM 705 CE1 TYR B 26 -4.800 -0.238 -8.617 1.00 0.00 C ATOM 706 CE2 TYR B 26 -5.606 -0.943 -10.794 1.00 0.00 C ATOM 707 CZ TYR B 26 -4.779 -0.125 -10.013 1.00 0.00 C ATOM 708 OH TYR B 26 -3.945 0.794 -10.620 1.00 0.00 O ATOM 0 H TYR B 26 -5.275 -5.203 -7.603 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.729 -3.135 -6.737 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.718 -3.732 -8.851 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.274 -2.496 -7.740 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.660 -1.258 -6.927 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.089 -2.505 -10.782 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.164 0.394 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.591 -0.855 -11.870 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.390 1.666 -10.655 1.00 0.00 H new ATOM 718 N THR B 27 -6.988 -3.411 -4.594 1.00 0.00 N ATOM 719 CA THR B 27 -7.810 -3.412 -3.351 1.00 0.00 C ATOM 720 C THR B 27 -8.595 -2.099 -3.265 1.00 0.00 C ATOM 721 O THR B 27 -8.313 -1.153 -3.972 1.00 0.00 O ATOM 722 CB THR B 27 -6.896 -3.544 -2.131 1.00 0.00 C ATOM 723 OG1 THR B 27 -6.319 -2.282 -1.832 1.00 0.00 O ATOM 724 CG2 THR B 27 -5.789 -4.556 -2.430 1.00 0.00 C ATOM 0 H THR B 27 -6.008 -3.157 -4.467 1.00 0.00 H new ATOM 0 HA THR B 27 -8.504 -4.253 -3.372 1.00 0.00 H new ATOM 0 HB THR B 27 -7.479 -3.887 -1.276 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.735 -2.366 -1.050 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.138 -4.650 -1.561 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.234 -5.525 -2.657 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.206 -4.215 -3.285 1.00 0.00 H new ATOM 732 N LYS B 28 -9.582 -2.034 -2.411 1.00 0.00 N ATOM 733 CA LYS B 28 -10.380 -0.780 -2.296 1.00 0.00 C ATOM 734 C LYS B 28 -10.500 -0.370 -0.823 1.00 0.00 C ATOM 735 O LYS B 28 -11.575 -0.403 -0.259 1.00 0.00 O ATOM 736 CB LYS B 28 -11.778 -1.009 -2.878 1.00 0.00 C ATOM 737 CG LYS B 28 -12.036 0.001 -3.998 1.00 0.00 C ATOM 738 CD LYS B 28 -13.354 -0.334 -4.699 1.00 0.00 C ATOM 739 CE LYS B 28 -13.137 -0.347 -6.214 1.00 0.00 C ATOM 740 NZ LYS B 28 -14.264 -1.064 -6.872 1.00 0.00 N ATOM 0 H LYS B 28 -9.869 -2.792 -1.791 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.879 0.015 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.861 -2.025 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.531 -0.902 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.077 1.010 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.216 -0.019 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.719 -1.305 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.115 0.401 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.072 0.674 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.192 -0.836 -6.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.116 -1.073 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.306 -2.042 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.158 -0.579 -6.655 1.00 0.00 H new ATOM 754 N PRO B 29 -9.388 0.014 -0.251 1.00 0.00 N ATOM 755 CA PRO B 29 -9.327 0.450 1.154 1.00 0.00 C ATOM 756 C PRO B 29 -9.830 1.892 1.278 1.00 0.00 C ATOM 757 O PRO B 29 -9.590 2.717 0.419 1.00 0.00 O ATOM 758 CB PRO B 29 -7.837 0.361 1.493 1.00 0.00 C ATOM 759 CG PRO B 29 -7.078 0.434 0.145 1.00 0.00 C ATOM 760 CD PRO B 29 -8.088 0.044 -0.950 1.00 0.00 C ATOM 0 HA PRO B 29 -9.945 -0.151 1.821 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.539 1.177 2.151 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -7.612 -0.569 2.016 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.689 1.438 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -6.224 -0.244 0.144 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.091 0.768 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -7.848 -0.926 -1.386 1.00 0.00 H new ATOM 768 N THR B 30 -10.526 2.202 2.336 1.00 0.00 N ATOM 769 CA THR B 30 -11.043 3.591 2.502 1.00 0.00 C ATOM 770 C THR B 30 -9.879 4.581 2.438 1.00 0.00 C ATOM 771 O THR B 30 -10.113 5.716 2.057 1.00 0.00 O ATOM 772 CB THR B 30 -11.748 3.719 3.856 1.00 0.00 C ATOM 773 OG1 THR B 30 -12.018 5.090 4.126 1.00 0.00 O ATOM 774 CG2 THR B 30 -10.854 3.151 4.959 1.00 0.00 C ATOM 775 OXT THR B 30 -8.772 4.188 2.770 1.00 0.00 O ATOM 0 H THR B 30 -10.759 1.557 3.091 1.00 0.00 H new ATOM 0 HA THR B 30 -11.751 3.810 1.703 1.00 0.00 H new ATOM 0 HB THR B 30 -12.685 3.162 3.826 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.470 5.170 4.992 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.359 3.244 5.921 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.650 2.100 4.756 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.915 3.704 4.987 1.00 0.00 H new TER 783 THR B 30