USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0.577 (180deg=0.576) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -71:sc= 1.12 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 12 SER OG : rot 178:sc= 0.00591 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.574 K(o=0.57,f=-5.4!) USER MOD Single : A 18 ASN : amide:sc= 0.0722 X(o=0.072,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -128:sc= 0.293 (180deg=0.00359) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.697 K(o=0.7,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) 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= 0.69 USER MOD Single : B 29 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.262) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00632 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.882 11.555 -3.140 1.00 0.00 N ATOM 2 CA GLY A 1 -4.022 10.083 -3.209 1.00 0.00 C ATOM 3 C GLY A 1 -2.778 9.409 -3.767 1.00 0.00 C ATOM 4 O GLY A 1 -1.910 10.070 -4.338 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.741 11.966 -2.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.060 11.798 -2.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.746 11.936 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.227 9.693 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.880 9.831 -3.833 1.00 0.00 H new ATOM 10 N ILE A 2 -2.671 8.079 -3.652 1.00 0.00 N ATOM 11 CA ILE A 2 -1.485 7.322 -4.116 1.00 0.00 C ATOM 12 C ILE A 2 -1.275 7.387 -5.633 1.00 0.00 C ATOM 13 O ILE A 2 -0.133 7.306 -6.074 1.00 0.00 O ATOM 14 CB ILE A 2 -1.454 5.862 -3.609 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.608 4.983 -4.140 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.385 5.856 -2.070 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.394 3.489 -3.862 1.00 0.00 C ATOM 0 H ILE A 2 -3.396 7.493 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.640 7.836 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.555 5.400 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.543 5.303 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.711 5.137 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.363 4.827 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.483 6.373 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.260 6.363 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.236 2.921 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.474 3.157 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.319 3.326 -2.787 1.00 0.00 H new ATOM 29 N VAL A 3 -2.334 7.628 -6.416 1.00 0.00 N ATOM 30 CA VAL A 3 -2.239 7.900 -7.867 1.00 0.00 C ATOM 31 C VAL A 3 -1.365 9.132 -8.161 1.00 0.00 C ATOM 32 O VAL A 3 -0.695 9.171 -9.192 1.00 0.00 O ATOM 33 CB VAL A 3 -3.648 8.054 -8.491 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.634 8.498 -9.964 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.428 6.729 -8.417 1.00 0.00 C ATOM 0 H VAL A 3 -3.291 7.641 -6.063 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.752 7.042 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.128 8.836 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.658 8.583 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.138 9.465 -10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.097 7.761 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.414 6.862 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.886 5.957 -8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.537 6.429 -7.375 1.00 0.00 H new ATOM 45 N GLU A 4 -1.321 10.110 -7.248 1.00 0.00 N ATOM 46 CA GLU A 4 -0.396 11.246 -7.314 1.00 0.00 C ATOM 47 C GLU A 4 0.973 10.870 -6.739 1.00 0.00 C ATOM 48 O GLU A 4 1.996 11.113 -7.379 1.00 0.00 O ATOM 49 CB GLU A 4 -0.946 12.448 -6.527 1.00 0.00 C ATOM 50 CG GLU A 4 -2.319 12.936 -6.993 1.00 0.00 C ATOM 51 CD GLU A 4 -2.817 14.022 -6.036 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.480 13.665 -5.034 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.542 15.218 -6.284 1.00 0.00 O ATOM 0 H GLU A 4 -1.934 10.134 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.289 11.515 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.009 12.178 -5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.236 13.272 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.254 13.330 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.024 12.105 -7.019 1.00 0.00 H new ATOM 60 N GLN A 5 1.010 10.288 -5.536 1.00 0.00 N ATOM 61 CA GLN A 5 2.245 10.081 -4.772 1.00 0.00 C ATOM 62 C GLN A 5 3.208 9.114 -5.473 1.00 0.00 C ATOM 63 O GLN A 5 4.393 9.421 -5.595 1.00 0.00 O ATOM 64 CB GLN A 5 1.889 9.601 -3.356 1.00 0.00 C ATOM 65 CG GLN A 5 3.108 9.563 -2.419 1.00 0.00 C ATOM 66 CD GLN A 5 2.715 9.136 -1.004 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.846 7.983 -0.614 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.203 10.037 -0.185 1.00 0.00 N ATOM 0 H GLN A 5 0.176 9.944 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 5 2.774 11.032 -4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.131 10.260 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.449 8.605 -3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.851 8.871 -2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.574 10.548 -2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.088 11.002 -0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.923 9.768 0.758 1.00 0.00 H new ATOM 77 N CYS A 6 2.717 7.975 -5.975 1.00 0.00 N ATOM 78 CA CYS A 6 3.526 7.014 -6.741 1.00 0.00 C ATOM 79 C CYS A 6 3.989 7.552 -8.104 1.00 0.00 C ATOM 80 O CYS A 6 4.907 6.993 -8.709 1.00 0.00 O ATOM 81 CB CYS A 6 2.701 5.743 -6.970 1.00 0.00 C ATOM 82 SG CYS A 6 2.681 4.534 -5.626 1.00 0.00 S ATOM 0 H CYS A 6 1.744 7.691 -5.862 1.00 0.00 H new ATOM 0 HA CYS A 6 4.422 6.816 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.672 6.038 -7.177 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.078 5.250 -7.866 1.00 0.00 H new ATOM 87 N CYS A 7 3.347 8.612 -8.605 1.00 0.00 N ATOM 88 CA CYS A 7 3.617 9.197 -9.919 1.00 0.00 C ATOM 89 C CYS A 7 4.600 10.380 -9.841 1.00 0.00 C ATOM 90 O CYS A 7 5.510 10.486 -10.668 1.00 0.00 O ATOM 91 CB CYS A 7 2.267 9.615 -10.519 1.00 0.00 C ATOM 92 SG CYS A 7 2.317 10.101 -12.258 1.00 0.00 S ATOM 0 H CYS A 7 2.609 9.097 -8.095 1.00 0.00 H new ATOM 0 HA CYS A 7 4.105 8.462 -10.559 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.567 8.787 -10.410 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.871 10.447 -9.937 1.00 0.00 H new ATOM 97 N THR A 8 4.425 11.253 -8.841 1.00 0.00 N ATOM 98 CA THR A 8 5.233 12.465 -8.595 1.00 0.00 C ATOM 99 C THR A 8 6.467 12.183 -7.747 1.00 0.00 C ATOM 100 O THR A 8 7.506 12.795 -7.976 1.00 0.00 O ATOM 101 CB THR A 8 4.395 13.575 -7.951 1.00 0.00 C ATOM 102 OG1 THR A 8 3.786 13.134 -6.754 1.00 0.00 O ATOM 103 CG2 THR A 8 3.305 14.070 -8.907 1.00 0.00 C ATOM 0 H THR A 8 3.686 11.133 -8.149 1.00 0.00 H new ATOM 0 HA THR A 8 5.575 12.804 -9.573 1.00 0.00 H new ATOM 0 HB THR A 8 5.078 14.393 -7.724 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.070 12.500 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.727 14.857 -8.423 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.767 14.464 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.645 13.242 -9.166 1.00 0.00 H new ATOM 111 N SER A 9 6.384 11.238 -6.816 1.00 0.00 N ATOM 112 CA SER A 9 7.532 10.639 -6.126 1.00 0.00 C ATOM 113 C SER A 9 7.723 9.180 -6.584 1.00 0.00 C ATOM 114 O SER A 9 7.099 8.735 -7.550 1.00 0.00 O ATOM 115 CB SER A 9 7.335 10.758 -4.604 1.00 0.00 C ATOM 116 OG SER A 9 8.559 10.525 -3.916 1.00 0.00 O ATOM 0 H SER A 9 5.491 10.853 -6.508 1.00 0.00 H new ATOM 0 HA SER A 9 8.446 11.175 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.958 11.751 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.584 10.041 -4.273 1.00 0.00 H new ATOM 0 HG SER A 9 8.412 10.607 -2.951 1.00 0.00 H new ATOM 122 N ILE A 10 8.596 8.422 -5.915 1.00 0.00 N ATOM 123 CA ILE A 10 8.807 6.981 -6.126 1.00 0.00 C ATOM 124 C ILE A 10 8.097 6.175 -5.022 1.00 0.00 C ATOM 125 O ILE A 10 8.006 6.639 -3.883 1.00 0.00 O ATOM 126 CB ILE A 10 10.329 6.696 -6.221 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.591 5.352 -6.925 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.039 6.790 -4.855 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.074 5.046 -7.173 1.00 0.00 C ATOM 0 H ILE A 10 9.198 8.805 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 10 8.363 6.660 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 10 10.768 7.483 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.163 4.551 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.067 5.348 -7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.101 6.581 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.912 7.793 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.606 6.062 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.168 4.082 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.506 5.824 -7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.603 5.015 -6.221 1.00 0.00 H new ATOM 141 N CYS A 11 7.592 4.978 -5.334 1.00 0.00 N ATOM 142 CA CYS A 11 6.949 4.089 -4.349 1.00 0.00 C ATOM 143 C CYS A 11 7.299 2.613 -4.558 1.00 0.00 C ATOM 144 O CYS A 11 7.723 2.206 -5.639 1.00 0.00 O ATOM 145 CB CYS A 11 5.432 4.321 -4.325 1.00 0.00 C ATOM 146 SG CYS A 11 4.531 3.688 -5.762 1.00 0.00 S ATOM 0 H CYS A 11 7.615 4.593 -6.278 1.00 0.00 H new ATOM 0 HA CYS A 11 7.351 4.349 -3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.024 3.857 -3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.246 5.392 -4.243 1.00 0.00 H new ATOM 151 N SER A 12 7.163 1.802 -3.511 1.00 0.00 N ATOM 152 CA SER A 12 7.578 0.393 -3.512 1.00 0.00 C ATOM 153 C SER A 12 6.420 -0.608 -3.626 1.00 0.00 C ATOM 154 O SER A 12 5.287 -0.321 -3.237 1.00 0.00 O ATOM 155 CB SER A 12 8.412 0.088 -2.264 1.00 0.00 C ATOM 156 OG SER A 12 7.629 0.134 -1.084 1.00 0.00 O ATOM 0 H SER A 12 6.757 2.104 -2.625 1.00 0.00 H new ATOM 0 HA SER A 12 8.177 0.262 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.865 -0.899 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.228 0.807 -2.187 1.00 0.00 H new ATOM 0 HG SER A 12 8.188 -0.094 -0.312 1.00 0.00 H new ATOM 162 N LEU A 13 6.715 -1.828 -4.088 1.00 0.00 N ATOM 163 CA LEU A 13 5.749 -2.935 -4.118 1.00 0.00 C ATOM 164 C LEU A 13 5.204 -3.251 -2.716 1.00 0.00 C ATOM 165 O LEU A 13 4.030 -3.581 -2.557 1.00 0.00 O ATOM 166 CB LEU A 13 6.423 -4.174 -4.737 1.00 0.00 C ATOM 167 CG LEU A 13 6.986 -3.993 -6.167 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.510 -5.341 -6.676 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.963 -3.432 -7.168 1.00 0.00 C ATOM 0 H LEU A 13 7.634 -2.078 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 13 4.896 -2.639 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.238 -4.485 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.698 -4.988 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 13 7.787 -3.257 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.908 -5.220 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.299 -5.698 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.696 -6.065 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.430 -3.333 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.113 -4.110 -7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.620 -2.455 -6.829 1.00 0.00 H new ATOM 181 N TYR A 14 6.031 -3.063 -1.687 1.00 0.00 N ATOM 182 CA TYR A 14 5.637 -3.166 -0.279 1.00 0.00 C ATOM 183 C TYR A 14 4.640 -2.076 0.167 1.00 0.00 C ATOM 184 O TYR A 14 3.803 -2.321 1.037 1.00 0.00 O ATOM 185 CB TYR A 14 6.920 -3.132 0.562 1.00 0.00 C ATOM 186 CG TYR A 14 6.701 -3.263 2.059 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.333 -4.506 2.611 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.865 -2.142 2.897 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.134 -4.630 3.999 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.666 -2.257 4.286 1.00 0.00 C ATOM 191 CZ TYR A 14 6.300 -3.506 4.841 1.00 0.00 C ATOM 192 OH TYR A 14 6.112 -3.630 6.186 1.00 0.00 O ATOM 0 H TYR A 14 7.016 -2.829 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 14 5.099 -4.103 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.576 -3.938 0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.442 -2.196 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.203 -5.364 1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.145 -1.190 2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.854 -5.584 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.792 -1.396 4.925 1.00 0.00 H new ATOM 0 HH TYR A 14 6.266 -2.765 6.619 1.00 0.00 H new ATOM 202 N GLN A 15 4.689 -0.890 -0.445 1.00 0.00 N ATOM 203 CA GLN A 15 3.733 0.200 -0.206 1.00 0.00 C ATOM 204 C GLN A 15 2.444 -0.014 -1.003 1.00 0.00 C ATOM 205 O GLN A 15 1.370 0.322 -0.510 1.00 0.00 O ATOM 206 CB GLN A 15 4.367 1.555 -0.561 1.00 0.00 C ATOM 207 CG GLN A 15 5.410 2.001 0.479 1.00 0.00 C ATOM 208 CD GLN A 15 6.262 3.181 -0.001 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.492 3.399 -1.183 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.775 3.995 0.900 1.00 0.00 N ATOM 0 H GLN A 15 5.405 -0.654 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 15 3.477 0.200 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.840 1.487 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.585 2.311 -0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.900 2.279 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.062 1.161 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.598 3.835 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.349 4.785 0.606 1.00 0.00 H new ATOM 219 N LEU A 16 2.521 -0.627 -2.189 1.00 0.00 N ATOM 220 CA LEU A 16 1.351 -1.119 -2.921 1.00 0.00 C ATOM 221 C LEU A 16 0.616 -2.221 -2.135 1.00 0.00 C ATOM 222 O LEU A 16 -0.612 -2.202 -2.054 1.00 0.00 O ATOM 223 CB LEU A 16 1.780 -1.625 -4.311 1.00 0.00 C ATOM 224 CG LEU A 16 1.828 -0.537 -5.401 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.998 0.446 -5.283 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.912 -1.218 -6.773 1.00 0.00 C ATOM 0 H LEU A 16 3.404 -0.796 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 16 0.651 -0.293 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.766 -2.082 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.091 -2.408 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 16 0.919 0.051 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.946 1.173 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.942 0.965 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.939 -0.100 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.947 -0.459 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.813 -1.830 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.036 -1.850 -6.920 1.00 0.00 H new ATOM 238 N GLU A 17 1.353 -3.158 -1.527 1.00 0.00 N ATOM 239 CA GLU A 17 0.781 -4.296 -0.792 1.00 0.00 C ATOM 240 C GLU A 17 -0.061 -3.878 0.434 1.00 0.00 C ATOM 241 O GLU A 17 -0.999 -4.583 0.813 1.00 0.00 O ATOM 242 CB GLU A 17 1.900 -5.277 -0.406 1.00 0.00 C ATOM 243 CG GLU A 17 1.344 -6.580 0.188 1.00 0.00 C ATOM 244 CD GLU A 17 2.378 -7.711 0.237 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.516 -7.498 0.715 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.020 -8.843 -0.169 1.00 0.00 O ATOM 0 H GLU A 17 2.373 -3.149 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 17 0.079 -4.795 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.500 -5.507 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.564 -4.803 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.980 -6.385 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.488 -6.905 -0.403 1.00 0.00 H new ATOM 253 N ASN A 18 0.201 -2.699 1.010 1.00 0.00 N ATOM 254 CA ASN A 18 -0.598 -2.112 2.096 1.00 0.00 C ATOM 255 C ASN A 18 -2.099 -1.982 1.747 1.00 0.00 C ATOM 256 O ASN A 18 -2.948 -2.012 2.639 1.00 0.00 O ATOM 257 CB ASN A 18 0.003 -0.737 2.431 1.00 0.00 C ATOM 258 CG ASN A 18 -0.731 -0.031 3.571 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.582 -0.380 4.736 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.546 0.963 3.269 1.00 0.00 N ATOM 0 H ASN A 18 0.988 -2.114 0.730 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.556 -2.780 2.956 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.052 -0.860 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.025 -0.107 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.057 1.446 4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.665 1.248 2.297 1.00 0.00 H new ATOM 267 N TYR A 19 -2.437 -1.848 0.458 1.00 0.00 N ATOM 268 CA TYR A 19 -3.795 -1.640 -0.046 1.00 0.00 C ATOM 269 C TYR A 19 -4.497 -2.920 -0.536 1.00 0.00 C ATOM 270 O TYR A 19 -5.644 -2.856 -0.989 1.00 0.00 O ATOM 271 CB TYR A 19 -3.729 -0.577 -1.145 1.00 0.00 C ATOM 272 CG TYR A 19 -3.296 0.788 -0.640 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.257 1.688 -0.137 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.932 1.132 -0.612 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.854 2.922 0.408 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.520 2.356 -0.059 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.481 3.256 0.460 1.00 0.00 C ATOM 278 OH TYR A 19 -2.088 4.435 1.020 1.00 0.00 O ATOM 0 H TYR A 19 -1.743 -1.883 -0.289 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.414 -1.305 0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.035 -0.907 -1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.709 -0.488 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.305 1.430 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.198 0.452 -1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.593 3.613 0.786 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.471 2.610 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.112 4.509 0.976 1.00 0.00 H new ATOM 288 N CYS A 20 -3.845 -4.087 -0.451 1.00 0.00 N ATOM 289 CA CYS A 20 -4.472 -5.380 -0.777 1.00 0.00 C ATOM 290 C CYS A 20 -5.595 -5.765 0.207 1.00 0.00 C ATOM 291 O CYS A 20 -5.590 -5.348 1.373 1.00 0.00 O ATOM 292 CB CYS A 20 -3.418 -6.492 -0.857 1.00 0.00 C ATOM 293 SG CYS A 20 -2.079 -6.233 -2.049 1.00 0.00 S ATOM 0 H CYS A 20 -2.872 -4.164 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.938 -5.262 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.978 -6.620 0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.922 -7.426 -1.104 1.00 0.00 H new ATOM 298 N ASN A 21 -6.546 -6.591 -0.248 1.00 0.00 N ATOM 299 CA ASN A 21 -7.725 -7.046 0.509 1.00 0.00 C ATOM 300 C ASN A 21 -7.963 -8.565 0.387 1.00 0.00 C ATOM 301 O ASN A 21 -8.263 -9.042 -0.729 1.00 0.00 O ATOM 302 CB ASN A 21 -8.951 -6.225 0.044 1.00 0.00 C ATOM 303 CG ASN A 21 -10.226 -6.581 0.796 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.179 -7.118 0.248 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.285 -6.284 2.077 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.834 -9.265 1.417 1.00 0.00 O ATOM 0 H ASN A 21 -6.516 -6.978 -1.191 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.551 -6.873 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.742 -5.164 0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.107 -6.388 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.125 -6.502 2.613 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.490 -5.836 2.534 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.070 -4.774 -1.224 1.00 0.00 N ATOM 315 CA PHE B 1 11.950 -4.714 -2.198 1.00 0.00 C ATOM 316 C PHE B 1 12.282 -3.777 -3.375 1.00 0.00 C ATOM 317 O PHE B 1 13.200 -2.964 -3.277 1.00 0.00 O ATOM 318 CB PHE B 1 10.614 -4.335 -1.514 1.00 0.00 C ATOM 319 CG PHE B 1 10.652 -3.163 -0.536 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.941 -1.858 -0.981 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.382 -3.382 0.832 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.970 -0.786 -0.069 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.397 -2.308 1.740 1.00 0.00 C ATOM 324 CZ PHE B 1 10.692 -1.011 1.290 1.00 0.00 C ATOM 0 H1 PHE B 1 13.320 -5.767 -1.043 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.895 -4.275 -1.613 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.780 -4.322 -0.333 1.00 0.00 H new ATOM 0 HA PHE B 1 11.819 -5.715 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.887 -4.105 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.244 -5.211 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.141 -1.679 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.163 -4.379 1.183 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.206 0.210 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.181 -2.481 2.784 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.705 -0.187 1.988 1.00 0.00 H new ATOM 336 N VAL B 2 11.532 -3.872 -4.482 1.00 0.00 N ATOM 337 CA VAL B 2 11.663 -3.012 -5.680 1.00 0.00 C ATOM 338 C VAL B 2 10.809 -1.745 -5.506 1.00 0.00 C ATOM 339 O VAL B 2 9.729 -1.796 -4.912 1.00 0.00 O ATOM 340 CB VAL B 2 11.263 -3.789 -6.965 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.302 -2.925 -8.236 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.193 -4.999 -7.183 1.00 0.00 C ATOM 0 H VAL B 2 10.793 -4.569 -4.577 1.00 0.00 H new ATOM 0 HA VAL B 2 12.706 -2.715 -5.790 1.00 0.00 H new ATOM 0 HB VAL B 2 10.235 -4.111 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.012 -3.529 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.610 -2.090 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.312 -2.543 -8.385 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.895 -5.529 -8.088 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.222 -4.653 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.121 -5.672 -6.329 1.00 0.00 H new ATOM 352 N ASN B 3 11.279 -0.614 -6.045 1.00 0.00 N ATOM 353 CA ASN B 3 10.553 0.659 -6.119 1.00 0.00 C ATOM 354 C ASN B 3 10.582 1.288 -7.528 1.00 0.00 C ATOM 355 O ASN B 3 11.510 1.077 -8.310 1.00 0.00 O ATOM 356 CB ASN B 3 11.027 1.614 -5.003 1.00 0.00 C ATOM 357 CG ASN B 3 12.490 2.058 -5.065 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.276 1.672 -5.921 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.904 2.898 -4.131 1.00 0.00 N ATOM 0 H ASN B 3 12.210 -0.558 -6.457 1.00 0.00 H new ATOM 0 HA ASN B 3 9.497 0.455 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.398 2.504 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.858 1.128 -4.042 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.872 3.220 -4.127 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.255 3.224 -3.415 1.00 0.00 H new ATOM 366 N GLN B 4 9.510 2.011 -7.873 1.00 0.00 N ATOM 367 CA GLN B 4 9.193 2.471 -9.228 1.00 0.00 C ATOM 368 C GLN B 4 8.389 3.781 -9.187 1.00 0.00 C ATOM 369 O GLN B 4 7.754 4.109 -8.183 1.00 0.00 O ATOM 370 CB GLN B 4 8.354 1.399 -9.963 1.00 0.00 C ATOM 371 CG GLN B 4 9.064 0.054 -10.181 1.00 0.00 C ATOM 372 CD GLN B 4 8.220 -0.907 -11.020 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.595 -1.836 -10.518 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.149 -0.722 -12.325 1.00 0.00 N ATOM 0 H GLN B 4 8.813 2.303 -7.188 1.00 0.00 H new ATOM 0 HA GLN B 4 10.132 2.642 -9.755 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.440 1.222 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.055 1.796 -10.933 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.020 0.224 -10.676 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.282 -0.402 -9.215 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.662 0.045 -12.760 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.581 -1.346 -12.898 1.00 0.00 H new ATOM 383 N HIS B 5 8.363 4.505 -10.307 1.00 0.00 N ATOM 384 CA HIS B 5 7.329 5.511 -10.572 1.00 0.00 C ATOM 385 C HIS B 5 6.145 4.845 -11.297 1.00 0.00 C ATOM 386 O HIS B 5 6.335 4.151 -12.301 1.00 0.00 O ATOM 387 CB HIS B 5 7.907 6.652 -11.423 1.00 0.00 C ATOM 388 CG HIS B 5 8.991 7.448 -10.742 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.813 8.367 -9.735 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.332 7.422 -11.026 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.012 8.887 -9.424 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.980 8.337 -10.181 1.00 0.00 N ATOM 0 H HIS B 5 9.053 4.413 -11.053 1.00 0.00 H new ATOM 0 HA HIS B 5 6.980 5.931 -9.629 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.306 6.234 -12.347 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.098 7.327 -11.702 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.924 8.612 -9.299 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.808 6.803 -11.772 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.177 9.643 -8.670 1.00 0.00 H new ATOM 400 N LEU B 6 4.931 5.045 -10.786 1.00 0.00 N ATOM 401 CA LEU B 6 3.703 4.379 -11.235 1.00 0.00 C ATOM 402 C LEU B 6 2.538 5.382 -11.220 1.00 0.00 C ATOM 403 O LEU B 6 2.274 6.017 -10.202 1.00 0.00 O ATOM 404 CB LEU B 6 3.407 3.186 -10.300 1.00 0.00 C ATOM 405 CG LEU B 6 4.414 2.017 -10.342 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.109 1.045 -9.192 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.356 1.261 -11.679 1.00 0.00 C ATOM 0 H LEU B 6 4.767 5.698 -10.020 1.00 0.00 H new ATOM 0 HA LEU B 6 3.827 4.010 -12.253 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.357 3.558 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.419 2.796 -10.546 1.00 0.00 H new ATOM 0 HG LEU B 6 5.417 2.431 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.818 0.217 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.197 1.569 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.096 0.658 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.080 0.446 -11.668 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.355 0.855 -11.824 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.592 1.945 -12.494 1.00 0.00 H new ATOM 419 N CYS B 7 1.837 5.515 -12.349 1.00 0.00 N ATOM 420 CA CYS B 7 0.762 6.491 -12.549 1.00 0.00 C ATOM 421 C CYS B 7 -0.504 5.811 -13.082 1.00 0.00 C ATOM 422 O CYS B 7 -0.423 4.990 -13.999 1.00 0.00 O ATOM 423 CB CYS B 7 1.220 7.551 -13.563 1.00 0.00 C ATOM 424 SG CYS B 7 2.807 8.382 -13.241 1.00 0.00 S ATOM 0 H CYS B 7 2.005 4.933 -13.170 1.00 0.00 H new ATOM 0 HA CYS B 7 0.535 6.954 -11.589 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.280 7.077 -14.543 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.445 8.315 -13.625 1.00 0.00 H new ATOM 429 N GLY B 8 -1.667 6.166 -12.532 1.00 0.00 N ATOM 430 CA GLY B 8 -2.996 5.821 -13.054 1.00 0.00 C ATOM 431 C GLY B 8 -3.163 4.336 -13.376 1.00 0.00 C ATOM 432 O GLY B 8 -3.051 3.480 -12.501 1.00 0.00 O ATOM 0 H GLY B 8 -1.713 6.723 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.751 6.112 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.185 6.403 -13.956 1.00 0.00 H new ATOM 436 N SER B 9 -3.394 4.024 -14.649 1.00 0.00 N ATOM 437 CA SER B 9 -3.594 2.658 -15.150 1.00 0.00 C ATOM 438 C SER B 9 -2.393 1.741 -14.882 1.00 0.00 C ATOM 439 O SER B 9 -2.568 0.557 -14.598 1.00 0.00 O ATOM 440 CB SER B 9 -3.885 2.695 -16.659 1.00 0.00 C ATOM 441 OG SER B 9 -4.986 3.548 -16.952 1.00 0.00 O ATOM 0 H SER B 9 -3.450 4.730 -15.383 1.00 0.00 H new ATOM 0 HA SER B 9 -4.443 2.243 -14.608 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.001 3.042 -17.194 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.098 1.687 -17.015 1.00 0.00 H new ATOM 0 HG SER B 9 -5.147 3.554 -17.919 1.00 0.00 H new ATOM 447 N HIS B 10 -1.169 2.277 -14.894 1.00 0.00 N ATOM 448 CA HIS B 10 0.047 1.514 -14.592 1.00 0.00 C ATOM 449 C HIS B 10 0.145 1.183 -13.092 1.00 0.00 C ATOM 450 O HIS B 10 0.530 0.070 -12.733 1.00 0.00 O ATOM 451 CB HIS B 10 1.268 2.317 -15.067 1.00 0.00 C ATOM 452 CG HIS B 10 1.240 2.656 -16.536 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.549 1.813 -17.578 1.00 0.00 N ATOM 454 CD2 HIS B 10 0.893 3.862 -17.084 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.389 2.494 -18.725 1.00 0.00 C ATOM 456 NE2 HIS B 10 0.981 3.752 -18.479 1.00 0.00 N ATOM 0 H HIS B 10 -0.992 3.257 -15.114 1.00 0.00 H new ATOM 0 HA HIS B 10 0.013 0.562 -15.121 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.330 3.241 -14.492 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.172 1.747 -14.852 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.602 4.746 -16.536 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.564 2.087 -19.710 1.00 0.00 H new ATOM 0 HE2 HIS B 10 0.777 4.477 -19.167 1.00 0.00 H new ATOM 464 N LEU B 11 -0.268 2.112 -12.215 1.00 0.00 N ATOM 465 CA LEU B 11 -0.387 1.859 -10.774 1.00 0.00 C ATOM 466 C LEU B 11 -1.504 0.849 -10.484 1.00 0.00 C ATOM 467 O LEU B 11 -1.294 -0.068 -9.701 1.00 0.00 O ATOM 468 CB LEU B 11 -0.599 3.195 -10.030 1.00 0.00 C ATOM 469 CG LEU B 11 -0.727 3.050 -8.500 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.524 2.439 -7.849 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.011 4.419 -7.881 1.00 0.00 C ATOM 0 H LEU B 11 -0.529 3.060 -12.487 1.00 0.00 H new ATOM 0 HA LEU B 11 0.537 1.412 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.236 3.859 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.499 3.674 -10.415 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.552 2.363 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.373 2.362 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.701 1.446 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.386 3.075 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.102 4.318 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.193 5.101 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.941 4.816 -8.287 1.00 0.00 H new ATOM 483 N VAL B 12 -2.658 0.975 -11.141 1.00 0.00 N ATOM 484 CA VAL B 12 -3.785 0.026 -11.035 1.00 0.00 C ATOM 485 C VAL B 12 -3.385 -1.392 -11.477 1.00 0.00 C ATOM 486 O VAL B 12 -3.710 -2.364 -10.795 1.00 0.00 O ATOM 487 CB VAL B 12 -5.008 0.554 -11.825 1.00 0.00 C ATOM 488 CG1 VAL B 12 -6.111 -0.496 -12.051 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.630 1.748 -11.080 1.00 0.00 C ATOM 0 H VAL B 12 -2.846 1.751 -11.775 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.067 -0.048 -9.985 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.625 0.840 -12.805 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.931 -0.047 -12.611 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.704 -1.336 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.480 -0.849 -11.088 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.490 2.117 -11.638 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.951 1.431 -10.088 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.890 2.543 -10.985 1.00 0.00 H new ATOM 499 N GLU B 13 -2.635 -1.512 -12.577 1.00 0.00 N ATOM 500 CA GLU B 13 -2.069 -2.785 -13.041 1.00 0.00 C ATOM 501 C GLU B 13 -1.066 -3.356 -12.023 1.00 0.00 C ATOM 502 O GLU B 13 -1.149 -4.528 -11.650 1.00 0.00 O ATOM 503 CB GLU B 13 -1.400 -2.568 -14.409 1.00 0.00 C ATOM 504 CG GLU B 13 -0.981 -3.862 -15.120 1.00 0.00 C ATOM 505 CD GLU B 13 -2.188 -4.628 -15.683 1.00 0.00 C ATOM 506 OE1 GLU B 13 -2.700 -4.243 -16.761 1.00 0.00 O ATOM 507 OE2 GLU B 13 -2.622 -5.627 -15.066 1.00 0.00 O ATOM 0 H GLU B 13 -2.401 -0.721 -13.177 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.872 -3.515 -13.142 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -2.087 -2.019 -15.053 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.519 -1.940 -14.274 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.293 -3.623 -15.931 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.441 -4.501 -14.421 1.00 0.00 H new ATOM 514 N ALA B 14 -0.139 -2.530 -11.521 1.00 0.00 N ATOM 515 CA ALA B 14 0.847 -2.945 -10.523 1.00 0.00 C ATOM 516 C ALA B 14 0.193 -3.408 -9.207 1.00 0.00 C ATOM 517 O ALA B 14 0.576 -4.454 -8.681 1.00 0.00 O ATOM 518 CB ALA B 14 1.835 -1.795 -10.302 1.00 0.00 C ATOM 0 H ALA B 14 -0.054 -1.552 -11.799 1.00 0.00 H new ATOM 0 HA ALA B 14 1.385 -3.816 -10.898 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.577 -2.090 -9.560 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.335 -1.560 -11.241 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.297 -0.916 -9.947 1.00 0.00 H new ATOM 524 N LEU B 15 -0.826 -2.698 -8.710 1.00 0.00 N ATOM 525 CA LEU B 15 -1.609 -3.094 -7.533 1.00 0.00 C ATOM 526 C LEU B 15 -2.242 -4.472 -7.736 1.00 0.00 C ATOM 527 O LEU B 15 -2.031 -5.362 -6.916 1.00 0.00 O ATOM 528 CB LEU B 15 -2.678 -2.023 -7.247 1.00 0.00 C ATOM 529 CG LEU B 15 -2.136 -0.760 -6.547 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.135 0.391 -6.704 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.907 -1.015 -5.046 1.00 0.00 C ATOM 0 H LEU B 15 -1.135 -1.817 -9.121 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.947 -3.168 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.145 -1.731 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.459 -2.462 -6.626 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.185 -0.501 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.747 1.280 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.283 0.602 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.087 0.111 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.525 -0.108 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.850 -1.297 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.184 -1.821 -4.920 1.00 0.00 H new ATOM 543 N TYR B 16 -2.934 -4.699 -8.856 1.00 0.00 N ATOM 544 CA TYR B 16 -3.490 -6.015 -9.198 1.00 0.00 C ATOM 545 C TYR B 16 -2.426 -7.130 -9.224 1.00 0.00 C ATOM 546 O TYR B 16 -2.660 -8.223 -8.703 1.00 0.00 O ATOM 547 CB TYR B 16 -4.233 -5.913 -10.541 1.00 0.00 C ATOM 548 CG TYR B 16 -4.783 -7.239 -11.030 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.878 -7.839 -10.377 1.00 0.00 C ATOM 550 CD2 TYR B 16 -4.165 -7.898 -12.111 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.367 -9.089 -10.809 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.640 -9.149 -12.541 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.743 -9.750 -11.892 1.00 0.00 C ATOM 554 OH TYR B 16 -6.198 -10.962 -12.311 1.00 0.00 O ATOM 0 H TYR B 16 -3.125 -3.978 -9.552 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.190 -6.300 -8.413 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.054 -5.203 -10.440 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.554 -5.511 -11.293 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.345 -7.339 -9.541 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.324 -7.441 -12.611 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.215 -9.540 -10.315 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.162 -9.652 -13.368 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.655 -11.272 -13.066 1.00 0.00 H new ATOM 564 N LEU B 17 -1.237 -6.849 -9.770 1.00 0.00 N ATOM 565 CA LEU B 17 -0.130 -7.810 -9.858 1.00 0.00 C ATOM 566 C LEU B 17 0.561 -8.064 -8.509 1.00 0.00 C ATOM 567 O LEU B 17 0.933 -9.204 -8.225 1.00 0.00 O ATOM 568 CB LEU B 17 0.876 -7.338 -10.928 1.00 0.00 C ATOM 569 CG LEU B 17 0.352 -7.424 -12.380 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.349 -6.722 -13.315 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.160 -8.876 -12.844 1.00 0.00 C ATOM 0 H LEU B 17 -1.013 -5.937 -10.168 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.551 -8.771 -10.153 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.156 -6.306 -10.716 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.783 -7.937 -10.846 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.622 -6.936 -12.412 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.987 -6.778 -14.341 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.449 -5.677 -13.022 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.320 -7.212 -13.246 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.209 -8.884 -13.870 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.114 -9.402 -12.797 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.561 -9.373 -12.195 1.00 0.00 H new ATOM 583 N VAL B 18 0.688 -7.041 -7.660 1.00 0.00 N ATOM 584 CA VAL B 18 1.208 -7.152 -6.281 1.00 0.00 C ATOM 585 C VAL B 18 0.245 -7.961 -5.407 1.00 0.00 C ATOM 586 O VAL B 18 0.676 -8.835 -4.653 1.00 0.00 O ATOM 587 CB VAL B 18 1.464 -5.752 -5.664 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.641 -5.768 -4.135 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.735 -5.135 -6.263 1.00 0.00 C ATOM 0 H VAL B 18 0.428 -6.087 -7.911 1.00 0.00 H new ATOM 0 HA VAL B 18 2.162 -7.678 -6.322 1.00 0.00 H new ATOM 0 HB VAL B 18 0.574 -5.168 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.816 -4.753 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.740 -6.166 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.493 -6.396 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.905 -4.152 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.588 -5.780 -6.051 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.617 -5.034 -7.342 1.00 0.00 H new ATOM 599 N CYS B 19 -1.056 -7.689 -5.515 1.00 0.00 N ATOM 600 CA CYS B 19 -2.074 -8.330 -4.682 1.00 0.00 C ATOM 601 C CYS B 19 -2.405 -9.759 -5.140 1.00 0.00 C ATOM 602 O CYS B 19 -2.655 -10.622 -4.292 1.00 0.00 O ATOM 603 CB CYS B 19 -3.306 -7.420 -4.606 1.00 0.00 C ATOM 604 SG CYS B 19 -2.980 -5.808 -3.826 1.00 0.00 S ATOM 0 H CYS B 19 -1.434 -7.017 -6.183 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.676 -8.455 -3.675 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.687 -7.255 -5.614 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.090 -7.931 -4.048 1.00 0.00 H new ATOM 609 N GLY B 20 -2.329 -10.044 -6.446 1.00 0.00 N ATOM 610 CA GLY B 20 -2.473 -11.392 -7.011 1.00 0.00 C ATOM 611 C GLY B 20 -3.902 -11.917 -6.871 1.00 0.00 C ATOM 612 O GLY B 20 -4.826 -11.377 -7.480 1.00 0.00 O ATOM 0 H GLY B 20 -2.162 -9.329 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.193 -11.376 -8.064 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.785 -12.072 -6.509 1.00 0.00 H new ATOM 616 N GLU B 21 -4.077 -12.967 -6.065 1.00 0.00 N ATOM 617 CA GLU B 21 -5.395 -13.533 -5.729 1.00 0.00 C ATOM 618 C GLU B 21 -6.217 -12.617 -4.799 1.00 0.00 C ATOM 619 O GLU B 21 -7.447 -12.720 -4.763 1.00 0.00 O ATOM 620 CB GLU B 21 -5.218 -14.910 -5.062 1.00 0.00 C ATOM 621 CG GLU B 21 -4.561 -15.972 -5.956 1.00 0.00 C ATOM 622 CD GLU B 21 -5.414 -16.313 -7.187 1.00 0.00 C ATOM 623 OE1 GLU B 21 -6.451 -17.004 -7.043 1.00 0.00 O ATOM 624 OE2 GLU B 21 -5.044 -15.913 -8.318 1.00 0.00 O ATOM 0 H GLU B 21 -3.301 -13.457 -5.620 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.947 -13.630 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.616 -14.789 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.195 -15.274 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.584 -15.614 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.390 -16.878 -5.374 1.00 0.00 H new ATOM 631 N ARG B 22 -5.560 -11.704 -4.063 1.00 0.00 N ATOM 632 CA ARG B 22 -6.200 -10.685 -3.219 1.00 0.00 C ATOM 633 C ARG B 22 -6.790 -9.548 -4.070 1.00 0.00 C ATOM 634 O ARG B 22 -6.298 -9.262 -5.169 1.00 0.00 O ATOM 635 CB ARG B 22 -5.178 -10.114 -2.217 1.00 0.00 C ATOM 636 CG ARG B 22 -4.550 -11.175 -1.290 1.00 0.00 C ATOM 637 CD ARG B 22 -3.345 -10.626 -0.508 1.00 0.00 C ATOM 638 NE ARG B 22 -2.182 -10.398 -1.392 1.00 0.00 N ATOM 639 CZ ARG B 22 -0.977 -9.989 -1.009 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.686 -9.701 0.240 1.00 0.00 N ATOM 641 NH2 ARG B 22 0.002 -9.850 -1.872 1.00 0.00 N ATOM 0 H ARG B 22 -4.541 -11.655 -4.039 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.016 -11.160 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.383 -9.613 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.668 -9.356 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.303 -11.533 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.235 -12.033 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.622 -9.691 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.072 -11.327 0.280 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.317 -10.571 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.400 -9.788 0.963 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.254 -9.391 0.486 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.154 -10.057 -2.858 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.919 -9.535 -1.556 1.00 0.00 H new ATOM 655 N GLY B 23 -7.795 -8.848 -3.538 1.00 0.00 N ATOM 656 CA GLY B 23 -8.306 -7.588 -4.089 1.00 0.00 C ATOM 657 C GLY B 23 -7.351 -6.428 -3.799 1.00 0.00 C ATOM 658 O GLY B 23 -6.314 -6.619 -3.159 1.00 0.00 O ATOM 0 H GLY B 23 -8.287 -9.146 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.444 -7.688 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.285 -7.372 -3.661 1.00 0.00 H new ATOM 662 N PHE B 24 -7.702 -5.222 -4.258 1.00 0.00 N ATOM 663 CA PHE B 24 -6.882 -4.012 -4.123 1.00 0.00 C ATOM 664 C PHE B 24 -7.722 -2.722 -4.147 1.00 0.00 C ATOM 665 O PHE B 24 -8.917 -2.750 -4.451 1.00 0.00 O ATOM 666 CB PHE B 24 -5.787 -4.003 -5.207 1.00 0.00 C ATOM 667 CG PHE B 24 -6.271 -3.695 -6.613 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.765 -4.729 -7.430 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.228 -2.378 -7.106 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.228 -4.445 -8.730 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.685 -2.094 -8.403 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.182 -3.127 -9.215 1.00 0.00 C ATOM 0 H PHE B 24 -8.583 -5.056 -4.744 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.406 -4.035 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.031 -3.268 -4.931 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.297 -4.977 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.789 -5.743 -7.059 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.842 -1.583 -6.485 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.617 -5.238 -9.352 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.654 -1.081 -8.776 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.529 -2.908 -10.214 1.00 0.00 H new ATOM 682 N PHE B 25 -7.079 -1.585 -3.849 1.00 0.00 N ATOM 683 CA PHE B 25 -7.680 -0.247 -3.842 1.00 0.00 C ATOM 684 C PHE B 25 -6.622 0.850 -4.057 1.00 0.00 C ATOM 685 O PHE B 25 -5.456 0.683 -3.704 1.00 0.00 O ATOM 686 CB PHE B 25 -8.436 -0.044 -2.514 1.00 0.00 C ATOM 687 CG PHE B 25 -9.078 1.322 -2.353 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.183 1.681 -3.149 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.554 2.248 -1.428 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.757 2.962 -3.028 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.133 3.524 -1.305 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.229 3.887 -2.107 1.00 0.00 C ATOM 0 H PHE B 25 -6.091 -1.573 -3.597 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.382 -0.169 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.211 -0.807 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.742 -0.204 -1.688 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.592 0.972 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.708 1.978 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.603 3.235 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.733 4.229 -0.591 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.664 4.871 -2.017 1.00 0.00 H new ATOM 702 N TYR B 26 -7.030 1.986 -4.629 1.00 0.00 N ATOM 703 CA TYR B 26 -6.219 3.167 -4.867 1.00 0.00 C ATOM 704 C TYR B 26 -6.990 4.465 -4.570 1.00 0.00 C ATOM 705 O TYR B 26 -8.163 4.593 -4.933 1.00 0.00 O ATOM 706 CB TYR B 26 -5.763 3.133 -6.326 1.00 0.00 C ATOM 707 CG TYR B 26 -6.859 3.035 -7.379 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.407 1.781 -7.715 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.325 4.196 -8.030 1.00 0.00 C ATOM 710 CE1 TYR B 26 -8.419 1.682 -8.688 1.00 0.00 C ATOM 711 CE2 TYR B 26 -8.336 4.107 -9.008 1.00 0.00 C ATOM 712 CZ TYR B 26 -8.887 2.847 -9.339 1.00 0.00 C ATOM 713 OH TYR B 26 -9.861 2.761 -10.291 1.00 0.00 O ATOM 0 H TYR B 26 -7.989 2.105 -4.954 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.361 3.158 -4.194 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.181 4.033 -6.522 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.091 2.285 -6.454 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.048 0.890 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.905 5.158 -7.778 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.837 0.718 -8.937 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.689 4.999 -9.504 1.00 0.00 H new ATOM 0 HH TYR B 26 -10.063 3.657 -10.634 1.00 0.00 H new ATOM 723 N THR B 27 -6.311 5.447 -3.959 1.00 0.00 N ATOM 724 CA THR B 27 -6.822 6.810 -3.769 1.00 0.00 C ATOM 725 C THR B 27 -6.415 7.695 -4.961 1.00 0.00 C ATOM 726 O THR B 27 -5.213 7.808 -5.244 1.00 0.00 O ATOM 727 CB THR B 27 -6.375 7.391 -2.421 1.00 0.00 C ATOM 728 OG1 THR B 27 -4.997 7.182 -2.226 1.00 0.00 O ATOM 729 CG2 THR B 27 -7.102 6.710 -1.263 1.00 0.00 C ATOM 0 H THR B 27 -5.375 5.312 -3.577 1.00 0.00 H new ATOM 0 HA THR B 27 -7.911 6.780 -3.739 1.00 0.00 H new ATOM 0 HB THR B 27 -6.607 8.456 -2.441 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.728 7.560 -1.363 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.767 7.140 -0.319 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.176 6.860 -1.369 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.882 5.642 -1.273 1.00 0.00 H new ATOM 737 N PRO B 28 -7.380 8.313 -5.676 1.00 0.00 N ATOM 738 CA PRO B 28 -7.123 9.180 -6.821 1.00 0.00 C ATOM 739 C PRO B 28 -6.760 10.607 -6.374 1.00 0.00 C ATOM 740 O PRO B 28 -6.640 10.894 -5.182 1.00 0.00 O ATOM 741 CB PRO B 28 -8.424 9.134 -7.637 1.00 0.00 C ATOM 742 CG PRO B 28 -9.489 9.048 -6.549 1.00 0.00 C ATOM 743 CD PRO B 28 -8.822 8.151 -5.506 1.00 0.00 C ATOM 0 HA PRO B 28 -6.268 8.851 -7.412 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.547 10.022 -8.257 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -8.455 8.273 -8.305 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.735 10.029 -6.143 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.417 8.616 -6.923 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.128 8.435 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.114 7.110 -5.646 1.00 0.00 H new ATOM 751 N LYS B 29 -6.617 11.522 -7.339 1.00 0.00 N ATOM 752 CA LYS B 29 -6.505 12.968 -7.083 1.00 0.00 C ATOM 753 C LYS B 29 -7.855 13.629 -6.713 1.00 0.00 C ATOM 754 O LYS B 29 -7.871 14.700 -6.095 1.00 0.00 O ATOM 755 CB LYS B 29 -5.864 13.606 -8.330 1.00 0.00 C ATOM 756 CG LYS B 29 -5.576 15.106 -8.144 1.00 0.00 C ATOM 757 CD LYS B 29 -4.537 15.611 -9.154 1.00 0.00 C ATOM 758 CE LYS B 29 -4.180 17.096 -8.980 1.00 0.00 C ATOM 759 NZ LYS B 29 -3.670 17.401 -7.617 1.00 0.00 N ATOM 0 H LYS B 29 -6.575 11.281 -8.329 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.879 13.134 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -4.934 13.087 -8.562 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.527 13.470 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.501 15.672 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -5.216 15.285 -7.131 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -3.630 15.014 -9.058 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -4.917 15.453 -10.163 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -3.427 17.375 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -5.062 17.705 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -2.975 18.173 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -4.461 17.689 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -3.216 16.554 -7.219 1.00 0.00 H new ATOM 773 N THR B 30 -8.978 12.996 -7.080 1.00 0.00 N ATOM 774 CA THR B 30 -10.368 13.468 -6.890 1.00 0.00 C ATOM 775 C THR B 30 -10.708 13.747 -5.422 1.00 0.00 C ATOM 776 O THR B 30 -10.521 12.852 -4.564 1.00 0.00 O ATOM 777 CB THR B 30 -11.370 12.456 -7.470 1.00 0.00 C ATOM 778 OG1 THR B 30 -10.941 12.061 -8.758 1.00 0.00 O ATOM 779 CG2 THR B 30 -12.778 13.040 -7.602 1.00 0.00 C ATOM 780 OXT THR B 30 -11.177 14.870 -5.128 1.00 0.00 O ATOM 0 H THR B 30 -8.945 12.088 -7.544 1.00 0.00 H new ATOM 0 HA THR B 30 -10.446 14.413 -7.428 1.00 0.00 H new ATOM 0 HB THR B 30 -11.409 11.612 -6.782 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.576 11.414 -9.130 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.447 12.286 -8.016 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.139 13.345 -6.620 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.752 13.905 -8.264 1.00 0.00 H new TER 788 THR B 30