USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.8!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0446 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00253 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=0.000782 K(o=0.00078,f=-2.5!) USER MOD Single : A 18 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.4!) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.928 USER MOD Single : A 21 ASN : amide:sc= -0.516 K(o=-0.52,f=-4.1!) USER MOD Single : B 1 PHE N :NH3+ -158:sc= 0.00967 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.841! X(o=-0.84!,f=-0.37) USER MOD Single : B 4 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -15.1! C(o=-15!,f=-18!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -3.48! C(o=-5.2!,f=-3.5!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 74:sc= -0.251 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.224 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 -6.624 2.897 4.578 1.00 0.00 N ATOM 2 CA GLY A 1 -5.506 1.999 4.045 1.00 0.00 C ATOM 3 C GLY A 1 -4.347 2.615 3.338 1.00 0.00 C ATOM 4 O GLY A 1 -3.621 3.416 3.894 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.349 2.312 5.040 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.231 3.569 5.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.054 3.422 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.111 1.433 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.961 1.280 3.363 1.00 0.00 H new ATOM 10 N ILE A 2 -4.144 2.267 2.097 1.00 0.00 N ATOM 11 CA ILE A 2 -3.004 2.851 1.335 1.00 0.00 C ATOM 12 C ILE A 2 -3.536 3.886 0.342 1.00 0.00 C ATOM 13 O ILE A 2 -2.787 4.640 -0.248 1.00 0.00 O ATOM 14 CB ILE A 2 -2.269 1.747 0.572 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.293 0.850 -0.152 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.419 0.923 1.542 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.729 -0.317 0.741 1.00 0.00 C ATOM 0 H ILE A 2 -4.718 1.603 1.578 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.313 3.328 2.030 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.609 2.194 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.164 1.441 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.857 0.464 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.898 0.138 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.690 1.571 2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.063 0.471 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.451 -0.934 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.859 -0.920 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.187 0.072 1.650 1.00 0.00 H new ATOM 29 N VAL A 3 -4.824 3.918 0.147 1.00 0.00 N ATOM 30 CA VAL A 3 -5.415 4.893 -0.816 1.00 0.00 C ATOM 31 C VAL A 3 -5.243 6.322 -0.295 1.00 0.00 C ATOM 32 O VAL A 3 -4.446 7.085 -0.805 1.00 0.00 O ATOM 33 CB VAL A 3 -6.903 4.591 -0.997 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.372 5.128 -2.351 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.122 3.078 -0.946 1.00 0.00 C ATOM 0 H VAL A 3 -5.497 3.310 0.614 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.902 4.802 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.472 5.070 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.433 4.913 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.213 6.206 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.805 4.649 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.182 2.859 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.553 2.601 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.787 2.694 0.017 1.00 0.00 H new ATOM 45 N GLU A 4 -5.988 6.699 0.709 1.00 0.00 N ATOM 46 CA GLU A 4 -5.868 8.085 1.244 1.00 0.00 C ATOM 47 C GLU A 4 -4.526 8.255 1.955 1.00 0.00 C ATOM 48 O GLU A 4 -4.054 9.357 2.155 1.00 0.00 O ATOM 49 CB GLU A 4 -7.007 8.348 2.231 1.00 0.00 C ATOM 50 CG GLU A 4 -8.351 8.172 1.519 1.00 0.00 C ATOM 51 CD GLU A 4 -9.239 7.227 2.328 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.582 7.578 3.446 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.561 6.166 1.818 1.00 0.00 O ATOM 0 H GLU A 4 -6.673 6.108 1.181 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.926 8.795 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.937 7.661 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.927 9.357 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.842 9.138 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.194 7.772 0.517 1.00 0.00 H new ATOM 60 N GLN A 5 -3.907 7.177 2.341 1.00 0.00 N ATOM 61 CA GLN A 5 -2.597 7.285 3.041 1.00 0.00 C ATOM 62 C GLN A 5 -1.485 7.506 2.018 1.00 0.00 C ATOM 63 O GLN A 5 -0.522 8.204 2.270 1.00 0.00 O ATOM 64 CB GLN A 5 -2.324 5.996 3.819 1.00 0.00 C ATOM 65 CG GLN A 5 -1.301 6.274 4.924 1.00 0.00 C ATOM 66 CD GLN A 5 -2.032 6.545 6.240 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.160 6.130 6.419 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.431 7.228 7.177 1.00 0.00 N ATOM 0 H GLN A 5 -4.250 6.226 2.203 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.626 8.128 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.250 5.617 4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.948 5.225 3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.631 5.422 5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.684 7.131 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.484 7.576 7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.908 7.413 8.059 1.00 0.00 H new ATOM 77 N CYS A 6 -1.609 6.914 0.867 1.00 0.00 N ATOM 78 CA CYS A 6 -0.559 7.082 -0.177 1.00 0.00 C ATOM 79 C CYS A 6 -1.056 8.054 -1.245 1.00 0.00 C ATOM 80 O CYS A 6 -0.284 8.671 -1.949 1.00 0.00 O ATOM 81 CB CYS A 6 -0.256 5.728 -0.822 1.00 0.00 C ATOM 82 SG CYS A 6 -0.071 4.474 0.470 1.00 0.00 S ATOM 0 H CYS A 6 -2.393 6.319 0.601 1.00 0.00 H new ATOM 0 HA CYS A 6 0.348 7.476 0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.060 5.449 -1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.656 5.792 -1.416 1.00 0.00 H new ATOM 87 N CYS A 7 -2.344 8.192 -1.364 1.00 0.00 N ATOM 88 CA CYS A 7 -2.905 9.124 -2.380 1.00 0.00 C ATOM 89 C CYS A 7 -3.116 10.498 -1.743 1.00 0.00 C ATOM 90 O CYS A 7 -2.802 11.516 -2.327 1.00 0.00 O ATOM 91 CB CYS A 7 -4.230 8.563 -2.893 1.00 0.00 C ATOM 92 SG CYS A 7 -4.691 9.400 -4.430 1.00 0.00 S ATOM 0 H CYS A 7 -3.036 7.698 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.215 9.228 -3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.140 7.490 -3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.009 8.702 -2.144 1.00 0.00 H new ATOM 97 N THR A 8 -3.623 10.539 -0.541 1.00 0.00 N ATOM 98 CA THR A 8 -3.822 11.852 0.133 1.00 0.00 C ATOM 99 C THR A 8 -2.481 12.275 0.747 1.00 0.00 C ATOM 100 O THR A 8 -2.177 13.444 0.873 1.00 0.00 O ATOM 101 CB THR A 8 -4.926 11.717 1.205 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.905 12.726 0.993 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.355 11.862 2.624 1.00 0.00 C ATOM 0 H THR A 8 -3.907 9.723 0.001 1.00 0.00 H new ATOM 0 HA THR A 8 -4.145 12.616 -0.574 1.00 0.00 H new ATOM 0 HB THR A 8 -5.369 10.725 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.610 12.645 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.160 11.762 3.352 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.610 11.086 2.797 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.890 12.842 2.731 1.00 0.00 H new ATOM 111 N SER A 9 -1.677 11.314 1.115 1.00 0.00 N ATOM 112 CA SER A 9 -0.345 11.621 1.706 1.00 0.00 C ATOM 113 C SER A 9 0.679 10.636 1.126 1.00 0.00 C ATOM 114 O SER A 9 0.709 10.405 -0.066 1.00 0.00 O ATOM 115 CB SER A 9 -0.417 11.475 3.228 1.00 0.00 C ATOM 116 OG SER A 9 0.726 12.086 3.812 1.00 0.00 O ATOM 0 H SER A 9 -1.890 10.320 1.030 1.00 0.00 H new ATOM 0 HA SER A 9 -0.048 12.642 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.327 11.941 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.461 10.421 3.502 1.00 0.00 H new ATOM 0 HG SER A 9 0.683 11.996 4.787 1.00 0.00 H new ATOM 122 N ILE A 10 1.510 10.041 1.942 1.00 0.00 N ATOM 123 CA ILE A 10 2.500 9.070 1.394 1.00 0.00 C ATOM 124 C ILE A 10 2.608 7.860 2.313 1.00 0.00 C ATOM 125 O ILE A 10 2.208 7.897 3.459 1.00 0.00 O ATOM 126 CB ILE A 10 3.885 9.707 1.305 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.853 10.923 0.390 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.863 8.685 0.747 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.829 12.180 1.248 1.00 0.00 C ATOM 0 H ILE A 10 1.546 10.183 2.951 1.00 0.00 H new ATOM 0 HA ILE A 10 2.159 8.772 0.402 1.00 0.00 H new ATOM 0 HB ILE A 10 4.197 10.025 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.726 10.928 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.974 10.888 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.856 9.130 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.899 7.818 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.537 8.373 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.806 13.059 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.942 12.171 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.722 12.211 1.873 1.00 0.00 H new ATOM 141 N CYS A 11 3.176 6.793 1.825 1.00 0.00 N ATOM 142 CA CYS A 11 3.342 5.588 2.685 1.00 0.00 C ATOM 143 C CYS A 11 4.654 4.890 2.345 1.00 0.00 C ATOM 144 O CYS A 11 5.238 5.102 1.300 1.00 0.00 O ATOM 145 CB CYS A 11 2.196 4.601 2.466 1.00 0.00 C ATOM 146 SG CYS A 11 0.682 5.492 2.043 1.00 0.00 S ATOM 0 H CYS A 11 3.531 6.703 0.873 1.00 0.00 H new ATOM 0 HA CYS A 11 3.343 5.913 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.453 3.905 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.039 4.008 3.367 1.00 0.00 H new ATOM 151 N SER A 12 5.106 4.044 3.221 1.00 0.00 N ATOM 152 CA SER A 12 6.369 3.301 2.968 1.00 0.00 C ATOM 153 C SER A 12 6.028 1.832 2.723 1.00 0.00 C ATOM 154 O SER A 12 5.133 1.285 3.337 1.00 0.00 O ATOM 155 CB SER A 12 7.287 3.414 4.185 1.00 0.00 C ATOM 156 OG SER A 12 6.858 2.498 5.185 1.00 0.00 O ATOM 0 H SER A 12 4.652 3.832 4.110 1.00 0.00 H new ATOM 0 HA SER A 12 6.878 3.719 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.317 3.201 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.268 4.431 4.576 1.00 0.00 H new ATOM 0 HG SER A 12 7.446 2.567 5.966 1.00 0.00 H new ATOM 162 N LEU A 13 6.723 1.189 1.827 1.00 0.00 N ATOM 163 CA LEU A 13 6.420 -0.240 1.550 1.00 0.00 C ATOM 164 C LEU A 13 6.252 -0.976 2.877 1.00 0.00 C ATOM 165 O LEU A 13 5.419 -1.849 3.016 1.00 0.00 O ATOM 166 CB LEU A 13 7.543 -0.857 0.691 1.00 0.00 C ATOM 167 CG LEU A 13 8.363 -1.889 1.481 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.249 -2.682 0.519 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.243 -1.169 2.501 1.00 0.00 C ATOM 0 H LEU A 13 7.484 1.589 1.278 1.00 0.00 H new ATOM 0 HA LEU A 13 5.491 -0.329 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.109 -1.333 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.202 -0.067 0.332 1.00 0.00 H new ATOM 0 HG LEU A 13 7.686 -2.569 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.831 -3.414 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.624 -3.197 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.925 -2.001 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.824 -1.901 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.919 -0.489 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.615 -0.602 3.188 1.00 0.00 H new ATOM 181 N TYR A 14 7.018 -0.607 3.858 1.00 0.00 N ATOM 182 CA TYR A 14 6.879 -1.267 5.180 1.00 0.00 C ATOM 183 C TYR A 14 5.408 -1.193 5.572 1.00 0.00 C ATOM 184 O TYR A 14 4.823 -2.146 6.048 1.00 0.00 O ATOM 185 CB TYR A 14 7.730 -0.530 6.217 1.00 0.00 C ATOM 186 CG TYR A 14 8.354 -1.533 7.155 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.171 -2.550 6.644 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.118 -1.447 8.531 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.753 -3.482 7.513 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.699 -2.380 9.401 1.00 0.00 C ATOM 191 CZ TYR A 14 9.516 -3.398 8.892 1.00 0.00 C ATOM 192 OH TYR A 14 10.089 -4.317 9.748 1.00 0.00 O ATOM 0 H TYR A 14 7.732 0.120 3.803 1.00 0.00 H new ATOM 0 HA TYR A 14 7.214 -2.303 5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.506 0.052 5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.113 0.173 6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.352 -2.615 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.488 -0.662 8.923 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.384 -4.265 7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.517 -2.314 10.463 1.00 0.00 H new ATOM 0 HH TYR A 14 9.824 -4.115 10.670 1.00 0.00 H new ATOM 202 N GLN A 15 4.806 -0.063 5.341 1.00 0.00 N ATOM 203 CA GLN A 15 3.366 0.104 5.655 1.00 0.00 C ATOM 204 C GLN A 15 2.558 -0.642 4.603 1.00 0.00 C ATOM 205 O GLN A 15 1.445 -1.071 4.833 1.00 0.00 O ATOM 206 CB GLN A 15 3.020 1.591 5.602 1.00 0.00 C ATOM 207 CG GLN A 15 3.609 2.302 6.822 1.00 0.00 C ATOM 208 CD GLN A 15 3.089 3.739 6.875 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.377 4.534 6.002 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.329 4.109 7.870 1.00 0.00 N ATOM 0 H GLN A 15 5.257 0.761 4.943 1.00 0.00 H new ATOM 0 HA GLN A 15 3.140 -0.288 6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.413 2.033 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.938 1.722 5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.335 1.771 7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.698 2.300 6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.087 3.442 8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.977 5.065 7.915 1.00 0.00 H new ATOM 219 N LEU A 16 3.128 -0.799 3.445 1.00 0.00 N ATOM 220 CA LEU A 16 2.439 -1.515 2.352 1.00 0.00 C ATOM 221 C LEU A 16 2.512 -3.012 2.627 1.00 0.00 C ATOM 222 O LEU A 16 1.629 -3.765 2.266 1.00 0.00 O ATOM 223 CB LEU A 16 3.132 -1.178 1.029 1.00 0.00 C ATOM 224 CG LEU A 16 3.074 0.341 0.759 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.849 0.575 -0.731 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.921 0.995 1.535 1.00 0.00 C ATOM 0 H LEU A 16 4.059 -0.454 3.210 1.00 0.00 H new ATOM 0 HA LEU A 16 1.393 -1.215 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.170 -1.508 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.651 -1.717 0.212 1.00 0.00 H new ATOM 0 HG LEU A 16 4.016 0.784 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.807 1.646 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.669 0.133 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.909 0.113 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.903 2.065 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.976 0.549 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.065 0.836 2.604 1.00 0.00 H new ATOM 238 N GLU A 17 3.549 -3.446 3.287 1.00 0.00 N ATOM 239 CA GLU A 17 3.664 -4.890 3.610 1.00 0.00 C ATOM 240 C GLU A 17 2.592 -5.232 4.641 1.00 0.00 C ATOM 241 O GLU A 17 2.225 -6.376 4.820 1.00 0.00 O ATOM 242 CB GLU A 17 5.051 -5.182 4.187 1.00 0.00 C ATOM 243 CG GLU A 17 6.071 -5.258 3.049 1.00 0.00 C ATOM 244 CD GLU A 17 7.041 -6.412 3.307 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.769 -6.340 4.284 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.040 -7.348 2.525 1.00 0.00 O ATOM 0 H GLU A 17 4.319 -2.863 3.615 1.00 0.00 H new ATOM 0 HA GLU A 17 3.528 -5.491 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.335 -4.401 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.036 -6.121 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.560 -5.405 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.619 -4.319 2.975 1.00 0.00 H new ATOM 253 N ASN A 18 2.081 -4.237 5.313 1.00 0.00 N ATOM 254 CA ASN A 18 1.020 -4.490 6.327 1.00 0.00 C ATOM 255 C ASN A 18 -0.300 -4.778 5.607 1.00 0.00 C ATOM 256 O ASN A 18 -1.259 -5.232 6.199 1.00 0.00 O ATOM 257 CB ASN A 18 0.860 -3.257 7.219 1.00 0.00 C ATOM 258 CG ASN A 18 0.561 -3.700 8.653 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.527 -4.879 8.943 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.340 -2.797 9.569 1.00 0.00 N ATOM 0 H ASN A 18 2.353 -3.260 5.203 1.00 0.00 H new ATOM 0 HA ASN A 18 1.296 -5.345 6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.770 -2.657 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.052 -2.627 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.139 -3.082 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.368 -1.807 9.326 1.00 0.00 H new ATOM 267 N TYR A 19 -0.353 -4.515 4.328 1.00 0.00 N ATOM 268 CA TYR A 19 -1.606 -4.770 3.561 1.00 0.00 C ATOM 269 C TYR A 19 -1.506 -6.130 2.864 1.00 0.00 C ATOM 270 O TYR A 19 -2.329 -6.480 2.042 1.00 0.00 O ATOM 271 CB TYR A 19 -1.786 -3.673 2.508 1.00 0.00 C ATOM 272 CG TYR A 19 -1.980 -2.341 3.192 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.868 -1.595 3.605 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.274 -1.852 3.419 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.051 -0.361 4.246 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.456 -0.618 4.058 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.344 0.127 4.473 1.00 0.00 C ATOM 278 OH TYR A 19 -2.524 1.340 5.103 1.00 0.00 O ATOM 0 H TYR A 19 0.419 -4.134 3.781 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.458 -4.769 4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.914 -3.635 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.646 -3.898 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.130 -1.970 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.131 -2.427 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.194 0.214 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.453 -0.241 4.231 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.764 1.927 4.906 1.00 0.00 H new ATOM 288 N CYS A 20 -0.499 -6.898 3.182 1.00 0.00 N ATOM 289 CA CYS A 20 -0.338 -8.230 2.533 1.00 0.00 C ATOM 290 C CYS A 20 -1.424 -9.186 3.028 1.00 0.00 C ATOM 291 O CYS A 20 -2.043 -8.965 4.050 1.00 0.00 O ATOM 292 CB CYS A 20 1.037 -8.800 2.882 1.00 0.00 C ATOM 293 SG CYS A 20 2.314 -7.654 2.314 1.00 0.00 S ATOM 0 H CYS A 20 0.220 -6.659 3.865 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.427 -8.116 1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.119 -8.951 3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.170 -9.774 2.412 1.00 0.00 H new ATOM 298 N ASN A 21 -1.658 -10.250 2.307 1.00 0.00 N ATOM 299 CA ASN A 21 -2.701 -11.224 2.732 1.00 0.00 C ATOM 300 C ASN A 21 -2.082 -12.253 3.681 1.00 0.00 C ATOM 301 O ASN A 21 -1.252 -11.864 4.486 1.00 0.00 O ATOM 302 CB ASN A 21 -3.264 -11.938 1.502 1.00 0.00 C ATOM 303 CG ASN A 21 -4.727 -11.542 1.307 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.269 -10.774 2.077 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.395 -12.035 0.299 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.448 -13.413 3.585 1.00 0.00 O ATOM 0 H ASN A 21 -1.171 -10.485 1.442 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.505 -10.695 3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.684 -11.674 0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.182 -13.018 1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.371 -11.775 0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.940 -12.680 -0.348 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.649 1.278 0.685 1.00 0.00 N ATOM 315 CA PHE B 1 12.501 1.973 0.037 1.00 0.00 C ATOM 316 C PHE B 1 12.346 3.370 0.632 1.00 0.00 C ATOM 317 O PHE B 1 13.178 3.832 1.389 1.00 0.00 O ATOM 318 CB PHE B 1 11.215 1.183 0.285 1.00 0.00 C ATOM 319 CG PHE B 1 10.707 0.607 -1.015 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.895 1.382 -1.856 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.041 -0.704 -1.381 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.419 0.846 -3.059 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.567 -1.240 -2.584 1.00 0.00 C ATOM 324 CZ PHE B 1 9.754 -0.466 -3.425 1.00 0.00 C ATOM 0 H1 PHE B 1 13.991 0.518 0.063 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.417 1.959 0.854 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.342 0.871 1.591 1.00 0.00 H new ATOM 0 HA PHE B 1 12.688 2.046 -1.034 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.402 0.381 0.999 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.458 1.832 0.726 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.637 2.393 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.665 -1.302 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.793 1.443 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.827 -2.250 -2.865 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.387 -0.879 -4.353 1.00 0.00 H new ATOM 336 N VAL B 2 11.285 4.046 0.297 1.00 0.00 N ATOM 337 CA VAL B 2 11.058 5.407 0.834 1.00 0.00 C ATOM 338 C VAL B 2 9.573 5.741 0.691 1.00 0.00 C ATOM 339 O VAL B 2 8.826 5.040 0.036 1.00 0.00 O ATOM 340 CB VAL B 2 11.917 6.407 0.044 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.061 5.932 -1.402 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.273 7.793 0.048 1.00 0.00 C ATOM 0 H VAL B 2 10.559 3.706 -0.334 1.00 0.00 H new ATOM 0 HA VAL B 2 11.339 5.461 1.886 1.00 0.00 H new ATOM 0 HB VAL B 2 12.896 6.467 0.518 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.671 6.643 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.540 4.953 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.075 5.861 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.897 8.486 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.286 7.737 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.176 8.146 1.075 1.00 0.00 H new ATOM 352 N ASN B 3 9.143 6.809 1.291 1.00 0.00 N ATOM 353 CA ASN B 3 7.705 7.193 1.177 1.00 0.00 C ATOM 354 C ASN B 3 7.407 7.517 -0.291 1.00 0.00 C ATOM 355 O ASN B 3 8.199 8.139 -0.970 1.00 0.00 O ATOM 356 CB ASN B 3 7.396 8.421 2.055 1.00 0.00 C ATOM 357 CG ASN B 3 8.438 8.558 3.168 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.261 8.035 4.250 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.526 9.245 2.947 1.00 0.00 N ATOM 0 H ASN B 3 9.719 7.434 1.855 1.00 0.00 H new ATOM 0 HA ASN B 3 7.081 6.368 1.519 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.389 9.322 1.442 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.401 8.324 2.490 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.226 9.342 3.682 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.676 9.685 2.039 1.00 0.00 H new ATOM 366 N GLN B 4 6.275 7.099 -0.792 1.00 0.00 N ATOM 367 CA GLN B 4 5.939 7.381 -2.216 1.00 0.00 C ATOM 368 C GLN B 4 4.441 7.663 -2.346 1.00 0.00 C ATOM 369 O GLN B 4 3.616 6.974 -1.777 1.00 0.00 O ATOM 370 CB GLN B 4 6.302 6.167 -3.076 1.00 0.00 C ATOM 371 CG GLN B 4 6.870 6.641 -4.415 1.00 0.00 C ATOM 372 CD GLN B 4 8.120 5.829 -4.756 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.169 6.385 -5.012 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.053 4.526 -4.771 1.00 0.00 N ATOM 0 H GLN B 4 5.569 6.574 -0.276 1.00 0.00 H new ATOM 0 HA GLN B 4 6.502 8.251 -2.553 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.033 5.547 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.420 5.549 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.123 6.525 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.116 7.702 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.172 4.058 -4.556 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.881 3.975 -4.998 1.00 0.00 H new ATOM 383 N HIS B 5 4.081 8.676 -3.086 1.00 0.00 N ATOM 384 CA HIS B 5 2.637 9.003 -3.250 1.00 0.00 C ATOM 385 C HIS B 5 1.994 7.991 -4.196 1.00 0.00 C ATOM 386 O HIS B 5 2.417 7.824 -5.323 1.00 0.00 O ATOM 387 CB HIS B 5 2.493 10.406 -3.836 1.00 0.00 C ATOM 388 CG HIS B 5 2.672 11.435 -2.755 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.596 11.932 -2.051 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.794 12.058 -2.281 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.086 12.832 -1.184 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.426 12.942 -1.289 1.00 0.00 N ATOM 0 H HIS B 5 4.725 9.291 -3.584 1.00 0.00 H new ATOM 0 HA HIS B 5 2.143 8.963 -2.279 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.233 10.559 -4.621 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.512 10.518 -4.297 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.618 11.667 -2.166 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.802 11.886 -2.627 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.483 13.397 -0.489 1.00 0.00 H new ATOM 400 N LEU B 6 0.981 7.307 -3.745 1.00 0.00 N ATOM 401 CA LEU B 6 0.311 6.292 -4.608 1.00 0.00 C ATOM 402 C LEU B 6 -1.205 6.500 -4.568 1.00 0.00 C ATOM 403 O LEU B 6 -1.700 7.330 -3.835 1.00 0.00 O ATOM 404 CB LEU B 6 0.655 4.905 -4.079 1.00 0.00 C ATOM 405 CG LEU B 6 1.745 4.268 -4.940 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.829 5.284 -5.280 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.375 3.112 -4.173 1.00 0.00 C ATOM 0 H LEU B 6 0.585 7.407 -2.810 1.00 0.00 H new ATOM 0 HA LEU B 6 0.652 6.393 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.993 4.975 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.235 4.276 -4.081 1.00 0.00 H new ATOM 0 HG LEU B 6 1.294 3.912 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.594 4.808 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.389 6.116 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.281 5.656 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.154 2.653 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.811 3.485 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.611 2.370 -3.941 1.00 0.00 H new ATOM 419 N CYS B 7 -1.957 5.760 -5.346 1.00 0.00 N ATOM 420 CA CYS B 7 -3.441 5.954 -5.321 1.00 0.00 C ATOM 421 C CYS B 7 -4.184 4.699 -5.789 1.00 0.00 C ATOM 422 O CYS B 7 -4.900 4.074 -5.033 1.00 0.00 O ATOM 423 CB CYS B 7 -3.817 7.127 -6.230 1.00 0.00 C ATOM 424 SG CYS B 7 -5.336 7.904 -5.623 1.00 0.00 S ATOM 0 H CYS B 7 -1.616 5.043 -5.986 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.734 6.159 -4.291 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.007 7.857 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.959 6.777 -7.252 1.00 0.00 H new ATOM 429 N GLY B 8 -4.053 4.347 -7.032 1.00 0.00 N ATOM 430 CA GLY B 8 -4.790 3.153 -7.546 1.00 0.00 C ATOM 431 C GLY B 8 -3.824 2.112 -8.122 1.00 0.00 C ATOM 432 O GLY B 8 -3.268 1.304 -7.403 1.00 0.00 O ATOM 0 H GLY B 8 -3.471 4.829 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.372 2.706 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.497 3.462 -8.316 1.00 0.00 H new ATOM 436 N SER B 9 -3.630 2.113 -9.416 1.00 0.00 N ATOM 437 CA SER B 9 -2.715 1.114 -10.035 1.00 0.00 C ATOM 438 C SER B 9 -1.420 1.082 -9.244 1.00 0.00 C ATOM 439 O SER B 9 -1.018 0.067 -8.713 1.00 0.00 O ATOM 440 CB SER B 9 -2.423 1.512 -11.483 1.00 0.00 C ATOM 441 OG SER B 9 -2.211 0.339 -12.257 1.00 0.00 O ATOM 0 H SER B 9 -4.067 2.764 -10.069 1.00 0.00 H new ATOM 0 HA SER B 9 -3.181 0.128 -10.024 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.256 2.085 -11.890 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.543 2.154 -11.526 1.00 0.00 H new ATOM 0 HG SER B 9 -2.025 0.589 -13.186 1.00 0.00 H new ATOM 447 N HIS B 10 -0.775 2.196 -9.153 1.00 0.00 N ATOM 448 CA HIS B 10 0.503 2.264 -8.390 1.00 0.00 C ATOM 449 C HIS B 10 0.285 1.923 -6.902 1.00 0.00 C ATOM 450 O HIS B 10 1.224 1.913 -6.133 1.00 0.00 O ATOM 451 CB HIS B 10 1.120 3.663 -8.507 1.00 0.00 C ATOM 452 CG HIS B 10 0.059 4.721 -8.637 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.245 4.759 -8.227 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.330 5.921 -9.261 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.786 5.976 -8.594 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.794 6.643 -9.216 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.074 3.075 -9.575 1.00 0.00 H new ATOM 0 HA HIS B 10 1.183 1.528 -8.819 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.733 3.866 -7.629 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.781 3.700 -9.373 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.270 6.220 -9.701 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.794 6.321 -8.419 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -0.889 7.582 -9.604 1.00 0.00 H new ATOM 464 N LEU B 11 -0.915 1.597 -6.487 1.00 0.00 N ATOM 465 CA LEU B 11 -1.126 1.225 -5.062 1.00 0.00 C ATOM 466 C LEU B 11 -1.161 -0.274 -5.012 1.00 0.00 C ATOM 467 O LEU B 11 -0.469 -0.917 -4.248 1.00 0.00 O ATOM 468 CB LEU B 11 -2.460 1.774 -4.546 1.00 0.00 C ATOM 469 CG LEU B 11 -2.219 3.019 -3.696 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.513 3.412 -2.997 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.159 2.718 -2.634 1.00 0.00 C ATOM 0 H LEU B 11 -1.750 1.574 -7.073 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.331 1.638 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.112 2.017 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.971 1.014 -3.955 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.879 3.831 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.343 4.301 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.280 3.623 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.844 2.594 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.988 3.608 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.504 1.905 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.228 2.427 -3.121 1.00 0.00 H new ATOM 483 N VAL B 12 -1.936 -0.832 -5.877 1.00 0.00 N ATOM 484 CA VAL B 12 -2.004 -2.292 -5.959 1.00 0.00 C ATOM 485 C VAL B 12 -0.652 -2.746 -6.473 1.00 0.00 C ATOM 486 O VAL B 12 -0.179 -3.828 -6.183 1.00 0.00 O ATOM 487 CB VAL B 12 -3.110 -2.683 -6.939 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.309 -1.752 -6.755 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.592 -2.563 -8.377 1.00 0.00 C ATOM 0 H VAL B 12 -2.531 -0.331 -6.537 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.228 -2.752 -4.997 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.413 -3.712 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.097 -2.031 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.682 -1.837 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.003 -0.723 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.383 -2.842 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.286 -1.535 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.738 -3.227 -8.513 1.00 0.00 H new ATOM 499 N GLU B 13 -0.019 -1.892 -7.229 1.00 0.00 N ATOM 500 CA GLU B 13 1.311 -2.225 -7.756 1.00 0.00 C ATOM 501 C GLU B 13 2.286 -2.139 -6.591 1.00 0.00 C ATOM 502 O GLU B 13 3.090 -3.022 -6.362 1.00 0.00 O ATOM 503 CB GLU B 13 1.713 -1.231 -8.846 1.00 0.00 C ATOM 504 CG GLU B 13 0.934 -1.534 -10.129 1.00 0.00 C ATOM 505 CD GLU B 13 1.867 -1.410 -11.335 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.058 -1.610 -11.160 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.375 -1.116 -12.411 1.00 0.00 O ATOM 0 H GLU B 13 -0.377 -0.976 -7.499 1.00 0.00 H new ATOM 0 HA GLU B 13 1.313 -3.222 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.509 -0.212 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.785 -1.296 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.514 -2.539 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.097 -0.843 -10.231 1.00 0.00 H new ATOM 514 N ALA B 14 2.188 -1.082 -5.829 1.00 0.00 N ATOM 515 CA ALA B 14 3.067 -0.927 -4.648 1.00 0.00 C ATOM 516 C ALA B 14 2.837 -2.114 -3.721 1.00 0.00 C ATOM 517 O ALA B 14 3.760 -2.798 -3.324 1.00 0.00 O ATOM 518 CB ALA B 14 2.681 0.355 -3.919 1.00 0.00 C ATOM 0 H ALA B 14 1.530 -0.317 -5.981 1.00 0.00 H new ATOM 0 HA ALA B 14 4.113 -0.882 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.320 0.483 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.806 1.206 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.640 0.293 -3.601 1.00 0.00 H new ATOM 524 N LEU B 15 1.602 -2.365 -3.377 1.00 0.00 N ATOM 525 CA LEU B 15 1.304 -3.512 -2.479 1.00 0.00 C ATOM 526 C LEU B 15 1.726 -4.797 -3.176 1.00 0.00 C ATOM 527 O LEU B 15 2.324 -5.675 -2.587 1.00 0.00 O ATOM 528 CB LEU B 15 -0.199 -3.568 -2.168 1.00 0.00 C ATOM 529 CG LEU B 15 -0.664 -2.348 -1.345 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.561 -2.836 -0.211 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.515 -1.595 -0.721 1.00 0.00 C ATOM 0 H LEU B 15 0.791 -1.826 -3.679 1.00 0.00 H new ATOM 0 HA LEU B 15 1.849 -3.393 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.761 -3.612 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.422 -4.483 -1.618 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.191 -1.673 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.897 -1.984 0.379 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.426 -3.353 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.002 -3.521 0.426 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.142 -0.744 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.064 -2.264 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.179 -1.241 -1.510 1.00 0.00 H new ATOM 543 N TYR B 16 1.430 -4.908 -4.435 1.00 0.00 N ATOM 544 CA TYR B 16 1.830 -6.132 -5.176 1.00 0.00 C ATOM 545 C TYR B 16 3.354 -6.233 -5.172 1.00 0.00 C ATOM 546 O TYR B 16 3.920 -7.292 -5.358 1.00 0.00 O ATOM 547 CB TYR B 16 1.330 -6.056 -6.622 1.00 0.00 C ATOM 548 CG TYR B 16 1.979 -7.152 -7.431 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.861 -8.486 -7.021 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.706 -6.835 -8.586 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.468 -9.504 -7.766 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.314 -7.854 -9.331 1.00 0.00 C ATOM 553 CZ TYR B 16 3.194 -9.189 -8.922 1.00 0.00 C ATOM 554 OH TYR B 16 3.794 -10.191 -9.658 1.00 0.00 O ATOM 0 H TYR B 16 0.930 -4.208 -4.983 1.00 0.00 H new ATOM 0 HA TYR B 16 1.394 -7.008 -4.696 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.245 -6.161 -6.650 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.567 -5.082 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.302 -8.729 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.798 -5.806 -8.902 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.377 -10.533 -7.449 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.875 -7.611 -10.221 1.00 0.00 H new ATOM 0 HH TYR B 16 4.256 -9.799 -10.429 1.00 0.00 H new ATOM 564 N LEU B 17 4.020 -5.134 -4.959 1.00 0.00 N ATOM 565 CA LEU B 17 5.507 -5.158 -4.938 1.00 0.00 C ATOM 566 C LEU B 17 5.980 -5.346 -3.500 1.00 0.00 C ATOM 567 O LEU B 17 6.982 -5.986 -3.243 1.00 0.00 O ATOM 568 CB LEU B 17 6.051 -3.841 -5.493 1.00 0.00 C ATOM 569 CG LEU B 17 7.258 -4.132 -6.383 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.581 -2.899 -7.229 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.463 -4.483 -5.510 1.00 0.00 C ATOM 0 H LEU B 17 3.598 -4.219 -4.798 1.00 0.00 H new ATOM 0 HA LEU B 17 5.871 -5.980 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.278 -3.326 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.338 -3.179 -4.676 1.00 0.00 H new ATOM 0 HG LEU B 17 7.029 -4.971 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.442 -3.108 -7.863 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.723 -2.651 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.809 -2.058 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.324 -4.691 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.691 -3.645 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.234 -5.364 -4.910 1.00 0.00 H new ATOM 583 N VAL B 18 5.262 -4.806 -2.557 1.00 0.00 N ATOM 584 CA VAL B 18 5.664 -4.967 -1.136 1.00 0.00 C ATOM 585 C VAL B 18 5.283 -6.373 -0.671 1.00 0.00 C ATOM 586 O VAL B 18 6.001 -7.014 0.069 1.00 0.00 O ATOM 587 CB VAL B 18 4.952 -3.919 -0.274 1.00 0.00 C ATOM 588 CG1 VAL B 18 4.937 -2.578 -1.007 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.510 -4.357 0.002 1.00 0.00 C ATOM 0 H VAL B 18 4.414 -4.260 -2.710 1.00 0.00 H new ATOM 0 HA VAL B 18 6.741 -4.828 -1.038 1.00 0.00 H new ATOM 0 HB VAL B 18 5.485 -3.818 0.671 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.430 -1.833 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.961 -2.256 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.409 -2.687 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.013 -3.606 0.615 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.976 -4.467 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.514 -5.311 0.529 1.00 0.00 H new ATOM 599 N CYS B 19 4.155 -6.850 -1.111 1.00 0.00 N ATOM 600 CA CYS B 19 3.711 -8.213 -0.708 1.00 0.00 C ATOM 601 C CYS B 19 4.205 -9.233 -1.735 1.00 0.00 C ATOM 602 O CYS B 19 4.198 -10.424 -1.496 1.00 0.00 O ATOM 603 CB CYS B 19 2.185 -8.245 -0.642 1.00 0.00 C ATOM 604 SG CYS B 19 1.620 -6.996 0.536 1.00 0.00 S ATOM 0 H CYS B 19 3.518 -6.354 -1.735 1.00 0.00 H new ATOM 0 HA CYS B 19 4.122 -8.461 0.271 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.762 -8.052 -1.628 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.842 -9.233 -0.336 1.00 0.00 H new ATOM 609 N GLY B 20 4.636 -8.775 -2.877 1.00 0.00 N ATOM 610 CA GLY B 20 5.135 -9.715 -3.919 1.00 0.00 C ATOM 611 C GLY B 20 4.030 -10.705 -4.294 1.00 0.00 C ATOM 612 O GLY B 20 2.928 -10.321 -4.632 1.00 0.00 O ATOM 0 H GLY B 20 4.664 -7.788 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.453 -9.159 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.008 -10.253 -3.549 1.00 0.00 H new ATOM 616 N GLU B 21 4.318 -11.978 -4.242 1.00 0.00 N ATOM 617 CA GLU B 21 3.286 -12.992 -4.601 1.00 0.00 C ATOM 618 C GLU B 21 2.209 -13.040 -3.516 1.00 0.00 C ATOM 619 O GLU B 21 1.042 -13.231 -3.796 1.00 0.00 O ATOM 620 CB GLU B 21 3.945 -14.367 -4.727 1.00 0.00 C ATOM 621 CG GLU B 21 5.135 -14.277 -5.686 1.00 0.00 C ATOM 622 CD GLU B 21 4.689 -13.616 -6.991 1.00 0.00 C ATOM 623 OE1 GLU B 21 3.612 -13.947 -7.462 1.00 0.00 O ATOM 624 OE2 GLU B 21 5.430 -12.791 -7.499 1.00 0.00 O ATOM 0 H GLU B 21 5.223 -12.359 -3.966 1.00 0.00 H new ATOM 0 HA GLU B 21 2.827 -12.718 -5.551 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.278 -14.713 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.223 -15.096 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.940 -13.700 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.530 -15.273 -5.887 1.00 0.00 H new ATOM 631 N ARG B 22 2.587 -12.869 -2.281 1.00 0.00 N ATOM 632 CA ARG B 22 1.579 -12.907 -1.184 1.00 0.00 C ATOM 633 C ARG B 22 0.380 -12.043 -1.571 1.00 0.00 C ATOM 634 O ARG B 22 -0.726 -12.248 -1.109 1.00 0.00 O ATOM 635 CB ARG B 22 2.205 -12.371 0.106 1.00 0.00 C ATOM 636 CG ARG B 22 2.619 -13.543 0.998 1.00 0.00 C ATOM 637 CD ARG B 22 3.785 -13.119 1.892 1.00 0.00 C ATOM 638 NE ARG B 22 4.386 -14.325 2.529 1.00 0.00 N ATOM 639 CZ ARG B 22 5.389 -14.195 3.354 1.00 0.00 C ATOM 640 NH1 ARG B 22 5.289 -13.396 4.382 1.00 0.00 N ATOM 641 NH2 ARG B 22 6.492 -14.863 3.151 1.00 0.00 N ATOM 0 H ARG B 22 3.549 -12.705 -1.983 1.00 0.00 H new ATOM 0 HA ARG B 22 1.251 -13.934 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.073 -11.754 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.493 -11.734 0.631 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.776 -13.863 1.610 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.909 -14.396 0.384 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.536 -12.593 1.303 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.437 -12.425 2.657 1.00 0.00 H new ATOM 0 HE ARG B 22 4.014 -15.251 2.320 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.427 -12.874 4.540 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.073 -13.294 5.027 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.570 -15.487 2.348 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.276 -14.761 3.796 1.00 0.00 H new ATOM 655 N GLY B 23 0.594 -11.080 -2.419 1.00 0.00 N ATOM 656 CA GLY B 23 -0.526 -10.194 -2.849 1.00 0.00 C ATOM 657 C GLY B 23 -1.046 -9.405 -1.646 1.00 0.00 C ATOM 658 O GLY B 23 -0.412 -9.343 -0.611 1.00 0.00 O ATOM 0 H GLY B 23 1.500 -10.865 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.184 -9.510 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.330 -10.790 -3.281 1.00 0.00 H new ATOM 662 N PHE B 24 -2.193 -8.797 -1.774 1.00 0.00 N ATOM 663 CA PHE B 24 -2.747 -8.007 -0.639 1.00 0.00 C ATOM 664 C PHE B 24 -4.257 -7.842 -0.816 1.00 0.00 C ATOM 665 O PHE B 24 -4.853 -8.407 -1.711 1.00 0.00 O ATOM 666 CB PHE B 24 -2.088 -6.626 -0.619 1.00 0.00 C ATOM 667 CG PHE B 24 -2.076 -6.060 -2.018 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.203 -6.585 -2.978 1.00 0.00 C ATOM 669 CD2 PHE B 24 -2.940 -5.011 -2.357 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.192 -6.064 -4.277 1.00 0.00 C ATOM 671 CE2 PHE B 24 -2.929 -4.488 -3.658 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.056 -5.014 -4.619 1.00 0.00 C ATOM 0 H PHE B 24 -2.770 -8.813 -2.615 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.547 -8.527 0.298 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.632 -5.960 0.051 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.070 -6.701 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.537 -7.394 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.614 -4.605 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.518 -6.471 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.594 -3.679 -3.919 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.048 -4.612 -5.621 1.00 0.00 H new ATOM 682 N PHE B 25 -4.880 -7.066 0.029 1.00 0.00 N ATOM 683 CA PHE B 25 -6.350 -6.859 -0.094 1.00 0.00 C ATOM 684 C PHE B 25 -6.615 -5.464 -0.657 1.00 0.00 C ATOM 685 O PHE B 25 -7.528 -5.253 -1.429 1.00 0.00 O ATOM 686 CB PHE B 25 -7.005 -6.991 1.282 1.00 0.00 C ATOM 687 CG PHE B 25 -8.495 -6.781 1.153 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.277 -7.718 0.464 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.097 -5.650 1.721 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.660 -7.523 0.344 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.479 -5.455 1.602 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.260 -6.392 0.912 1.00 0.00 C ATOM 0 H PHE B 25 -4.434 -6.567 0.799 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.770 -7.610 -0.763 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.801 -7.976 1.701 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.582 -6.259 1.970 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.814 -8.590 0.026 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.494 -4.928 2.251 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.263 -8.245 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.942 -4.584 2.041 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.325 -6.242 0.818 1.00 0.00 H new ATOM 702 N TYR B 26 -5.811 -4.514 -0.276 1.00 0.00 N ATOM 703 CA TYR B 26 -5.992 -3.124 -0.782 1.00 0.00 C ATOM 704 C TYR B 26 -7.409 -2.633 -0.468 1.00 0.00 C ATOM 705 O TYR B 26 -8.382 -3.131 -1.001 1.00 0.00 O ATOM 706 CB TYR B 26 -5.770 -3.103 -2.295 1.00 0.00 C ATOM 707 CG TYR B 26 -5.872 -1.686 -2.802 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.074 -0.680 -2.238 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.764 -1.376 -3.834 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.173 0.636 -2.709 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.863 -0.062 -4.304 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.068 0.945 -3.744 1.00 0.00 C ATOM 713 OH TYR B 26 -6.168 2.240 -4.208 1.00 0.00 O ATOM 0 H TYR B 26 -5.030 -4.640 0.368 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.271 -2.468 -0.295 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.790 -3.516 -2.535 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.510 -3.731 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.384 -0.919 -1.442 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.377 -2.152 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.560 1.412 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.553 0.176 -5.100 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.381 2.455 -4.751 1.00 0.00 H new ATOM 723 N THR B 27 -7.532 -1.656 0.389 1.00 0.00 N ATOM 724 CA THR B 27 -8.883 -1.130 0.731 1.00 0.00 C ATOM 725 C THR B 27 -9.172 0.112 -0.116 1.00 0.00 C ATOM 726 O THR B 27 -8.533 0.348 -1.123 1.00 0.00 O ATOM 727 CB THR B 27 -8.927 -0.756 2.216 1.00 0.00 C ATOM 728 OG1 THR B 27 -7.951 0.243 2.479 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.634 -1.994 3.065 1.00 0.00 C ATOM 0 H THR B 27 -6.755 -1.200 0.867 1.00 0.00 H new ATOM 0 HA THR B 27 -9.633 -1.894 0.528 1.00 0.00 H new ATOM 0 HB THR B 27 -9.917 -0.373 2.466 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.978 0.485 3.428 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.666 -1.727 4.121 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.383 -2.760 2.862 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.645 -2.379 2.818 1.00 0.00 H new ATOM 737 N LYS B 28 -10.126 0.910 0.285 1.00 0.00 N ATOM 738 CA LYS B 28 -10.450 2.137 -0.496 1.00 0.00 C ATOM 739 C LYS B 28 -11.815 2.688 -0.048 1.00 0.00 C ATOM 740 O LYS B 28 -11.924 3.851 0.284 1.00 0.00 O ATOM 741 CB LYS B 28 -10.451 1.803 -2.002 1.00 0.00 C ATOM 742 CG LYS B 28 -11.464 2.678 -2.753 1.00 0.00 C ATOM 743 CD LYS B 28 -11.233 2.549 -4.261 1.00 0.00 C ATOM 744 CE LYS B 28 -11.407 3.917 -4.924 1.00 0.00 C ATOM 745 NZ LYS B 28 -10.170 4.263 -5.679 1.00 0.00 N ATOM 0 H LYS B 28 -10.694 0.764 1.120 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.696 2.903 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.454 1.958 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.696 0.751 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.480 2.373 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.359 3.719 -2.446 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.232 2.164 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.937 1.834 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.264 3.901 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.609 4.676 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.287 5.193 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.362 4.295 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.996 3.543 -6.409 1.00 0.00 H new ATOM 759 N PRO B 29 -12.815 1.841 -0.051 1.00 0.00 N ATOM 760 CA PRO B 29 -14.177 2.228 0.353 1.00 0.00 C ATOM 761 C PRO B 29 -14.277 2.306 1.880 1.00 0.00 C ATOM 762 O PRO B 29 -14.061 1.334 2.575 1.00 0.00 O ATOM 763 CB PRO B 29 -15.052 1.099 -0.196 1.00 0.00 C ATOM 764 CG PRO B 29 -14.123 -0.122 -0.378 1.00 0.00 C ATOM 765 CD PRO B 29 -12.685 0.425 -0.455 1.00 0.00 C ATOM 0 HA PRO B 29 -14.474 3.207 -0.022 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.866 0.869 0.491 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.507 1.386 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.229 -0.817 0.455 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -14.378 -0.671 -1.285 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.015 -0.119 0.211 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.277 0.334 -1.462 1.00 0.00 H new ATOM 773 N THR B 30 -14.602 3.455 2.404 1.00 0.00 N ATOM 774 CA THR B 30 -14.714 3.594 3.883 1.00 0.00 C ATOM 775 C THR B 30 -15.614 4.785 4.218 1.00 0.00 C ATOM 776 O THR B 30 -15.772 5.643 3.364 1.00 0.00 O ATOM 777 CB THR B 30 -13.323 3.823 4.479 1.00 0.00 C ATOM 778 OG1 THR B 30 -12.433 4.239 3.453 1.00 0.00 O ATOM 779 CG2 THR B 30 -12.812 2.522 5.102 1.00 0.00 C ATOM 780 OXT THR B 30 -16.133 4.819 5.322 1.00 0.00 O ATOM 0 H THR B 30 -14.795 4.304 1.872 1.00 0.00 H new ATOM 0 HA THR B 30 -15.145 2.685 4.302 1.00 0.00 H new ATOM 0 HB THR B 30 -13.379 4.594 5.247 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.542 4.388 3.833 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.821 2.686 5.526 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.495 2.202 5.889 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.755 1.749 4.335 1.00 0.00 H new TER 788 THR B 30