USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot -56:sc= 0.935 USER MOD Set 1.2: B 3 ASN : amide:sc= 0.488 K(o=1.4,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0288 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 8 THR OG1 : rot -167:sc= 0.356 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.898 K(o=0.9,f=-3!) USER MOD Single : A 18 ASN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.1) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.68) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc=-0.00695 X(o=-0.0069,f=-0.0069) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : B 30 THR OG1 : rot -103:sc= 0.659 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.850 -3.983 -1.347 1.00 0.00 N ATOM 2 CA GLY A 1 -1.770 -3.103 -2.103 1.00 0.00 C ATOM 3 C GLY A 1 -1.075 -1.835 -2.579 1.00 0.00 C ATOM 4 O GLY A 1 -0.173 -1.333 -1.910 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.357 -4.408 -0.545 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.498 -4.736 -1.972 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.048 -3.424 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.167 -3.644 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.619 -2.838 -1.473 1.00 0.00 H new ATOM 10 N ILE A 2 -1.489 -1.303 -3.733 1.00 0.00 N ATOM 11 CA ILE A 2 -0.918 -0.089 -4.355 1.00 0.00 C ATOM 12 C ILE A 2 -1.425 1.214 -3.703 1.00 0.00 C ATOM 13 O ILE A 2 -0.667 2.164 -3.485 1.00 0.00 O ATOM 14 CB ILE A 2 -1.181 -0.151 -5.876 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.315 0.882 -6.617 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.675 -0.021 -6.238 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.431 0.751 -8.137 1.00 0.00 C ATOM 0 H ILE A 2 -2.249 -1.709 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 2 0.158 -0.069 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.887 -1.146 -6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.614 1.886 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.727 0.758 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.793 -0.072 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.234 -0.833 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.055 0.934 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.198 1.501 -8.616 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.106 -0.244 -8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.468 0.902 -8.437 1.00 0.00 H new ATOM 29 N VAL A 3 -2.700 1.228 -3.307 1.00 0.00 N ATOM 30 CA VAL A 3 -3.271 2.222 -2.382 1.00 0.00 C ATOM 31 C VAL A 3 -2.662 2.040 -0.986 1.00 0.00 C ATOM 32 O VAL A 3 -2.278 0.938 -0.593 1.00 0.00 O ATOM 33 CB VAL A 3 -4.813 2.158 -2.403 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.508 2.922 -1.270 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.299 2.780 -3.716 1.00 0.00 C ATOM 0 H VAL A 3 -3.381 0.538 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.012 3.230 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.067 1.105 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.588 2.818 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.192 2.515 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.239 3.977 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.388 2.746 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.966 3.816 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.889 2.221 -4.557 1.00 0.00 H new ATOM 45 N GLU A 4 -2.506 3.155 -0.268 1.00 0.00 N ATOM 46 CA GLU A 4 -1.674 3.295 0.950 1.00 0.00 C ATOM 47 C GLU A 4 -0.161 3.025 0.758 1.00 0.00 C ATOM 48 O GLU A 4 0.594 3.067 1.732 1.00 0.00 O ATOM 49 CB GLU A 4 -2.280 2.549 2.159 1.00 0.00 C ATOM 50 CG GLU A 4 -3.667 3.074 2.549 1.00 0.00 C ATOM 51 CD GLU A 4 -4.191 2.365 3.814 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.854 1.306 3.695 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.951 2.867 4.941 1.00 0.00 O1- ATOM 0 H GLU A 4 -2.971 4.026 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.707 4.360 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.351 1.487 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.608 2.643 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.617 4.149 2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.364 2.918 1.725 1.00 0.00 H new ATOM 60 N GLN A 5 0.307 2.835 -0.485 1.00 0.00 N ATOM 61 CA GLN A 5 1.731 2.821 -0.868 1.00 0.00 C ATOM 62 C GLN A 5 2.103 4.007 -1.780 1.00 0.00 C ATOM 63 O GLN A 5 3.134 4.644 -1.559 1.00 0.00 O ATOM 64 CB GLN A 5 2.081 1.473 -1.529 1.00 0.00 C ATOM 65 CG GLN A 5 2.740 0.456 -0.582 1.00 0.00 C ATOM 66 CD GLN A 5 1.953 0.162 0.696 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.425 0.366 1.808 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.751 -0.363 0.601 1.00 0.00 N ATOM 0 H GLN A 5 -0.314 2.682 -1.279 1.00 0.00 H new ATOM 0 HA GLN A 5 2.324 2.935 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.170 1.035 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.751 1.657 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.889 -0.479 -1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.728 0.825 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.343 -0.540 -0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.227 -0.594 1.445 1.00 0.00 H new ATOM 77 N CYS A 6 1.264 4.339 -2.772 1.00 0.00 N ATOM 78 CA CYS A 6 1.476 5.487 -3.675 1.00 0.00 C ATOM 79 C CYS A 6 0.669 6.738 -3.283 1.00 0.00 C ATOM 80 O CYS A 6 1.103 7.858 -3.549 1.00 0.00 O ATOM 81 CB CYS A 6 1.209 5.073 -5.126 1.00 0.00 C ATOM 82 SG CYS A 6 2.330 3.805 -5.784 1.00 0.00 S ATOM 0 H CYS A 6 0.412 3.816 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 6 2.521 5.779 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.186 4.705 -5.200 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.276 5.958 -5.758 1.00 0.00 H new ATOM 87 N CYS A 7 -0.455 6.582 -2.572 1.00 0.00 N ATOM 88 CA CYS A 7 -1.232 7.710 -2.028 1.00 0.00 C ATOM 89 C CYS A 7 -0.521 8.423 -0.850 1.00 0.00 C ATOM 90 O CYS A 7 -1.023 9.417 -0.321 1.00 0.00 O ATOM 91 CB CYS A 7 -2.612 7.192 -1.588 1.00 0.00 C ATOM 92 SG CYS A 7 -3.607 6.380 -2.872 1.00 0.00 S ATOM 0 H CYS A 7 -0.855 5.669 -2.356 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.335 8.457 -2.815 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.469 6.488 -0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.183 8.031 -1.191 1.00 0.00 H new ATOM 97 N THR A 8 0.616 7.877 -0.403 1.00 0.00 N ATOM 98 CA THR A 8 1.252 8.113 0.908 1.00 0.00 C ATOM 99 C THR A 8 2.761 8.391 0.812 1.00 0.00 C ATOM 100 O THR A 8 3.313 9.098 1.659 1.00 0.00 O ATOM 101 CB THR A 8 1.033 6.865 1.780 1.00 0.00 C ATOM 102 OG1 THR A 8 1.521 5.734 1.090 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.447 6.609 2.053 1.00 0.00 C ATOM 0 H THR A 8 1.150 7.222 -0.974 1.00 0.00 H new ATOM 0 HA THR A 8 0.793 9.002 1.340 1.00 0.00 H new ATOM 0 HB THR A 8 1.551 7.034 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.208 4.919 1.535 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.554 5.718 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.875 7.466 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.971 6.460 1.109 1.00 0.00 H new ATOM 111 N SER A 9 3.409 7.877 -0.241 1.00 0.00 N ATOM 112 CA SER A 9 4.791 8.144 -0.666 1.00 0.00 C ATOM 113 C SER A 9 4.840 8.265 -2.196 1.00 0.00 C ATOM 114 O SER A 9 3.981 7.718 -2.890 1.00 0.00 O ATOM 115 CB SER A 9 5.731 7.015 -0.220 1.00 0.00 C ATOM 116 OG SER A 9 5.864 6.982 1.194 1.00 0.00 O ATOM 0 H SER A 9 2.948 7.215 -0.865 1.00 0.00 H new ATOM 0 HA SER A 9 5.119 9.075 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.347 6.058 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.711 7.153 -0.676 1.00 0.00 H new ATOM 0 HG SER A 9 6.467 6.252 1.449 1.00 0.00 H new ATOM 122 N ILE A 10 5.846 8.950 -2.752 1.00 0.00 N ATOM 123 CA ILE A 10 5.976 9.113 -4.212 1.00 0.00 C ATOM 124 C ILE A 10 6.205 7.760 -4.907 1.00 0.00 C ATOM 125 O ILE A 10 6.958 6.918 -4.408 1.00 0.00 O ATOM 126 CB ILE A 10 7.060 10.164 -4.567 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.616 11.532 -3.994 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.310 10.248 -6.085 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.388 12.761 -4.487 1.00 0.00 C ATOM 0 H ILE A 10 6.586 9.403 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 10 5.033 9.501 -4.596 1.00 0.00 H new ATOM 0 HB ILE A 10 8.009 9.864 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.561 11.674 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.698 11.490 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.076 10.996 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.644 9.278 -6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.386 10.529 -6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.985 13.657 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.442 12.657 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.287 12.844 -5.569 1.00 0.00 H new ATOM 141 N CYS A 11 5.575 7.575 -6.073 1.00 0.00 N ATOM 142 CA CYS A 11 5.777 6.425 -6.959 1.00 0.00 C ATOM 143 C CYS A 11 6.254 6.867 -8.353 1.00 0.00 C ATOM 144 O CYS A 11 5.478 7.360 -9.170 1.00 0.00 O ATOM 145 CB CYS A 11 4.500 5.580 -7.019 1.00 0.00 C ATOM 146 SG CYS A 11 4.189 4.606 -5.521 1.00 0.00 S ATOM 0 H CYS A 11 4.892 8.240 -6.435 1.00 0.00 H new ATOM 0 HA CYS A 11 6.571 5.800 -6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.649 6.238 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.563 4.905 -7.872 1.00 0.00 H new ATOM 151 N SER A 12 7.544 6.665 -8.619 1.00 0.00 N ATOM 152 CA SER A 12 8.185 6.845 -9.933 1.00 0.00 C ATOM 153 C SER A 12 7.848 5.700 -10.895 1.00 0.00 C ATOM 154 O SER A 12 7.349 4.653 -10.473 1.00 0.00 O ATOM 155 CB SER A 12 9.710 6.952 -9.762 1.00 0.00 C ATOM 156 OG SER A 12 10.056 8.042 -8.925 1.00 0.00 O ATOM 0 H SER A 12 8.202 6.360 -7.901 1.00 0.00 H new ATOM 0 HA SER A 12 7.797 7.767 -10.366 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.097 6.026 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.180 7.075 -10.738 1.00 0.00 H new ATOM 0 HG SER A 12 9.675 8.868 -9.289 1.00 0.00 H new ATOM 162 N LEU A 13 8.192 5.856 -12.181 1.00 0.00 N ATOM 163 CA LEU A 13 8.061 4.813 -13.214 1.00 0.00 C ATOM 164 C LEU A 13 8.605 3.457 -12.723 1.00 0.00 C ATOM 165 O LEU A 13 7.930 2.436 -12.813 1.00 0.00 O ATOM 166 CB LEU A 13 8.850 5.248 -14.468 1.00 0.00 C ATOM 167 CG LEU A 13 8.323 6.485 -15.218 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.344 6.927 -16.266 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.013 6.190 -15.947 1.00 0.00 C ATOM 0 H LEU A 13 8.578 6.729 -12.542 1.00 0.00 H new ATOM 0 HA LEU A 13 7.003 4.691 -13.444 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.881 5.443 -14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.871 4.410 -15.165 1.00 0.00 H new ATOM 0 HG LEU A 13 8.155 7.264 -14.474 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.967 7.803 -16.794 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.285 7.176 -15.775 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.509 6.117 -16.977 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.674 7.088 -16.464 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.172 5.392 -16.672 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.257 5.879 -15.226 1.00 0.00 H new ATOM 181 N TYR A 14 9.789 3.481 -12.108 1.00 0.00 N ATOM 182 CA TYR A 14 10.514 2.300 -11.621 1.00 0.00 C ATOM 183 C TYR A 14 9.829 1.580 -10.443 1.00 0.00 C ATOM 184 O TYR A 14 10.078 0.396 -10.207 1.00 0.00 O ATOM 185 CB TYR A 14 11.926 2.744 -11.219 1.00 0.00 C ATOM 186 CG TYR A 14 12.668 3.510 -12.301 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.145 2.835 -13.442 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.844 4.904 -12.184 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.802 3.549 -14.463 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.490 5.622 -13.209 1.00 0.00 C ATOM 191 CZ TYR A 14 13.974 4.947 -14.350 1.00 0.00 C ATOM 192 OH TYR A 14 14.594 5.649 -15.338 1.00 0.00 O ATOM 0 H TYR A 14 10.289 4.352 -11.928 1.00 0.00 H new ATOM 0 HA TYR A 14 10.534 1.570 -12.431 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.859 3.368 -10.328 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.509 1.864 -10.948 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.007 1.768 -13.534 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.483 5.422 -11.308 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.174 3.028 -15.333 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.615 6.691 -13.122 1.00 0.00 H new ATOM 0 HH TYR A 14 14.625 6.598 -15.095 1.00 0.00 H new ATOM 202 N GLN A 15 8.955 2.279 -9.715 1.00 0.00 N ATOM 203 CA GLN A 15 8.111 1.730 -8.645 1.00 0.00 C ATOM 204 C GLN A 15 6.798 1.191 -9.220 1.00 0.00 C ATOM 205 O GLN A 15 6.433 0.048 -8.941 1.00 0.00 O ATOM 206 CB GLN A 15 7.863 2.813 -7.583 1.00 0.00 C ATOM 207 CG GLN A 15 9.149 3.240 -6.861 1.00 0.00 C ATOM 208 CD GLN A 15 8.870 4.475 -6.021 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.170 5.594 -6.410 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.193 4.341 -4.904 1.00 0.00 N ATOM 0 H GLN A 15 8.809 3.278 -9.857 1.00 0.00 H new ATOM 0 HA GLN A 15 8.623 0.893 -8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.411 3.684 -8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.146 2.441 -6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.510 2.430 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.934 3.450 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.938 3.411 -4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.922 5.167 -4.370 1.00 0.00 H new ATOM 219 N LEU A 16 6.140 1.970 -10.086 1.00 0.00 N ATOM 220 CA LEU A 16 4.908 1.588 -10.788 1.00 0.00 C ATOM 221 C LEU A 16 5.082 0.338 -11.681 1.00 0.00 C ATOM 222 O LEU A 16 4.154 -0.460 -11.813 1.00 0.00 O ATOM 223 CB LEU A 16 4.393 2.792 -11.580 1.00 0.00 C ATOM 224 CG LEU A 16 3.973 4.012 -10.734 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.609 5.167 -11.663 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.770 3.731 -9.830 1.00 0.00 C ATOM 0 H LEU A 16 6.458 2.909 -10.325 1.00 0.00 H new ATOM 0 HA LEU A 16 4.166 1.300 -10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.170 3.105 -12.278 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.538 2.474 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 16 4.821 4.257 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.311 6.031 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.472 5.427 -12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.783 4.868 -12.308 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.525 4.628 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.915 3.444 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.013 2.921 -9.142 1.00 0.00 H new ATOM 238 N GLU A 17 6.285 0.103 -12.216 1.00 0.00 N ATOM 239 CA GLU A 17 6.664 -1.125 -12.938 1.00 0.00 C ATOM 240 C GLU A 17 6.429 -2.421 -12.138 1.00 0.00 C ATOM 241 O GLU A 17 6.079 -3.441 -12.732 1.00 0.00 O ATOM 242 CB GLU A 17 8.150 -1.047 -13.337 1.00 0.00 C ATOM 243 CG GLU A 17 8.358 -0.291 -14.653 1.00 0.00 C ATOM 244 CD GLU A 17 9.853 -0.076 -14.958 1.00 0.00 C ATOM 245 OE1 GLU A 17 10.609 -1.071 -15.061 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 10.272 1.091 -15.154 1.00 0.00 O ATOM 0 H GLU A 17 7.047 0.779 -12.159 1.00 0.00 H new ATOM 0 HA GLU A 17 6.016 -1.175 -13.813 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.712 -0.553 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.552 -2.056 -13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.897 -0.847 -15.469 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.855 0.675 -14.601 1.00 0.00 H new ATOM 253 N ASN A 18 6.552 -2.404 -10.804 1.00 0.00 N ATOM 254 CA ASN A 18 6.313 -3.593 -9.969 1.00 0.00 C ATOM 255 C ASN A 18 4.824 -3.983 -9.936 1.00 0.00 C ATOM 256 O ASN A 18 4.489 -5.166 -9.847 1.00 0.00 O ATOM 257 CB ASN A 18 6.843 -3.362 -8.544 1.00 0.00 C ATOM 258 CG ASN A 18 8.329 -3.055 -8.517 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.178 -3.934 -8.557 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.679 -1.793 -8.475 1.00 0.00 N ATOM 0 H ASN A 18 6.818 -1.574 -10.275 1.00 0.00 H new ATOM 0 HA ASN A 18 6.856 -4.424 -10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.297 -2.537 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.648 -4.248 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.666 -1.537 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.964 -1.066 -8.442 1.00 0.00 H new ATOM 267 N TYR A 19 3.932 -2.995 -10.051 1.00 0.00 N ATOM 268 CA TYR A 19 2.481 -3.204 -10.133 1.00 0.00 C ATOM 269 C TYR A 19 2.017 -3.578 -11.554 1.00 0.00 C ATOM 270 O TYR A 19 1.019 -4.285 -11.708 1.00 0.00 O ATOM 271 CB TYR A 19 1.758 -1.961 -9.603 1.00 0.00 C ATOM 272 CG TYR A 19 2.175 -1.558 -8.196 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.619 -2.203 -7.074 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.123 -0.534 -8.014 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.008 -1.818 -5.776 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.506 -0.135 -6.720 1.00 0.00 C ATOM 277 CZ TYR A 19 2.951 -0.782 -5.594 1.00 0.00 C ATOM 278 OH TYR A 19 3.310 -0.410 -4.335 1.00 0.00 O ATOM 0 H TYR A 19 4.200 -2.012 -10.090 1.00 0.00 H new ATOM 0 HA TYR A 19 2.222 -4.058 -9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.946 -1.127 -10.280 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.684 -2.145 -9.614 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.895 -2.993 -7.209 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.560 -0.050 -8.875 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.584 -2.317 -4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.222 0.663 -6.588 1.00 0.00 H new ATOM 0 HH TYR A 19 3.968 0.315 -4.383 1.00 0.00 H new ATOM 288 N CYS A 20 2.765 -3.175 -12.590 1.00 0.00 N ATOM 289 CA CYS A 20 2.614 -3.689 -13.958 1.00 0.00 C ATOM 290 C CYS A 20 3.032 -5.171 -14.061 1.00 0.00 C ATOM 291 O CYS A 20 2.310 -5.984 -14.644 1.00 0.00 O ATOM 292 CB CYS A 20 3.448 -2.812 -14.903 1.00 0.00 C ATOM 293 SG CYS A 20 3.518 -3.350 -16.636 1.00 0.00 S ATOM 0 H CYS A 20 3.501 -2.474 -12.501 1.00 0.00 H new ATOM 0 HA CYS A 20 1.563 -3.644 -14.243 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.047 -1.799 -14.874 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.466 -2.763 -14.517 1.00 0.00 H new ATOM 298 N ASN A 21 4.179 -5.535 -13.469 1.00 0.00 N ATOM 299 CA ASN A 21 4.723 -6.897 -13.442 1.00 0.00 C ATOM 300 C ASN A 21 5.433 -7.193 -12.106 1.00 0.00 C ATOM 301 O ASN A 21 6.576 -6.776 -11.872 1.00 0.00 O ATOM 302 CB ASN A 21 5.648 -7.078 -14.665 1.00 0.00 C ATOM 303 CG ASN A 21 6.208 -8.488 -14.807 1.00 0.00 C ATOM 304 OD1 ASN A 21 5.851 -9.418 -14.096 1.00 0.00 O ATOM 305 ND2 ASN A 21 7.103 -8.696 -15.746 1.00 0.00 N ATOM 0 H ASN A 21 4.772 -4.865 -12.980 1.00 0.00 H new ATOM 0 HA ASN A 21 3.914 -7.624 -13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.094 -6.824 -15.569 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.476 -6.374 -14.590 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.496 -9.628 -15.879 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.405 -7.926 -16.342 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 4.044 12.333 -17.960 1.00 0.00 N ATOM 314 CA PHE B 1 4.020 12.003 -16.535 1.00 0.00 C ATOM 315 C PHE B 1 5.215 12.608 -15.776 1.00 0.00 C ATOM 316 O PHE B 1 6.370 12.479 -16.196 1.00 0.00 O ATOM 317 CB PHE B 1 3.979 10.474 -16.373 1.00 0.00 C ATOM 318 CG PHE B 1 4.114 9.940 -14.953 1.00 0.00 C ATOM 319 CD1 PHE B 1 3.201 10.315 -13.946 1.00 0.00 C ATOM 320 CD2 PHE B 1 5.137 9.024 -14.645 1.00 0.00 C ATOM 321 CE1 PHE B 1 3.305 9.761 -12.658 1.00 0.00 C ATOM 322 CE2 PHE B 1 5.229 8.454 -13.363 1.00 0.00 C ATOM 323 CZ PHE B 1 4.311 8.824 -12.368 1.00 0.00 C ATOM 0 H1 PHE B 1 3.221 11.904 -18.429 1.00 0.00 H new ATOM 0 H2 PHE B 1 4.011 13.366 -18.078 1.00 0.00 H new ATOM 0 H3 PHE B 1 4.917 11.964 -18.387 1.00 0.00 H new ATOM 0 HA PHE B 1 3.124 12.442 -16.096 1.00 0.00 H new ATOM 0 HB2 PHE B 1 3.038 10.112 -16.786 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.778 10.045 -16.977 1.00 0.00 H new ATOM 0 HD1 PHE B 1 2.421 11.029 -14.164 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.859 8.756 -15.402 1.00 0.00 H new ATOM 0 HE1 PHE B 1 2.608 10.057 -11.888 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.004 7.734 -13.145 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.378 8.389 -11.382 1.00 0.00 H new ATOM 333 N VAL B 2 4.928 13.218 -14.623 1.00 0.00 N ATOM 334 CA VAL B 2 5.900 13.607 -13.588 1.00 0.00 C ATOM 335 C VAL B 2 5.339 13.147 -12.242 1.00 0.00 C ATOM 336 O VAL B 2 4.214 13.503 -11.881 1.00 0.00 O ATOM 337 CB VAL B 2 6.171 15.128 -13.587 1.00 0.00 C ATOM 338 CG1 VAL B 2 7.206 15.507 -12.517 1.00 0.00 C ATOM 339 CG2 VAL B 2 6.707 15.620 -14.938 1.00 0.00 C ATOM 0 H VAL B 2 3.971 13.467 -14.371 1.00 0.00 H new ATOM 0 HA VAL B 2 6.861 13.134 -13.789 1.00 0.00 H new ATOM 0 HB VAL B 2 5.211 15.600 -13.378 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.376 16.583 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL B 2 6.834 15.220 -11.533 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.143 14.987 -12.717 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.883 16.695 -14.890 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.642 15.109 -15.166 1.00 0.00 H new ATOM 0 HG23 VAL B 2 5.977 15.406 -15.719 1.00 0.00 H new ATOM 349 N ASN B 3 6.097 12.328 -11.509 1.00 0.00 N ATOM 350 CA ASN B 3 5.601 11.693 -10.287 1.00 0.00 C ATOM 351 C ASN B 3 5.332 12.661 -9.121 1.00 0.00 C ATOM 352 O ASN B 3 5.998 13.681 -8.941 1.00 0.00 O ATOM 353 CB ASN B 3 6.526 10.556 -9.820 1.00 0.00 C ATOM 354 CG ASN B 3 8.006 10.913 -9.732 1.00 0.00 C ATOM 355 OD1 ASN B 3 8.855 10.221 -10.272 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.382 11.982 -9.067 1.00 0.00 N ATOM 0 H ASN B 3 7.061 12.089 -11.742 1.00 0.00 H new ATOM 0 HA ASN B 3 4.632 11.283 -10.573 1.00 0.00 H new ATOM 0 HB2 ASN B 3 6.192 10.218 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.412 9.714 -10.503 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.371 12.224 -9.007 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.685 12.570 -8.611 1.00 0.00 H new ATOM 363 N GLN B 4 4.413 12.226 -8.266 1.00 0.00 N ATOM 364 CA GLN B 4 4.092 12.728 -6.941 1.00 0.00 C ATOM 365 C GLN B 4 3.476 11.542 -6.172 1.00 0.00 C ATOM 366 O GLN B 4 3.696 10.376 -6.507 1.00 0.00 O ATOM 367 CB GLN B 4 3.200 13.987 -7.059 1.00 0.00 C ATOM 368 CG GLN B 4 1.860 13.798 -7.791 1.00 0.00 C ATOM 369 CD GLN B 4 1.121 15.125 -7.958 1.00 0.00 C ATOM 370 OE1 GLN B 4 0.288 15.512 -7.147 1.00 0.00 O ATOM 371 NE2 GLN B 4 1.403 15.881 -8.999 1.00 0.00 N ATOM 0 H GLN B 4 3.817 11.435 -8.511 1.00 0.00 H new ATOM 0 HA GLN B 4 4.959 13.074 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN B 4 2.994 14.357 -6.055 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.767 14.762 -7.574 1.00 0.00 H new ATOM 0 HG2 GLN B 4 2.039 13.354 -8.770 1.00 0.00 H new ATOM 0 HG3 GLN B 4 1.235 13.100 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN B 4 2.094 15.571 -9.682 1.00 0.00 H new ATOM 0 HE22 GLN B 4 0.930 16.776 -9.122 1.00 0.00 H new ATOM 380 N HIS B 5 2.703 11.830 -5.141 1.00 0.00 N ATOM 381 CA HIS B 5 1.954 10.859 -4.335 1.00 0.00 C ATOM 382 C HIS B 5 0.634 10.475 -5.033 1.00 0.00 C ATOM 383 O HIS B 5 -0.441 10.968 -4.677 1.00 0.00 O ATOM 384 CB HIS B 5 1.728 11.435 -2.929 1.00 0.00 C ATOM 385 CG HIS B 5 2.980 11.865 -2.197 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.498 11.258 -1.050 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.754 12.949 -2.504 1.00 0.00 C ATOM 388 CE1 HIS B 5 4.570 11.987 -0.695 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.744 13.010 -1.549 1.00 0.00 N ATOM 0 H HIS B 5 2.568 12.789 -4.821 1.00 0.00 H new ATOM 0 HA HIS B 5 2.530 9.939 -4.234 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.061 12.293 -3.009 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.214 10.687 -2.326 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.616 13.626 -3.334 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.202 11.780 0.156 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.483 13.711 -1.498 1.00 0.00 H new ATOM 397 N LEU B 6 0.715 9.657 -6.089 1.00 0.00 N ATOM 398 CA LEU B 6 -0.433 9.341 -6.955 1.00 0.00 C ATOM 399 C LEU B 6 -1.519 8.549 -6.209 1.00 0.00 C ATOM 400 O LEU B 6 -1.223 7.607 -5.475 1.00 0.00 O ATOM 401 CB LEU B 6 -0.037 8.561 -8.228 1.00 0.00 C ATOM 402 CG LEU B 6 0.989 9.147 -9.216 1.00 0.00 C ATOM 403 CD1 LEU B 6 1.051 10.672 -9.213 1.00 0.00 C ATOM 404 CD2 LEU B 6 2.378 8.566 -8.957 1.00 0.00 C ATOM 0 H LEU B 6 1.579 9.193 -6.370 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.830 10.311 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.344 7.592 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.953 8.374 -8.789 1.00 0.00 H new ATOM 0 HG LEU B 6 0.643 8.856 -10.208 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.796 11.007 -9.934 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.076 11.076 -9.484 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.325 11.023 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.089 8.992 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.690 8.807 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.348 7.483 -9.080 1.00 0.00 H new ATOM 416 N CYS B 7 -2.787 8.881 -6.456 1.00 0.00 N ATOM 417 CA CYS B 7 -3.937 8.188 -5.866 1.00 0.00 C ATOM 418 C CYS B 7 -5.144 8.167 -6.823 1.00 0.00 C ATOM 419 O CYS B 7 -5.279 9.048 -7.676 1.00 0.00 O ATOM 420 CB CYS B 7 -4.275 8.846 -4.522 1.00 0.00 C ATOM 421 SG CYS B 7 -5.064 7.739 -3.325 1.00 0.00 S ATOM 0 H CYS B 7 -3.049 9.646 -7.077 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.679 7.143 -5.693 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.358 9.241 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.934 9.695 -4.703 1.00 0.00 H new ATOM 426 N GLY B 8 -6.008 7.151 -6.710 1.00 0.00 N ATOM 427 CA GLY B 8 -7.198 6.987 -7.559 1.00 0.00 C ATOM 428 C GLY B 8 -6.878 6.982 -9.060 1.00 0.00 C ATOM 429 O GLY B 8 -5.973 6.278 -9.515 1.00 0.00 O ATOM 0 H GLY B 8 -5.900 6.409 -6.018 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -7.696 6.053 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.901 7.793 -7.347 1.00 0.00 H new ATOM 433 N SER B 9 -7.596 7.802 -9.833 1.00 0.00 N ATOM 434 CA SER B 9 -7.414 7.960 -11.285 1.00 0.00 C ATOM 435 C SER B 9 -5.989 8.373 -11.680 1.00 0.00 C ATOM 436 O SER B 9 -5.448 7.860 -12.659 1.00 0.00 O ATOM 437 CB SER B 9 -8.399 9.006 -11.826 1.00 0.00 C ATOM 438 OG SER B 9 -9.735 8.698 -11.448 1.00 0.00 O ATOM 0 H SER B 9 -8.340 8.391 -9.460 1.00 0.00 H new ATOM 0 HA SER B 9 -7.603 6.980 -11.723 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.130 9.992 -11.449 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.327 9.050 -12.913 1.00 0.00 H new ATOM 0 HG SER B 9 -10.341 9.381 -11.804 1.00 0.00 H new ATOM 444 N HIS B 10 -5.328 9.234 -10.896 1.00 0.00 N ATOM 445 CA HIS B 10 -3.939 9.643 -11.154 1.00 0.00 C ATOM 446 C HIS B 10 -2.952 8.479 -10.984 1.00 0.00 C ATOM 447 O HIS B 10 -1.941 8.422 -11.683 1.00 0.00 O ATOM 448 CB HIS B 10 -3.555 10.815 -10.237 1.00 0.00 C ATOM 449 CG HIS B 10 -4.491 11.999 -10.318 1.00 0.00 C ATOM 450 ND1 HIS B 10 -5.077 12.646 -9.225 1.00 0.00 N ATOM 451 CD2 HIS B 10 -4.916 12.607 -11.465 1.00 0.00 C ATOM 452 CE1 HIS B 10 -5.840 13.627 -9.739 1.00 0.00 C ATOM 453 NE2 HIS B 10 -5.761 13.625 -11.081 1.00 0.00 N ATOM 0 H HIS B 10 -5.738 9.666 -10.068 1.00 0.00 H new ATOM 0 HA HIS B 10 -3.878 9.965 -12.194 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -3.524 10.460 -9.207 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -2.548 11.145 -10.491 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -4.643 12.341 -12.476 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -6.432 14.318 -9.157 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -6.244 14.268 -11.708 1.00 0.00 H new ATOM 461 N LEU B 11 -3.262 7.527 -10.098 1.00 0.00 N ATOM 462 CA LEU B 11 -2.487 6.299 -9.899 1.00 0.00 C ATOM 463 C LEU B 11 -2.670 5.330 -11.076 1.00 0.00 C ATOM 464 O LEU B 11 -1.693 4.858 -11.661 1.00 0.00 O ATOM 465 CB LEU B 11 -2.925 5.649 -8.568 1.00 0.00 C ATOM 466 CG LEU B 11 -1.801 5.021 -7.734 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.433 4.252 -6.569 1.00 0.00 C ATOM 468 CD2 LEU B 11 -0.896 4.086 -8.525 1.00 0.00 C ATOM 0 H LEU B 11 -4.076 7.590 -9.487 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.426 6.543 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.423 6.406 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.664 4.878 -8.787 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.166 5.835 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.648 3.798 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.015 4.938 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.087 3.472 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.127 3.682 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.488 3.268 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.425 4.638 -9.338 1.00 0.00 H new ATOM 480 N VAL B 12 -3.928 5.060 -11.445 1.00 0.00 N ATOM 481 CA VAL B 12 -4.252 4.069 -12.484 1.00 0.00 C ATOM 482 C VAL B 12 -3.774 4.508 -13.871 1.00 0.00 C ATOM 483 O VAL B 12 -3.258 3.691 -14.629 1.00 0.00 O ATOM 484 CB VAL B 12 -5.744 3.670 -12.453 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.677 4.591 -13.244 1.00 0.00 C ATOM 486 CG2 VAL B 12 -5.910 2.255 -13.010 1.00 0.00 C ATOM 0 H VAL B 12 -4.744 5.516 -11.038 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.692 3.163 -12.252 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.033 3.746 -11.405 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.702 4.229 -13.162 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -6.616 5.602 -12.842 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.378 4.599 -14.292 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.963 1.976 -12.987 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.549 2.224 -14.038 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.336 1.555 -12.403 1.00 0.00 H new ATOM 496 N GLU B 13 -3.851 5.804 -14.186 1.00 0.00 N ATOM 497 CA GLU B 13 -3.301 6.368 -15.425 1.00 0.00 C ATOM 498 C GLU B 13 -1.763 6.341 -15.446 1.00 0.00 C ATOM 499 O GLU B 13 -1.176 5.978 -16.466 1.00 0.00 O ATOM 500 CB GLU B 13 -3.819 7.800 -15.642 1.00 0.00 C ATOM 501 CG GLU B 13 -5.300 7.822 -16.046 1.00 0.00 C ATOM 502 CD GLU B 13 -5.783 9.262 -16.316 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.528 9.790 -17.427 1.00 0.00 O ATOM 504 OE2 GLU B 13 -6.435 9.873 -15.435 1.00 0.00 O1- ATOM 0 H GLU B 13 -4.299 6.497 -13.586 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.644 5.738 -16.245 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.685 8.377 -14.727 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.225 8.287 -16.416 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.445 7.213 -16.939 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.902 7.376 -15.255 1.00 0.00 H new ATOM 511 N ALA B 14 -1.091 6.649 -14.330 1.00 0.00 N ATOM 512 CA ALA B 14 0.372 6.626 -14.265 1.00 0.00 C ATOM 513 C ALA B 14 0.954 5.213 -14.459 1.00 0.00 C ATOM 514 O ALA B 14 1.960 5.055 -15.157 1.00 0.00 O ATOM 515 CB ALA B 14 0.822 7.237 -12.936 1.00 0.00 C ATOM 0 H ALA B 14 -1.542 6.918 -13.456 1.00 0.00 H new ATOM 0 HA ALA B 14 0.759 7.221 -15.092 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.910 7.224 -12.879 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.468 8.266 -12.870 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.409 6.657 -12.111 1.00 0.00 H new ATOM 521 N LEU B 15 0.310 4.175 -13.904 1.00 0.00 N ATOM 522 CA LEU B 15 0.759 2.788 -14.081 1.00 0.00 C ATOM 523 C LEU B 15 0.394 2.259 -15.475 1.00 0.00 C ATOM 524 O LEU B 15 1.181 1.537 -16.079 1.00 0.00 O ATOM 525 CB LEU B 15 0.312 1.899 -12.901 1.00 0.00 C ATOM 526 CG LEU B 15 -1.152 1.418 -12.875 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.403 0.172 -13.733 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.540 1.046 -11.445 1.00 0.00 C ATOM 0 H LEU B 15 -0.526 4.272 -13.327 1.00 0.00 H new ATOM 0 HA LEU B 15 1.848 2.757 -14.051 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.954 1.018 -12.884 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.500 2.448 -11.978 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.742 2.243 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.454 -0.110 -13.667 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.150 0.388 -14.771 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.784 -0.649 -13.372 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.575 0.706 -11.426 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.889 0.248 -11.087 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.433 1.918 -10.800 1.00 0.00 H new ATOM 540 N TYR B 16 -0.745 2.676 -16.037 1.00 0.00 N ATOM 541 CA TYR B 16 -1.127 2.374 -17.421 1.00 0.00 C ATOM 542 C TYR B 16 -0.105 2.925 -18.433 1.00 0.00 C ATOM 543 O TYR B 16 0.240 2.233 -19.394 1.00 0.00 O ATOM 544 CB TYR B 16 -2.541 2.928 -17.670 1.00 0.00 C ATOM 545 CG TYR B 16 -2.844 3.328 -19.099 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.251 2.369 -20.045 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.685 4.675 -19.477 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.501 2.758 -21.377 1.00 0.00 C ATOM 549 CE2 TYR B 16 -2.930 5.067 -20.807 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.338 4.109 -21.760 1.00 0.00 C ATOM 551 OH TYR B 16 -3.574 4.495 -23.045 1.00 0.00 O ATOM 0 H TYR B 16 -1.435 3.238 -15.539 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.133 1.294 -17.567 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.266 2.176 -17.360 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.690 3.797 -17.029 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.372 1.337 -19.751 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.375 5.408 -18.747 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.817 2.024 -22.104 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.806 6.100 -21.098 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.414 5.458 -23.132 1.00 0.00 H new ATOM 561 N LEU B 17 0.434 4.128 -18.200 1.00 0.00 N ATOM 562 CA LEU B 17 1.384 4.775 -19.109 1.00 0.00 C ATOM 563 C LEU B 17 2.713 4.016 -19.163 1.00 0.00 C ATOM 564 O LEU B 17 3.215 3.719 -20.248 1.00 0.00 O ATOM 565 CB LEU B 17 1.612 6.232 -18.667 1.00 0.00 C ATOM 566 CG LEU B 17 0.499 7.213 -19.086 1.00 0.00 C ATOM 567 CD1 LEU B 17 0.708 8.557 -18.385 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.481 7.466 -20.596 1.00 0.00 C ATOM 0 H LEU B 17 0.221 4.682 -17.370 1.00 0.00 H new ATOM 0 HA LEU B 17 0.961 4.764 -20.113 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.710 6.257 -17.582 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.559 6.579 -19.081 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.449 6.757 -18.799 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.080 9.249 -18.683 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.676 8.413 -17.305 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.677 8.968 -18.667 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.321 8.163 -20.839 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.436 7.890 -20.905 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.315 6.525 -21.121 1.00 0.00 H new ATOM 580 N VAL B 18 3.262 3.654 -18.000 1.00 0.00 N ATOM 581 CA VAL B 18 4.521 2.899 -17.905 1.00 0.00 C ATOM 582 C VAL B 18 4.362 1.431 -18.316 1.00 0.00 C ATOM 583 O VAL B 18 5.273 0.860 -18.914 1.00 0.00 O ATOM 584 CB VAL B 18 5.124 3.067 -16.502 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.333 2.387 -15.392 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.559 2.556 -16.413 1.00 0.00 C ATOM 0 H VAL B 18 2.848 3.875 -17.095 1.00 0.00 H new ATOM 0 HA VAL B 18 5.225 3.315 -18.626 1.00 0.00 H new ATOM 0 HB VAL B 18 5.089 4.146 -16.349 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.829 2.556 -14.436 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.326 2.802 -15.357 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.278 1.316 -15.588 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.934 2.700 -15.400 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.584 1.495 -16.662 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.186 3.108 -17.114 1.00 0.00 H new ATOM 596 N CYS B 19 3.191 0.831 -18.085 1.00 0.00 N ATOM 597 CA CYS B 19 2.909 -0.556 -18.478 1.00 0.00 C ATOM 598 C CYS B 19 2.632 -0.702 -19.990 1.00 0.00 C ATOM 599 O CYS B 19 2.902 -1.751 -20.578 1.00 0.00 O ATOM 600 CB CYS B 19 1.765 -1.093 -17.609 1.00 0.00 C ATOM 601 SG CYS B 19 1.689 -2.893 -17.412 1.00 0.00 S ATOM 0 H CYS B 19 2.409 1.292 -17.620 1.00 0.00 H new ATOM 0 HA CYS B 19 3.798 -1.162 -18.302 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.846 -0.643 -16.620 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.821 -0.755 -18.037 1.00 0.00 H new ATOM 606 N GLY B 20 2.160 0.373 -20.635 1.00 0.00 N ATOM 607 CA GLY B 20 2.130 0.532 -22.096 1.00 0.00 C ATOM 608 C GLY B 20 3.497 0.858 -22.728 1.00 0.00 C ATOM 609 O GLY B 20 3.634 0.808 -23.952 1.00 0.00 O ATOM 0 H GLY B 20 1.777 1.179 -20.141 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.747 -0.386 -22.542 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.428 1.326 -22.349 1.00 0.00 H new ATOM 613 N GLU B 21 4.510 1.171 -21.914 1.00 0.00 N ATOM 614 CA GLU B 21 5.911 1.385 -22.314 1.00 0.00 C ATOM 615 C GLU B 21 6.758 0.113 -22.028 1.00 0.00 C ATOM 616 O GLU B 21 6.236 -1.005 -22.073 1.00 0.00 O ATOM 617 CB GLU B 21 6.428 2.664 -21.618 1.00 0.00 C ATOM 618 CG GLU B 21 7.546 3.362 -22.406 1.00 0.00 C ATOM 619 CD GLU B 21 8.254 4.419 -21.541 1.00 0.00 C ATOM 620 OE1 GLU B 21 9.166 4.039 -20.768 1.00 0.00 O ATOM 621 OE2 GLU B 21 7.902 5.621 -21.625 1.00 0.00 O1- ATOM 0 H GLU B 21 4.373 1.288 -20.910 1.00 0.00 H new ATOM 0 HA GLU B 21 5.996 1.546 -23.389 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.599 3.358 -21.482 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.796 2.408 -20.625 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.270 2.623 -22.748 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.128 3.835 -23.295 1.00 0.00 H new ATOM 628 N ARG B 22 8.065 0.266 -21.752 1.00 0.00 N ATOM 629 CA ARG B 22 9.022 -0.771 -21.334 1.00 0.00 C ATOM 630 C ARG B 22 9.020 -2.065 -22.176 1.00 0.00 C ATOM 631 O ARG B 22 9.229 -3.162 -21.650 1.00 0.00 O ATOM 632 CB ARG B 22 8.866 -1.001 -19.823 1.00 0.00 C ATOM 633 CG ARG B 22 8.875 0.249 -18.939 1.00 0.00 C ATOM 634 CD ARG B 22 10.120 1.117 -19.117 1.00 0.00 C ATOM 635 NE ARG B 22 10.353 1.845 -17.869 1.00 0.00 N ATOM 636 CZ ARG B 22 10.803 3.066 -17.674 1.00 0.00 C ATOM 637 NH1 ARG B 22 10.914 3.955 -18.618 1.00 0.00 N ATOM 638 NH2 ARG B 22 11.142 3.390 -16.465 1.00 0.00 N1+ ATOM 0 H ARG B 22 8.510 1.181 -21.820 1.00 0.00 H new ATOM 0 HA ARG B 22 10.024 -0.394 -21.539 1.00 0.00 H new ATOM 0 HB2 ARG B 22 7.930 -1.533 -19.653 1.00 0.00 H new ATOM 0 HB3 ARG B 22 9.670 -1.659 -19.493 1.00 0.00 H new ATOM 0 HG2 ARG B 22 7.991 0.847 -19.161 1.00 0.00 H new ATOM 0 HG3 ARG B 22 8.800 -0.054 -17.895 1.00 0.00 H new ATOM 0 HD2 ARG B 22 10.983 0.498 -19.363 1.00 0.00 H new ATOM 0 HD3 ARG B 22 9.982 1.814 -19.944 1.00 0.00 H new ATOM 0 HE ARG B 22 10.133 1.326 -17.019 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.644 3.721 -19.573 1.00 0.00 H new ATOM 0 HH12 ARG B 22 11.270 4.886 -18.402 1.00 0.00 H new ATOM 0 HH21 ARG B 22 11.055 2.709 -15.711 1.00 0.00 H new ATOM 0 HH22 ARG B 22 11.496 4.326 -16.268 1.00 0.00 H new ATOM 652 N GLY B 23 8.783 -1.935 -23.485 1.00 0.00 N ATOM 653 CA GLY B 23 8.819 -3.032 -24.463 1.00 0.00 C ATOM 654 C GLY B 23 10.238 -3.504 -24.813 1.00 0.00 C ATOM 655 O GLY B 23 11.218 -3.115 -24.176 1.00 0.00 O ATOM 0 H GLY B 23 8.553 -1.036 -23.909 1.00 0.00 H new ATOM 0 HA2 GLY B 23 8.252 -3.876 -24.070 1.00 0.00 H new ATOM 0 HA3 GLY B 23 8.318 -2.709 -25.376 1.00 0.00 H new HETATM 659 N DHI B 24 10.354 -4.320 -25.867 1.00 0.00 N HETATM 660 CA DHI B 24 11.596 -4.917 -26.394 1.00 0.00 C HETATM 661 C DHI B 24 12.736 -3.916 -26.680 1.00 0.00 C HETATM 662 O DHI B 24 13.907 -4.285 -26.787 1.00 0.00 O HETATM 663 CB DHI B 24 11.999 -6.085 -25.488 1.00 0.00 C HETATM 664 CG DHI B 24 10.948 -7.162 -25.385 1.00 0.00 C HETATM 665 ND1 DHI B 24 10.765 -8.214 -26.289 1.00 0.00 N HETATM 666 CD2 DHI B 24 9.999 -7.252 -24.408 1.00 0.00 C HETATM 667 CE1 DHI B 24 9.712 -8.916 -25.830 1.00 0.00 C HETATM 668 NE2 DHI B 24 9.234 -8.359 -24.703 1.00 0.00 N HETATM 0 HE2 DHI B 24 8.440 -8.698 -24.159 1.00 0.00 H new HETATM 0 HE1 DHI B 24 9.305 -9.809 -26.304 1.00 0.00 H new HETATM 0 HD2 DHI B 24 9.871 -6.579 -23.560 1.00 0.00 H new HETATM 0 HD1 DHI B 24 11.316 -8.409 -27.125 1.00 0.00 H new HETATM 0 HB3 DHI B 24 12.922 -6.525 -25.866 1.00 0.00 H new HETATM 0 HB2 DHI B 24 12.214 -5.702 -24.490 1.00 0.00 H new HETATM 0 HA DHI B 24 11.387 -5.298 -27.394 1.00 0.00 H new ATOM 676 N PHE B 25 12.385 -2.634 -26.806 1.00 0.00 N ATOM 677 CA PHE B 25 13.276 -1.504 -27.102 1.00 0.00 C ATOM 678 C PHE B 25 14.155 -1.047 -25.930 1.00 0.00 C ATOM 679 O PHE B 25 15.113 -0.285 -26.091 1.00 0.00 O ATOM 680 CB PHE B 25 12.418 -0.340 -27.616 1.00 0.00 C ATOM 681 CG PHE B 25 11.346 -0.758 -28.601 1.00 0.00 C ATOM 682 CD1 PHE B 25 11.686 -1.048 -29.934 1.00 0.00 C ATOM 683 CD2 PHE B 25 10.025 -0.948 -28.153 1.00 0.00 C ATOM 684 CE1 PHE B 25 10.704 -1.522 -30.820 1.00 0.00 C ATOM 685 CE2 PHE B 25 9.042 -1.418 -29.041 1.00 0.00 C ATOM 686 CZ PHE B 25 9.382 -1.707 -30.375 1.00 0.00 C ATOM 0 H PHE B 25 11.415 -2.337 -26.698 1.00 0.00 H new ATOM 0 HA PHE B 25 13.985 -1.847 -27.856 1.00 0.00 H new ATOM 0 HB2 PHE B 25 11.945 0.153 -26.767 1.00 0.00 H new ATOM 0 HB3 PHE B 25 13.067 0.396 -28.091 1.00 0.00 H new ATOM 0 HD1 PHE B 25 12.700 -0.907 -30.276 1.00 0.00 H new ATOM 0 HD2 PHE B 25 9.767 -0.733 -27.127 1.00 0.00 H new ATOM 0 HE1 PHE B 25 10.964 -1.745 -31.844 1.00 0.00 H new ATOM 0 HE2 PHE B 25 8.027 -1.557 -28.699 1.00 0.00 H new ATOM 0 HZ PHE B 25 8.628 -2.071 -31.058 1.00 0.00 H new ATOM 696 N TYR B 26 13.795 -1.532 -24.753 1.00 0.00 N ATOM 697 CA TYR B 26 14.388 -1.232 -23.445 1.00 0.00 C ATOM 698 C TYR B 26 15.258 -2.389 -22.926 1.00 0.00 C ATOM 699 O TYR B 26 14.859 -3.556 -22.982 1.00 0.00 O ATOM 700 CB TYR B 26 13.287 -0.872 -22.432 1.00 0.00 C ATOM 701 CG TYR B 26 12.525 0.396 -22.773 1.00 0.00 C ATOM 702 CD1 TYR B 26 11.508 0.369 -23.748 1.00 0.00 C ATOM 703 CD2 TYR B 26 12.858 1.611 -22.143 1.00 0.00 C ATOM 704 CE1 TYR B 26 10.851 1.554 -24.122 1.00 0.00 C ATOM 705 CE2 TYR B 26 12.196 2.801 -22.508 1.00 0.00 C ATOM 706 CZ TYR B 26 11.200 2.778 -23.510 1.00 0.00 C ATOM 707 OH TYR B 26 10.588 3.928 -23.907 1.00 0.00 O ATOM 0 H TYR B 26 13.024 -2.195 -24.673 1.00 0.00 H new ATOM 0 HA TYR B 26 15.047 -0.372 -23.569 1.00 0.00 H new ATOM 0 HB2 TYR B 26 12.582 -1.701 -22.367 1.00 0.00 H new ATOM 0 HB3 TYR B 26 13.738 -0.759 -21.446 1.00 0.00 H new ATOM 0 HD1 TYR B 26 11.232 -0.567 -24.210 1.00 0.00 H new ATOM 0 HD2 TYR B 26 13.621 1.631 -21.379 1.00 0.00 H new ATOM 0 HE1 TYR B 26 10.079 1.528 -24.877 1.00 0.00 H new ATOM 0 HE2 TYR B 26 12.450 3.731 -22.021 1.00 0.00 H new ATOM 0 HH TYR B 26 10.939 4.681 -23.388 1.00 0.00 H new ATOM 717 N THR B 27 16.426 -2.049 -22.367 1.00 0.00 N ATOM 718 CA THR B 27 17.391 -3.000 -21.782 1.00 0.00 C ATOM 719 C THR B 27 17.953 -2.432 -20.468 1.00 0.00 C ATOM 720 O THR B 27 18.706 -1.451 -20.514 1.00 0.00 O ATOM 721 CB THR B 27 18.546 -3.298 -22.762 1.00 0.00 C ATOM 722 OG1 THR B 27 18.045 -3.759 -24.003 1.00 0.00 O ATOM 723 CG2 THR B 27 19.483 -4.389 -22.236 1.00 0.00 C ATOM 0 H THR B 27 16.738 -1.080 -22.305 1.00 0.00 H new ATOM 0 HA THR B 27 16.867 -3.935 -21.581 1.00 0.00 H new ATOM 0 HB THR B 27 19.090 -2.360 -22.875 1.00 0.00 H new ATOM 0 HG1 THR B 27 18.792 -3.941 -24.610 1.00 0.00 H new ATOM 0 HG21 THR B 27 20.280 -4.564 -22.959 1.00 0.00 H new ATOM 0 HG22 THR B 27 19.917 -4.070 -21.288 1.00 0.00 H new ATOM 0 HG23 THR B 27 18.920 -5.310 -22.086 1.00 0.00 H new ATOM 731 N PRO B 28 17.614 -2.998 -19.292 1.00 0.00 N ATOM 732 CA PRO B 28 18.154 -2.553 -18.006 1.00 0.00 C ATOM 733 C PRO B 28 19.626 -2.962 -17.816 1.00 0.00 C ATOM 734 O PRO B 28 20.096 -3.955 -18.383 1.00 0.00 O ATOM 735 CB PRO B 28 17.238 -3.170 -16.945 1.00 0.00 C ATOM 736 CG PRO B 28 16.750 -4.455 -17.610 1.00 0.00 C ATOM 737 CD PRO B 28 16.642 -4.065 -19.084 1.00 0.00 C ATOM 0 HA PRO B 28 18.166 -1.465 -17.936 1.00 0.00 H new ATOM 0 HB2 PRO B 28 17.775 -3.375 -16.019 1.00 0.00 H new ATOM 0 HB3 PRO B 28 16.410 -2.507 -16.693 1.00 0.00 H new ATOM 0 HG2 PRO B 28 17.450 -5.277 -17.461 1.00 0.00 H new ATOM 0 HG3 PRO B 28 15.790 -4.778 -17.207 1.00 0.00 H new ATOM 0 HD2 PRO B 28 16.855 -4.917 -19.729 1.00 0.00 H new ATOM 0 HD3 PRO B 28 15.634 -3.727 -19.325 1.00 0.00 H new ATOM 745 N LYS B 29 20.350 -2.195 -16.994 1.00 0.00 N ATOM 746 CA LYS B 29 21.752 -2.413 -16.602 1.00 0.00 C ATOM 747 C LYS B 29 22.050 -1.900 -15.176 1.00 0.00 C ATOM 748 O LYS B 29 22.633 -2.652 -14.396 1.00 0.00 O ATOM 749 CB LYS B 29 22.681 -1.831 -17.693 1.00 0.00 C ATOM 750 CG LYS B 29 24.189 -1.939 -17.389 1.00 0.00 C ATOM 751 CD LYS B 29 24.789 -0.645 -16.814 1.00 0.00 C ATOM 752 CE LYS B 29 24.911 0.440 -17.896 1.00 0.00 C ATOM 753 NZ LYS B 29 25.077 1.790 -17.301 1.00 0.00 N1+ ATOM 0 H LYS B 29 19.956 -1.361 -16.560 1.00 0.00 H new ATOM 0 HA LYS B 29 21.950 -3.483 -16.541 1.00 0.00 H new ATOM 0 HB2 LYS B 29 22.478 -2.343 -18.633 1.00 0.00 H new ATOM 0 HB3 LYS B 29 22.430 -0.781 -17.841 1.00 0.00 H new ATOM 0 HG2 LYS B 29 24.352 -2.752 -16.682 1.00 0.00 H new ATOM 0 HG3 LYS B 29 24.719 -2.201 -18.305 1.00 0.00 H new ATOM 0 HD2 LYS B 29 24.163 -0.281 -16.000 1.00 0.00 H new ATOM 0 HD3 LYS B 29 25.772 -0.853 -16.392 1.00 0.00 H new ATOM 0 HE2 LYS B 29 25.762 0.218 -18.540 1.00 0.00 H new ATOM 0 HE3 LYS B 29 24.022 0.427 -18.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 25.139 2.499 -18.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 24.261 2.004 -16.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 25.948 1.814 -16.733 1.00 0.00 H new ATOM 767 N THR B 30 21.669 -0.690 -14.745 1.00 0.00 N ATOM 768 CA THR B 30 21.087 0.462 -15.478 1.00 0.00 C ATOM 769 C THR B 30 21.932 1.713 -15.228 1.00 0.00 C ATOM 770 O THR B 30 22.023 2.166 -14.065 1.00 0.00 O ATOM 771 CB THR B 30 19.629 0.717 -15.067 1.00 0.00 C ATOM 772 OG1 THR B 30 18.872 -0.459 -15.253 1.00 0.00 O ATOM 773 CG2 THR B 30 18.970 1.804 -15.919 1.00 0.00 C ATOM 774 OXT THR B 30 22.557 2.202 -16.195 1.00 0.00 O1- ATOM 0 H THR B 30 21.770 -0.460 -13.757 1.00 0.00 H new ATOM 0 HA THR B 30 21.093 0.223 -16.542 1.00 0.00 H new ATOM 0 HB THR B 30 19.649 1.033 -14.024 1.00 0.00 H new ATOM 0 HG1 THR B 30 18.333 -0.376 -16.067 1.00 0.00 H new ATOM 0 HG21 THR B 30 17.941 1.949 -15.591 1.00 0.00 H new ATOM 0 HG22 THR B 30 19.521 2.738 -15.808 1.00 0.00 H new ATOM 0 HG23 THR B 30 18.978 1.501 -16.966 1.00 0.00 H new TER 782 THR B 30