USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 46 23F H2 : B 46 23F N : B 45 PHE C :(H bumps) USER MOD NoAdj-H: B 46 23F H : B 46 23F N : B 45 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= -0.0182 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.68 X(o=-0.7,f=-0.28) USER MOD Set 2.1: A 5 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5.7!) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 173:sc= -0.482 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 18 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.13) USER MOD Single : A 21 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4.4!) USER MOD Single : B 24 ASN : amide:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : B 25 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : B 26 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.5!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 30:sc= -0.167 USER MOD Single : B 48 THR OG1 : rot 180:sc= -0.394 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0.00234 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.713 21.193 -13.353 1.00 0.00 N ATOM 2 CA GLY A 1 0.439 20.064 -12.356 1.00 0.00 C ATOM 3 C GLY A 1 1.514 19.081 -12.044 1.00 0.00 C ATOM 4 O GLY A 1 2.337 18.763 -12.879 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.138 21.782 -13.453 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.501 21.778 -13.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.963 20.787 -14.277 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.136 20.525 -11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.419 19.503 -12.727 1.00 0.00 H new ATOM 10 N ILE A 2 1.540 18.575 -10.842 1.00 0.00 N ATOM 11 CA ILE A 2 2.595 17.590 -10.470 1.00 0.00 C ATOM 12 C ILE A 2 2.361 16.277 -11.226 1.00 0.00 C ATOM 13 O ILE A 2 3.282 15.547 -11.518 1.00 0.00 O ATOM 14 CB ILE A 2 2.549 17.347 -8.949 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.556 16.242 -8.560 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.125 16.951 -8.519 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.539 16.017 -7.055 1.00 0.00 C ATOM 0 H ILE A 2 0.876 18.801 -10.101 1.00 0.00 H new ATOM 0 HA ILE A 2 3.577 17.980 -10.739 1.00 0.00 H new ATOM 0 HB ILE A 2 2.824 18.268 -8.434 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.306 15.315 -9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.559 16.525 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.104 16.782 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.432 17.753 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.830 16.038 -9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.253 15.236 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.812 16.941 -6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.540 15.713 -6.744 1.00 0.00 H new ATOM 29 N VAL A 3 1.138 15.965 -11.535 1.00 0.00 N ATOM 30 CA VAL A 3 0.849 14.694 -12.251 1.00 0.00 C ATOM 31 C VAL A 3 1.580 14.652 -13.601 1.00 0.00 C ATOM 32 O VAL A 3 2.232 13.686 -13.928 1.00 0.00 O ATOM 33 CB VAL A 3 -0.662 14.592 -12.460 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.999 13.320 -13.234 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.348 14.545 -11.093 1.00 0.00 C ATOM 0 H VAL A 3 0.321 16.537 -11.322 1.00 0.00 H new ATOM 0 HA VAL A 3 1.202 13.850 -11.658 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.008 15.456 -13.027 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.078 13.257 -13.378 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.504 13.343 -14.205 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.656 12.451 -12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.427 14.472 -11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.993 13.677 -10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.113 15.452 -10.537 1.00 0.00 H new ATOM 45 N GLU A 4 1.468 15.674 -14.395 1.00 0.00 N ATOM 46 CA GLU A 4 2.150 15.657 -15.726 1.00 0.00 C ATOM 47 C GLU A 4 3.634 15.302 -15.579 1.00 0.00 C ATOM 48 O GLU A 4 4.105 14.324 -16.118 1.00 0.00 O ATOM 49 CB GLU A 4 2.036 17.045 -16.369 1.00 0.00 C ATOM 50 CG GLU A 4 2.941 17.134 -17.614 1.00 0.00 C ATOM 51 CD GLU A 4 2.414 18.211 -18.569 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.179 19.317 -18.111 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.255 17.909 -19.740 1.00 0.00 O ATOM 0 H GLU A 4 0.938 16.520 -14.187 1.00 0.00 H new ATOM 0 HA GLU A 4 1.668 14.904 -16.349 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.001 17.240 -16.649 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.321 17.812 -15.648 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.962 17.369 -17.315 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.972 16.170 -18.121 1.00 0.00 H new ATOM 60 N GLN A 5 4.382 16.111 -14.893 1.00 0.00 N ATOM 61 CA GLN A 5 5.841 15.840 -14.770 1.00 0.00 C ATOM 62 C GLN A 5 6.117 14.481 -14.110 1.00 0.00 C ATOM 63 O GLN A 5 7.033 13.782 -14.490 1.00 0.00 O ATOM 64 CB GLN A 5 6.498 16.941 -13.931 1.00 0.00 C ATOM 65 CG GLN A 5 6.412 18.290 -14.662 1.00 0.00 C ATOM 66 CD GLN A 5 5.033 18.910 -14.442 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.280 19.099 -15.376 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.674 19.236 -13.236 1.00 0.00 N ATOM 0 H GLN A 5 4.051 16.947 -14.412 1.00 0.00 H new ATOM 0 HA GLN A 5 6.259 15.822 -15.777 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.005 17.013 -12.962 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.541 16.689 -13.740 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.186 18.963 -14.295 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.592 18.149 -15.728 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.309 19.076 -12.454 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.757 19.652 -13.072 1.00 0.00 H new ATOM 77 N CYS A 6 5.374 14.125 -13.100 1.00 0.00 N ATOM 78 CA CYS A 6 5.631 12.832 -12.383 1.00 0.00 C ATOM 79 C CYS A 6 4.912 11.649 -13.048 1.00 0.00 C ATOM 80 O CYS A 6 5.475 10.586 -13.216 1.00 0.00 O ATOM 81 CB CYS A 6 5.142 12.992 -10.944 1.00 0.00 C ATOM 82 SG CYS A 6 5.521 14.667 -10.400 1.00 0.00 S ATOM 0 H CYS A 6 4.595 14.672 -12.734 1.00 0.00 H new ATOM 0 HA CYS A 6 6.698 12.614 -12.417 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.069 12.807 -10.885 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.627 12.263 -10.295 1.00 0.00 H new ATOM 87 N CYS A 7 3.663 11.802 -13.384 1.00 0.00 N ATOM 88 CA CYS A 7 2.914 10.663 -13.996 1.00 0.00 C ATOM 89 C CYS A 7 3.186 10.570 -15.503 1.00 0.00 C ATOM 90 O CYS A 7 3.565 9.529 -16.002 1.00 0.00 O ATOM 91 CB CYS A 7 1.419 10.862 -13.742 1.00 0.00 C ATOM 92 SG CYS A 7 0.516 9.377 -14.248 1.00 0.00 S ATOM 0 H CYS A 7 3.127 12.661 -13.263 1.00 0.00 H new ATOM 0 HA CYS A 7 3.249 9.731 -13.540 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.243 11.065 -12.686 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.057 11.727 -14.298 1.00 0.00 H new ATOM 97 N THR A 8 3.003 11.634 -16.236 1.00 0.00 N ATOM 98 CA THR A 8 3.263 11.566 -17.705 1.00 0.00 C ATOM 99 C THR A 8 4.771 11.456 -17.938 1.00 0.00 C ATOM 100 O THR A 8 5.226 10.889 -18.912 1.00 0.00 O ATOM 101 CB THR A 8 2.722 12.828 -18.385 1.00 0.00 C ATOM 102 OG1 THR A 8 1.441 13.136 -17.856 1.00 0.00 O ATOM 103 CG2 THR A 8 2.607 12.591 -19.888 1.00 0.00 C ATOM 0 H THR A 8 2.688 12.539 -15.888 1.00 0.00 H new ATOM 0 HA THR A 8 2.762 10.695 -18.128 1.00 0.00 H new ATOM 0 HB THR A 8 3.403 13.659 -18.201 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.143 14.002 -18.205 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.222 13.490 -20.370 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.590 12.354 -20.295 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.927 11.760 -20.074 1.00 0.00 H new ATOM 111 N SER A 9 5.544 11.991 -17.034 1.00 0.00 N ATOM 112 CA SER A 9 7.032 11.934 -17.151 1.00 0.00 C ATOM 113 C SER A 9 7.592 11.566 -15.781 1.00 0.00 C ATOM 114 O SER A 9 6.863 11.486 -14.819 1.00 0.00 O ATOM 115 CB SER A 9 7.565 13.303 -17.565 1.00 0.00 C ATOM 116 OG SER A 9 7.136 13.597 -18.888 1.00 0.00 O ATOM 0 H SER A 9 5.203 12.475 -16.203 1.00 0.00 H new ATOM 0 HA SER A 9 7.329 11.199 -17.899 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.207 14.068 -16.876 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.654 13.312 -17.514 1.00 0.00 H new ATOM 0 HG SER A 9 7.476 14.477 -19.154 1.00 0.00 H new ATOM 122 N ILE A 10 8.871 11.344 -15.665 1.00 0.00 N ATOM 123 CA ILE A 10 9.430 10.993 -14.324 1.00 0.00 C ATOM 124 C ILE A 10 9.765 12.284 -13.575 1.00 0.00 C ATOM 125 O ILE A 10 10.428 13.162 -14.091 1.00 0.00 O ATOM 126 CB ILE A 10 10.688 10.126 -14.480 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.341 8.896 -15.348 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.171 9.675 -13.088 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.378 7.779 -15.157 1.00 0.00 C ATOM 0 H ILE A 10 9.548 11.389 -16.427 1.00 0.00 H new ATOM 0 HA ILE A 10 8.693 10.422 -13.759 1.00 0.00 H new ATOM 0 HB ILE A 10 11.482 10.696 -14.962 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.350 8.527 -15.083 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.303 9.186 -16.398 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.064 9.059 -13.195 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.404 10.551 -12.482 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.387 9.096 -12.601 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.111 6.924 -15.779 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.364 8.144 -15.446 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.396 7.475 -14.111 1.00 0.00 H new ATOM 141 N CYS A 11 9.300 12.407 -12.360 1.00 0.00 N ATOM 142 CA CYS A 11 9.572 13.641 -11.564 1.00 0.00 C ATOM 143 C CYS A 11 10.841 13.459 -10.737 1.00 0.00 C ATOM 144 O CYS A 11 11.545 12.475 -10.839 1.00 0.00 O ATOM 145 CB CYS A 11 8.393 13.903 -10.608 1.00 0.00 C ATOM 146 SG CYS A 11 7.247 15.085 -11.346 1.00 0.00 S ATOM 0 H CYS A 11 8.740 11.702 -11.881 1.00 0.00 H new ATOM 0 HA CYS A 11 9.697 14.482 -12.247 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.875 12.969 -10.392 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.764 14.288 -9.658 1.00 0.00 H new ATOM 151 N SER A 12 11.103 14.416 -9.896 1.00 0.00 N ATOM 152 CA SER A 12 12.285 14.362 -9.006 1.00 0.00 C ATOM 153 C SER A 12 11.839 14.834 -7.621 1.00 0.00 C ATOM 154 O SER A 12 10.924 15.617 -7.483 1.00 0.00 O ATOM 155 CB SER A 12 13.388 15.282 -9.572 1.00 0.00 C ATOM 156 OG SER A 12 12.878 15.974 -10.704 1.00 0.00 O ATOM 0 H SER A 12 10.531 15.253 -9.788 1.00 0.00 H new ATOM 0 HA SER A 12 12.688 13.352 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.713 15.992 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.262 14.694 -9.853 1.00 0.00 H new ATOM 0 HG SER A 12 13.572 16.562 -11.068 1.00 0.00 H new ATOM 162 N LEU A 13 12.483 14.364 -6.603 1.00 0.00 N ATOM 163 CA LEU A 13 12.131 14.773 -5.217 1.00 0.00 C ATOM 164 C LEU A 13 11.877 16.273 -5.176 1.00 0.00 C ATOM 165 O LEU A 13 10.811 16.740 -4.840 1.00 0.00 O ATOM 166 CB LEU A 13 13.335 14.456 -4.334 1.00 0.00 C ATOM 167 CG LEU A 13 13.187 15.104 -2.956 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.800 14.801 -2.392 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.245 14.531 -2.025 1.00 0.00 C ATOM 0 H LEU A 13 13.255 13.700 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 13 11.237 14.250 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.436 13.376 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.246 14.814 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 13 13.312 16.183 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.697 15.264 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.039 15.200 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.672 13.722 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.148 14.987 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.110 13.453 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.236 14.742 -2.427 1.00 0.00 H new ATOM 181 N TYR A 14 12.876 17.010 -5.521 1.00 0.00 N ATOM 182 CA TYR A 14 12.777 18.498 -5.526 1.00 0.00 C ATOM 183 C TYR A 14 11.486 18.901 -6.217 1.00 0.00 C ATOM 184 O TYR A 14 10.740 19.730 -5.735 1.00 0.00 O ATOM 185 CB TYR A 14 13.983 19.063 -6.268 1.00 0.00 C ATOM 186 CG TYR A 14 15.180 18.206 -5.935 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.725 18.219 -4.646 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.728 17.388 -6.913 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.826 17.407 -4.346 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.824 16.578 -6.623 1.00 0.00 C ATOM 191 CZ TYR A 14 17.377 16.585 -5.337 1.00 0.00 C ATOM 192 OH TYR A 14 18.462 15.784 -5.046 1.00 0.00 O ATOM 0 H TYR A 14 13.784 16.645 -5.809 1.00 0.00 H new ATOM 0 HA TYR A 14 12.769 18.890 -4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.803 19.064 -7.343 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.161 20.097 -5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.297 18.854 -3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.302 17.379 -7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.249 17.415 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.246 15.945 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 14 18.718 15.277 -5.845 1.00 0.00 H new ATOM 202 N GLN A 15 11.201 18.292 -7.326 1.00 0.00 N ATOM 203 CA GLN A 15 9.934 18.617 -8.022 1.00 0.00 C ATOM 204 C GLN A 15 8.795 18.182 -7.114 1.00 0.00 C ATOM 205 O GLN A 15 7.758 18.802 -7.069 1.00 0.00 O ATOM 206 CB GLN A 15 9.856 17.886 -9.366 1.00 0.00 C ATOM 207 CG GLN A 15 10.819 18.533 -10.360 1.00 0.00 C ATOM 208 CD GLN A 15 10.524 18.006 -11.752 1.00 0.00 C ATOM 209 OE1 GLN A 15 11.403 17.525 -12.440 1.00 0.00 O ATOM 210 NE2 GLN A 15 9.311 18.079 -12.196 1.00 0.00 N ATOM 0 H GLN A 15 11.785 17.589 -7.778 1.00 0.00 H new ATOM 0 HA GLN A 15 9.874 19.686 -8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.107 16.834 -9.234 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.838 17.924 -9.753 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.710 19.617 -10.338 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.850 18.310 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.578 18.484 -11.613 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.088 17.732 -13.129 1.00 0.00 H new ATOM 219 N LEU A 16 8.990 17.138 -6.351 1.00 0.00 N ATOM 220 CA LEU A 16 7.902 16.709 -5.426 1.00 0.00 C ATOM 221 C LEU A 16 7.846 17.695 -4.268 1.00 0.00 C ATOM 222 O LEU A 16 6.797 17.997 -3.735 1.00 0.00 O ATOM 223 CB LEU A 16 8.176 15.292 -4.877 1.00 0.00 C ATOM 224 CG LEU A 16 7.273 14.257 -5.556 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.658 14.127 -7.022 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.437 12.904 -4.857 1.00 0.00 C ATOM 0 H LEU A 16 9.839 16.574 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 16 6.955 16.690 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.222 15.031 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.008 15.276 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 16 6.234 14.578 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.015 13.390 -7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.539 15.091 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.697 13.806 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.796 12.166 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.476 12.582 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.156 13.000 -3.808 1.00 0.00 H new ATOM 238 N GLU A 17 8.978 18.177 -3.868 1.00 0.00 N ATOM 239 CA GLU A 17 9.022 19.118 -2.741 1.00 0.00 C ATOM 240 C GLU A 17 8.289 20.400 -3.094 1.00 0.00 C ATOM 241 O GLU A 17 7.631 21.014 -2.277 1.00 0.00 O ATOM 242 CB GLU A 17 10.468 19.465 -2.447 1.00 0.00 C ATOM 243 CG GLU A 17 11.256 18.213 -2.017 1.00 0.00 C ATOM 244 CD GLU A 17 12.415 18.612 -1.098 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.986 19.667 -1.320 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.711 17.856 -0.187 1.00 0.00 O ATOM 0 H GLU A 17 9.883 17.954 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 17 8.548 18.654 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.928 19.903 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.513 20.217 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.595 17.517 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.640 17.695 -2.896 1.00 0.00 H new ATOM 253 N ASN A 18 8.429 20.808 -4.305 1.00 0.00 N ATOM 254 CA ASN A 18 7.783 22.064 -4.768 1.00 0.00 C ATOM 255 C ASN A 18 6.310 22.075 -4.364 1.00 0.00 C ATOM 256 O ASN A 18 5.736 23.100 -4.055 1.00 0.00 O ATOM 257 CB ASN A 18 7.881 22.109 -6.305 1.00 0.00 C ATOM 258 CG ASN A 18 9.037 23.013 -6.749 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.101 24.168 -6.374 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.959 22.530 -7.537 1.00 0.00 N ATOM 0 H ASN A 18 8.974 20.321 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 18 8.279 22.925 -4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.030 21.102 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.944 22.477 -6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.733 23.121 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.905 21.561 -7.851 1.00 0.00 H new ATOM 267 N TYR A 19 5.697 20.946 -4.433 1.00 0.00 N ATOM 268 CA TYR A 19 4.244 20.846 -4.133 1.00 0.00 C ATOM 269 C TYR A 19 3.962 20.626 -2.647 1.00 0.00 C ATOM 270 O TYR A 19 2.826 20.479 -2.262 1.00 0.00 O ATOM 271 CB TYR A 19 3.694 19.680 -4.940 1.00 0.00 C ATOM 272 CG TYR A 19 4.181 19.812 -6.367 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.802 20.913 -7.130 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.018 18.843 -6.915 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.258 21.052 -8.446 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.481 18.975 -8.234 1.00 0.00 C ATOM 277 CZ TYR A 19 5.101 20.082 -8.998 1.00 0.00 C ATOM 278 OH TYR A 19 5.554 20.216 -10.295 1.00 0.00 O ATOM 0 H TYR A 19 6.142 20.065 -4.689 1.00 0.00 H new ATOM 0 HA TYR A 19 3.763 21.787 -4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.025 18.734 -4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.604 19.679 -4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.153 21.664 -6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.312 17.988 -6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.959 21.907 -9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.130 18.222 -8.657 1.00 0.00 H new ATOM 0 HH TYR A 19 6.130 19.456 -10.521 1.00 0.00 H new ATOM 288 N CYS A 20 4.944 20.597 -1.793 1.00 0.00 N ATOM 289 CA CYS A 20 4.612 20.393 -0.357 1.00 0.00 C ATOM 290 C CYS A 20 4.023 21.670 0.225 1.00 0.00 C ATOM 291 O CYS A 20 4.652 22.370 0.993 1.00 0.00 O ATOM 292 CB CYS A 20 5.842 20.031 0.430 1.00 0.00 C ATOM 293 SG CYS A 20 6.602 18.568 -0.290 1.00 0.00 S ATOM 0 H CYS A 20 5.934 20.702 -2.016 1.00 0.00 H new ATOM 0 HA CYS A 20 3.889 19.580 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.548 20.861 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.579 19.843 1.471 1.00 0.00 H new ATOM 298 N ASN A 21 2.816 21.969 -0.128 1.00 0.00 N ATOM 299 CA ASN A 21 2.161 23.191 0.404 1.00 0.00 C ATOM 300 C ASN A 21 3.084 24.394 0.188 1.00 0.00 C ATOM 301 O ASN A 21 3.056 25.298 1.007 1.00 0.00 O ATOM 302 CB ASN A 21 1.891 22.995 1.896 1.00 0.00 C ATOM 303 CG ASN A 21 1.189 24.230 2.467 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.772 25.102 1.730 1.00 0.00 O ATOM 305 ND2 ASN A 21 1.038 24.341 3.759 1.00 0.00 N ATOM 306 OXT ASN A 21 3.806 24.390 -0.795 1.00 0.00 O ATOM 0 H ASN A 21 2.245 21.417 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 21 1.219 23.371 -0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.272 22.111 2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.829 22.823 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.570 25.159 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.388 23.610 4.378 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.361 9.603 -4.026 1.00 0.00 N ATOM 315 CA PHE B 22 14.909 9.346 -4.244 1.00 0.00 C ATOM 316 C PHE B 22 14.746 8.232 -5.286 1.00 0.00 C ATOM 317 O PHE B 22 15.520 7.296 -5.328 1.00 0.00 O ATOM 318 CB PHE B 22 14.235 10.640 -4.737 1.00 0.00 C ATOM 319 CG PHE B 22 12.764 10.636 -4.372 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.385 10.740 -3.030 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.781 10.527 -5.368 1.00 0.00 C ATOM 322 CE1 PHE B 22 11.031 10.735 -2.680 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.424 10.523 -5.017 1.00 0.00 C ATOM 324 CZ PHE B 22 10.049 10.626 -3.672 1.00 0.00 C ATOM 0 HA PHE B 22 14.439 9.033 -3.312 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.725 11.506 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.349 10.729 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE B 22 13.140 10.824 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.070 10.446 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.742 10.815 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.668 10.440 -5.784 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.004 10.621 -3.400 1.00 0.00 H new ATOM 336 N VAL B 23 13.745 8.327 -6.126 1.00 0.00 N ATOM 337 CA VAL B 23 13.523 7.277 -7.170 1.00 0.00 C ATOM 338 C VAL B 23 13.174 7.939 -8.503 1.00 0.00 C ATOM 339 O VAL B 23 12.836 9.105 -8.564 1.00 0.00 O ATOM 340 CB VAL B 23 12.368 6.372 -6.743 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.151 7.235 -6.441 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.031 5.386 -7.870 1.00 0.00 C ATOM 0 H VAL B 23 13.068 9.090 -6.134 1.00 0.00 H new ATOM 0 HA VAL B 23 14.432 6.687 -7.284 1.00 0.00 H new ATOM 0 HB VAL B 23 12.655 5.809 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.321 6.599 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.389 7.932 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.870 7.794 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.207 4.745 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.742 5.940 -8.763 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.905 4.773 -8.090 1.00 0.00 H new ATOM 352 N ASN B 24 13.248 7.187 -9.570 1.00 0.00 N ATOM 353 CA ASN B 24 12.919 7.723 -10.925 1.00 0.00 C ATOM 354 C ASN B 24 11.812 6.855 -11.526 1.00 0.00 C ATOM 355 O ASN B 24 12.043 6.080 -12.433 1.00 0.00 O ATOM 356 CB ASN B 24 14.170 7.649 -11.808 1.00 0.00 C ATOM 357 CG ASN B 24 15.096 8.825 -11.487 1.00 0.00 C ATOM 358 OD1 ASN B 24 16.200 8.633 -11.016 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.692 10.042 -11.725 1.00 0.00 N ATOM 0 H ASN B 24 13.528 6.206 -9.559 1.00 0.00 H new ATOM 0 HA ASN B 24 12.587 8.759 -10.859 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.691 6.706 -11.640 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.887 7.673 -12.860 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.302 10.832 -11.516 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.766 10.204 -12.120 1.00 0.00 H new ATOM 366 N GLN B 25 10.615 6.966 -11.003 1.00 0.00 N ATOM 367 CA GLN B 25 9.471 6.140 -11.504 1.00 0.00 C ATOM 368 C GLN B 25 8.348 7.052 -12.009 1.00 0.00 C ATOM 369 O GLN B 25 8.349 8.248 -11.795 1.00 0.00 O ATOM 370 CB GLN B 25 8.942 5.288 -10.330 1.00 0.00 C ATOM 371 CG GLN B 25 9.645 3.925 -10.302 1.00 0.00 C ATOM 372 CD GLN B 25 9.053 3.068 -9.183 1.00 0.00 C ATOM 373 OE1 GLN B 25 9.513 1.972 -8.933 1.00 0.00 O ATOM 374 NE2 GLN B 25 8.044 3.524 -8.493 1.00 0.00 N ATOM 0 H GLN B 25 10.379 7.602 -10.241 1.00 0.00 H new ATOM 0 HA GLN B 25 9.804 5.503 -12.323 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.109 5.811 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.866 5.148 -10.430 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.525 3.422 -11.262 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.715 4.059 -10.144 1.00 0.00 H new ATOM 0 HE21 GLN B 25 7.657 4.444 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.642 2.960 -7.744 1.00 0.00 H new ATOM 383 N HIS B 26 7.371 6.469 -12.652 1.00 0.00 N ATOM 384 CA HIS B 26 6.211 7.257 -13.153 1.00 0.00 C ATOM 385 C HIS B 26 5.164 7.273 -12.042 1.00 0.00 C ATOM 386 O HIS B 26 4.355 6.374 -11.922 1.00 0.00 O ATOM 387 CB HIS B 26 5.636 6.579 -14.408 1.00 0.00 C ATOM 388 CG HIS B 26 6.395 7.030 -15.627 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.943 8.063 -16.438 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.577 6.605 -16.185 1.00 0.00 C ATOM 391 CE1 HIS B 26 6.838 8.224 -17.429 1.00 0.00 C ATOM 392 NE2 HIS B 26 7.849 7.361 -17.318 1.00 0.00 N ATOM 0 H HIS B 26 7.329 5.470 -12.853 1.00 0.00 H new ATOM 0 HA HIS B 26 6.508 8.272 -13.416 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.701 5.495 -14.309 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.580 6.827 -14.514 1.00 0.00 H new ATOM 0 HD1 HIS B 26 5.087 8.602 -16.306 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.197 5.808 -15.802 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.749 8.959 -18.215 1.00 0.00 H new ATOM 400 N LEU B 27 5.197 8.269 -11.206 1.00 0.00 N ATOM 401 CA LEU B 27 4.234 8.325 -10.073 1.00 0.00 C ATOM 402 C LEU B 27 2.900 8.913 -10.528 1.00 0.00 C ATOM 403 O LEU B 27 2.857 9.866 -11.275 1.00 0.00 O ATOM 404 CB LEU B 27 4.795 9.207 -8.958 1.00 0.00 C ATOM 405 CG LEU B 27 6.270 8.885 -8.682 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.876 9.996 -7.823 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.371 7.558 -7.927 1.00 0.00 C ATOM 0 H LEU B 27 5.851 9.050 -11.258 1.00 0.00 H new ATOM 0 HA LEU B 27 4.079 7.309 -9.710 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.695 10.256 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.212 9.062 -8.048 1.00 0.00 H new ATOM 0 HG LEU B 27 6.808 8.811 -9.627 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.924 9.772 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.802 10.946 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.334 10.063 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.419 7.330 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.834 7.635 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.933 6.762 -8.529 1.00 0.00 H new ATOM 419 N CYS B 28 1.805 8.366 -10.060 1.00 0.00 N ATOM 420 CA CYS B 28 0.472 8.911 -10.454 1.00 0.00 C ATOM 421 C CYS B 28 -0.480 8.872 -9.260 1.00 0.00 C ATOM 422 O CYS B 28 -0.724 7.836 -8.674 1.00 0.00 O ATOM 423 CB CYS B 28 -0.104 8.068 -11.593 1.00 0.00 C ATOM 424 SG CYS B 28 1.107 7.962 -12.933 1.00 0.00 S ATOM 0 H CYS B 28 1.778 7.569 -9.425 1.00 0.00 H new ATOM 0 HA CYS B 28 0.589 9.943 -10.784 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.352 7.070 -11.232 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.029 8.514 -11.958 1.00 0.00 H new ATOM 429 N GLY B 29 -1.031 10.005 -8.921 1.00 0.00 N ATOM 430 CA GLY B 29 -1.993 10.087 -7.786 1.00 0.00 C ATOM 431 C GLY B 29 -1.567 9.190 -6.620 1.00 0.00 C ATOM 432 O GLY B 29 -0.642 9.488 -5.904 1.00 0.00 O ATOM 0 H GLY B 29 -0.852 10.892 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.066 11.119 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.986 9.794 -8.128 1.00 0.00 H new ATOM 436 N SER B 30 -2.266 8.106 -6.413 1.00 0.00 N ATOM 437 CA SER B 30 -1.943 7.190 -5.275 1.00 0.00 C ATOM 438 C SER B 30 -0.429 7.061 -5.071 1.00 0.00 C ATOM 439 O SER B 30 0.088 7.372 -4.017 1.00 0.00 O ATOM 440 CB SER B 30 -2.536 5.809 -5.555 1.00 0.00 C ATOM 441 OG SER B 30 -3.953 5.880 -5.467 1.00 0.00 O ATOM 0 H SER B 30 -3.055 7.811 -6.988 1.00 0.00 H new ATOM 0 HA SER B 30 -2.373 7.611 -4.366 1.00 0.00 H new ATOM 0 HB2 SER B 30 -2.238 5.467 -6.546 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.151 5.083 -4.838 1.00 0.00 H new ATOM 0 HG SER B 30 -4.337 4.997 -5.648 1.00 0.00 H new ATOM 447 N ASP B 31 0.286 6.601 -6.057 1.00 0.00 N ATOM 448 CA ASP B 31 1.758 6.453 -5.893 1.00 0.00 C ATOM 449 C ASP B 31 2.397 7.832 -5.704 1.00 0.00 C ATOM 450 O ASP B 31 3.254 8.020 -4.866 1.00 0.00 O ATOM 451 CB ASP B 31 2.338 5.779 -7.140 1.00 0.00 C ATOM 452 CG ASP B 31 1.393 4.669 -7.604 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.661 4.155 -6.774 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.417 4.352 -8.782 1.00 0.00 O ATOM 0 H ASP B 31 -0.083 6.322 -6.966 1.00 0.00 H new ATOM 0 HA ASP B 31 1.969 5.840 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.472 6.513 -7.934 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.322 5.365 -6.919 1.00 0.00 H new ATOM 459 N LEU B 32 1.981 8.790 -6.482 1.00 0.00 N ATOM 460 CA LEU B 32 2.548 10.167 -6.378 1.00 0.00 C ATOM 461 C LEU B 32 2.149 10.782 -5.053 1.00 0.00 C ATOM 462 O LEU B 32 2.981 11.067 -4.221 1.00 0.00 O ATOM 463 CB LEU B 32 1.988 10.978 -7.545 1.00 0.00 C ATOM 464 CG LEU B 32 2.285 12.473 -7.395 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.809 12.704 -7.228 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.744 13.189 -8.653 1.00 0.00 C ATOM 0 H LEU B 32 1.262 8.678 -7.197 1.00 0.00 H new ATOM 0 HA LEU B 32 3.637 10.151 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.417 10.614 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.910 10.826 -7.609 1.00 0.00 H new ATOM 0 HG LEU B 32 1.800 12.875 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.006 13.771 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.161 12.180 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.333 12.323 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.941 14.258 -8.576 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.239 12.792 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.670 13.023 -8.733 1.00 0.00 H new ATOM 478 N VAL B 33 0.886 10.976 -4.846 1.00 0.00 N ATOM 479 CA VAL B 33 0.403 11.547 -3.563 1.00 0.00 C ATOM 480 C VAL B 33 1.207 10.935 -2.421 1.00 0.00 C ATOM 481 O VAL B 33 1.848 11.618 -1.649 1.00 0.00 O ATOM 482 CB VAL B 33 -1.066 11.164 -3.387 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.504 11.416 -1.935 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.912 11.986 -4.356 1.00 0.00 C ATOM 0 H VAL B 33 0.152 10.760 -5.521 1.00 0.00 H new ATOM 0 HA VAL B 33 0.517 12.631 -3.563 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.202 10.104 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.552 11.140 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.893 10.815 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.377 12.472 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -2.962 11.720 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.781 13.047 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.598 11.779 -5.379 1.00 0.00 H new ATOM 494 N GLU B 34 1.187 9.640 -2.339 1.00 0.00 N ATOM 495 CA GLU B 34 1.969 8.963 -1.273 1.00 0.00 C ATOM 496 C GLU B 34 3.411 9.452 -1.390 1.00 0.00 C ATOM 497 O GLU B 34 4.066 9.745 -0.409 1.00 0.00 O ATOM 498 CB GLU B 34 1.908 7.440 -1.464 1.00 0.00 C ATOM 499 CG GLU B 34 0.618 6.884 -0.838 1.00 0.00 C ATOM 500 CD GLU B 34 0.813 6.670 0.668 1.00 0.00 C ATOM 501 OE1 GLU B 34 1.334 7.565 1.314 1.00 0.00 O ATOM 502 OE2 GLU B 34 0.438 5.614 1.149 1.00 0.00 O ATOM 0 H GLU B 34 0.666 9.021 -2.960 1.00 0.00 H new ATOM 0 HA GLU B 34 1.564 9.194 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.941 7.197 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.777 6.972 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.207 7.575 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.350 5.942 -1.315 1.00 0.00 H new ATOM 509 N ALA B 35 3.893 9.580 -2.599 1.00 0.00 N ATOM 510 CA ALA B 35 5.271 10.095 -2.797 1.00 0.00 C ATOM 511 C ALA B 35 5.341 11.472 -2.152 1.00 0.00 C ATOM 512 O ALA B 35 6.330 11.835 -1.567 1.00 0.00 O ATOM 513 CB ALA B 35 5.597 10.196 -4.302 1.00 0.00 C ATOM 0 H ALA B 35 3.388 9.349 -3.455 1.00 0.00 H new ATOM 0 HA ALA B 35 5.998 9.420 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.611 10.575 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.518 9.209 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.892 10.875 -4.782 1.00 0.00 H new ATOM 519 N LEU B 36 4.292 12.247 -2.229 1.00 0.00 N ATOM 520 CA LEU B 36 4.349 13.577 -1.588 1.00 0.00 C ATOM 521 C LEU B 36 4.228 13.400 -0.079 1.00 0.00 C ATOM 522 O LEU B 36 5.090 13.807 0.671 1.00 0.00 O ATOM 523 CB LEU B 36 3.222 14.442 -2.101 1.00 0.00 C ATOM 524 CG LEU B 36 3.512 14.856 -3.555 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.207 15.352 -4.202 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.614 15.957 -3.596 1.00 0.00 C ATOM 0 H LEU B 36 3.417 12.016 -2.700 1.00 0.00 H new ATOM 0 HA LEU B 36 5.295 14.063 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.279 13.898 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.115 15.327 -1.474 1.00 0.00 H new ATOM 0 HG LEU B 36 3.883 13.999 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.402 15.648 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.467 14.552 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.827 16.208 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.808 16.239 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.276 16.831 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.530 15.572 -3.147 1.00 0.00 H new ATOM 538 N TYR B 37 3.174 12.768 0.372 1.00 0.00 N ATOM 539 CA TYR B 37 3.011 12.531 1.835 1.00 0.00 C ATOM 540 C TYR B 37 4.336 12.014 2.389 1.00 0.00 C ATOM 541 O TYR B 37 4.708 12.268 3.514 1.00 0.00 O ATOM 542 CB TYR B 37 1.927 11.482 2.056 1.00 0.00 C ATOM 543 CG TYR B 37 1.752 11.285 3.533 1.00 0.00 C ATOM 544 CD1 TYR B 37 2.618 10.440 4.232 1.00 0.00 C ATOM 545 CD2 TYR B 37 0.733 11.959 4.205 1.00 0.00 C ATOM 546 CE1 TYR B 37 2.463 10.265 5.610 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.574 11.788 5.583 1.00 0.00 C ATOM 548 CZ TYR B 37 1.439 10.941 6.288 1.00 0.00 C ATOM 549 OH TYR B 37 1.283 10.771 7.649 1.00 0.00 O ATOM 0 H TYR B 37 2.420 12.406 -0.212 1.00 0.00 H new ATOM 0 HA TYR B 37 2.727 13.455 2.339 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.990 11.804 1.603 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.206 10.543 1.579 1.00 0.00 H new ATOM 0 HD1 TYR B 37 3.407 9.922 3.707 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.067 12.613 3.661 1.00 0.00 H new ATOM 0 HE1 TYR B 37 3.130 9.611 6.151 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.216 12.309 6.104 1.00 0.00 H new ATOM 0 HH TYR B 37 0.528 11.312 7.962 1.00 0.00 H new ATOM 559 N LEU B 38 5.055 11.305 1.574 1.00 0.00 N ATOM 560 CA LEU B 38 6.369 10.772 1.982 1.00 0.00 C ATOM 561 C LEU B 38 7.369 11.928 1.974 1.00 0.00 C ATOM 562 O LEU B 38 8.112 12.140 2.912 1.00 0.00 O ATOM 563 CB LEU B 38 6.765 9.709 0.952 1.00 0.00 C ATOM 564 CG LEU B 38 8.140 9.096 1.289 1.00 0.00 C ATOM 565 CD1 LEU B 38 8.216 7.671 0.723 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.283 9.941 0.685 1.00 0.00 C ATOM 0 H LEU B 38 4.777 11.069 0.621 1.00 0.00 H new ATOM 0 HA LEU B 38 6.346 10.330 2.978 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.010 8.924 0.926 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.796 10.155 -0.042 1.00 0.00 H new ATOM 0 HG LEU B 38 8.253 9.078 2.373 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.187 7.237 0.960 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.428 7.061 1.165 1.00 0.00 H new ATOM 0 HD13 LEU B 38 8.087 7.702 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.242 9.488 0.936 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.173 9.980 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.242 10.952 1.090 1.00 0.00 H new ATOM 578 N VAL B 39 7.378 12.676 0.908 1.00 0.00 N ATOM 579 CA VAL B 39 8.305 13.838 0.784 1.00 0.00 C ATOM 580 C VAL B 39 7.832 14.983 1.692 1.00 0.00 C ATOM 581 O VAL B 39 8.539 15.436 2.571 1.00 0.00 O ATOM 582 CB VAL B 39 8.285 14.307 -0.683 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.904 15.693 -0.825 1.00 0.00 C ATOM 584 CG2 VAL B 39 9.057 13.315 -1.553 1.00 0.00 C ATOM 0 H VAL B 39 6.771 12.530 0.101 1.00 0.00 H new ATOM 0 HA VAL B 39 9.313 13.548 1.081 1.00 0.00 H new ATOM 0 HB VAL B 39 7.246 14.357 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.876 15.998 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.341 16.406 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.938 15.666 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.040 13.651 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.089 13.255 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.593 12.331 -1.483 1.00 0.00 H new ATOM 594 N CYS B 40 6.653 15.471 1.444 1.00 0.00 N ATOM 595 CA CYS B 40 6.108 16.616 2.227 1.00 0.00 C ATOM 596 C CYS B 40 5.801 16.225 3.676 1.00 0.00 C ATOM 597 O CYS B 40 6.161 16.922 4.602 1.00 0.00 O ATOM 598 CB CYS B 40 4.815 17.029 1.549 1.00 0.00 C ATOM 599 SG CYS B 40 5.134 17.193 -0.220 1.00 0.00 S ATOM 0 H CYS B 40 6.030 15.119 0.717 1.00 0.00 H new ATOM 0 HA CYS B 40 6.843 17.420 2.255 1.00 0.00 H new ATOM 0 HB2 CYS B 40 4.038 16.286 1.728 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.455 17.972 1.959 1.00 0.00 H new ATOM 604 N GLY B 41 5.137 15.128 3.883 1.00 0.00 N ATOM 605 CA GLY B 41 4.811 14.716 5.277 1.00 0.00 C ATOM 606 C GLY B 41 3.867 15.730 5.933 1.00 0.00 C ATOM 607 O GLY B 41 2.745 15.918 5.506 1.00 0.00 O ATOM 0 H GLY B 41 4.805 14.498 3.152 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.347 13.730 5.271 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.727 14.633 5.861 1.00 0.00 H new ATOM 611 N GLU B 42 4.307 16.359 6.988 1.00 0.00 N ATOM 612 CA GLU B 42 3.436 17.337 7.705 1.00 0.00 C ATOM 613 C GLU B 42 3.119 18.552 6.828 1.00 0.00 C ATOM 614 O GLU B 42 2.003 19.031 6.806 1.00 0.00 O ATOM 615 CB GLU B 42 4.149 17.802 8.978 1.00 0.00 C ATOM 616 CG GLU B 42 3.330 18.903 9.658 1.00 0.00 C ATOM 617 CD GLU B 42 3.821 19.093 11.095 1.00 0.00 C ATOM 618 OE1 GLU B 42 4.996 18.865 11.332 1.00 0.00 O ATOM 619 OE2 GLU B 42 3.014 19.460 11.932 1.00 0.00 O ATOM 0 H GLU B 42 5.238 16.238 7.388 1.00 0.00 H new ATOM 0 HA GLU B 42 2.496 16.844 7.952 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.282 16.961 9.659 1.00 0.00 H new ATOM 0 HB3 GLU B 42 5.144 18.174 8.733 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.426 19.837 9.104 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.273 18.638 9.656 1.00 0.00 H new ATOM 626 N ARG B 43 4.083 19.074 6.125 1.00 0.00 N ATOM 627 CA ARG B 43 3.810 20.275 5.285 1.00 0.00 C ATOM 628 C ARG B 43 2.545 20.063 4.449 1.00 0.00 C ATOM 629 O ARG B 43 1.971 21.005 3.946 1.00 0.00 O ATOM 630 CB ARG B 43 4.992 20.548 4.344 1.00 0.00 C ATOM 631 CG ARG B 43 6.307 20.239 5.047 1.00 0.00 C ATOM 632 CD ARG B 43 7.490 20.752 4.198 1.00 0.00 C ATOM 633 NE ARG B 43 8.194 19.582 3.599 1.00 0.00 N ATOM 634 CZ ARG B 43 9.126 19.766 2.703 1.00 0.00 C ATOM 635 NH1 ARG B 43 9.463 20.976 2.352 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.720 18.738 2.160 1.00 0.00 N ATOM 0 H ARG B 43 5.041 18.726 6.094 1.00 0.00 H new ATOM 0 HA ARG B 43 3.669 21.128 5.948 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.899 19.938 3.446 1.00 0.00 H new ATOM 0 HB3 ARG B 43 4.978 21.590 4.024 1.00 0.00 H new ATOM 0 HG2 ARG B 43 6.323 20.709 6.030 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.401 19.165 5.206 1.00 0.00 H new ATOM 0 HD2 ARG B 43 7.131 21.418 3.414 1.00 0.00 H new ATOM 0 HD3 ARG B 43 8.177 21.329 4.817 1.00 0.00 H new ATOM 0 HE ARG B 43 7.947 18.636 3.890 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.999 21.778 2.777 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.191 21.120 1.652 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.456 17.792 2.436 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.448 18.881 1.460 1.00 0.00 H new ATOM 650 N GLY B 44 2.116 18.843 4.266 1.00 0.00 N ATOM 651 CA GLY B 44 0.905 18.625 3.423 1.00 0.00 C ATOM 652 C GLY B 44 1.315 18.852 1.970 1.00 0.00 C ATOM 653 O GLY B 44 2.470 19.086 1.689 1.00 0.00 O ATOM 0 H GLY B 44 2.542 18.002 4.655 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.519 17.615 3.560 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.109 19.312 3.709 1.00 0.00 H new ATOM 657 N PHE B 45 0.414 18.787 1.030 1.00 0.00 N ATOM 658 CA PHE B 45 0.856 18.999 -0.378 1.00 0.00 C ATOM 659 C PHE B 45 -0.349 19.213 -1.320 1.00 0.00 C ATOM 660 O PHE B 45 -1.486 19.023 -0.921 1.00 0.00 O ATOM 661 CB PHE B 45 1.624 17.760 -0.818 1.00 0.00 C ATOM 662 CG PHE B 45 0.840 16.523 -0.465 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.112 16.023 -1.350 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.081 15.872 0.746 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.827 14.862 -1.025 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.368 14.716 1.076 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.583 14.210 0.191 1.00 0.00 C ATOM 0 H PHE B 45 -0.580 18.602 1.167 1.00 0.00 H new ATOM 0 HA PHE B 45 1.481 19.891 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.803 17.794 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.600 17.734 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.299 16.529 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.820 16.263 1.430 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.564 14.471 -1.710 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.553 14.216 2.015 1.00 0.00 H new ATOM 0 HZ PHE B 45 -1.132 13.315 0.443 1.00 0.00 H new HETATM 677 N 23F B 46 -0.117 19.620 -2.662 1.00 0.00 N HETATM 678 CA 23F B 46 -1.183 19.815 -3.571 1.00 0.00 C HETATM 679 C 23F B 46 -1.986 18.625 -4.020 1.00 0.00 C HETATM 680 CB 23F B 46 -1.501 21.082 -4.086 1.00 0.00 C HETATM 681 CG 23F B 46 -0.749 22.370 -3.824 1.00 0.00 C HETATM 682 CD1 23F B 46 0.492 22.486 -3.015 1.00 0.00 C HETATM 683 CD2 23F B 46 -1.261 23.585 -4.483 1.00 0.00 C HETATM 684 CE1 23F B 46 1.163 23.758 -2.902 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.585 24.821 -4.354 1.00 0.00 C HETATM 686 CZ 23F B 46 0.629 24.925 -3.570 1.00 0.00 C HETATM 687 O 23F B 46 -1.639 18.001 -5.005 1.00 0.00 O HETATM 0 HZ 23F B 46 1.141 25.884 -3.483 1.00 0.00 H new HETATM 0 HE2 23F B 46 -0.982 25.706 -4.851 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.075 23.840 -2.311 1.00 0.00 H new HETATM 0 HD2 23F B 46 -2.173 23.530 -5.078 1.00 0.00 H new HETATM 0 HD1 23F B 46 0.895 21.610 -2.507 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.373 21.144 -4.737 1.00 0.00 H new ATOM 695 N TYR B 47 -3.147 18.250 -3.333 1.00 0.00 N ATOM 696 CA TYR B 47 -3.978 17.080 -3.793 1.00 0.00 C ATOM 697 C TYR B 47 -5.214 16.990 -2.889 1.00 0.00 C ATOM 698 O TYR B 47 -5.123 17.116 -1.684 1.00 0.00 O ATOM 699 CB TYR B 47 -3.164 15.751 -3.724 1.00 0.00 C ATOM 700 CG TYR B 47 -3.070 15.100 -5.095 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.228 14.608 -5.708 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.828 14.977 -5.745 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.153 13.999 -6.965 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.757 14.364 -7.002 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.918 13.877 -7.612 1.00 0.00 C ATOM 706 OH TYR B 47 -2.845 13.273 -8.851 1.00 0.00 O ATOM 0 H TYR B 47 -3.501 18.724 -2.502 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.274 17.228 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.163 15.953 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.639 15.065 -3.023 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.182 14.699 -5.209 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.932 15.354 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.049 13.623 -7.437 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.804 14.267 -7.501 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.685 13.417 -9.335 1.00 0.00 H new ATOM 716 N THR B 48 -6.368 16.774 -3.460 1.00 0.00 N ATOM 717 CA THR B 48 -7.603 16.679 -2.631 1.00 0.00 C ATOM 718 C THR B 48 -8.665 15.873 -3.381 1.00 0.00 C ATOM 719 O THR B 48 -9.069 16.217 -4.474 1.00 0.00 O ATOM 720 CB THR B 48 -8.135 18.085 -2.342 1.00 0.00 C ATOM 721 OG1 THR B 48 -9.507 18.008 -1.984 1.00 0.00 O ATOM 722 CG2 THR B 48 -7.979 18.960 -3.585 1.00 0.00 C ATOM 0 H THR B 48 -6.509 16.659 -4.464 1.00 0.00 H new ATOM 0 HA THR B 48 -7.369 16.180 -1.691 1.00 0.00 H new ATOM 0 HB THR B 48 -7.569 18.523 -1.520 1.00 0.00 H new ATOM 0 HG1 THR B 48 -9.847 18.908 -1.797 1.00 0.00 H new ATOM 0 HG21 THR B 48 -8.359 19.960 -3.376 1.00 0.00 H new ATOM 0 HG22 THR B 48 -6.925 19.021 -3.857 1.00 0.00 H new ATOM 0 HG23 THR B 48 -8.542 18.524 -4.410 1.00 0.00 H new ATOM 730 N LYS B 49 -9.119 14.798 -2.796 1.00 0.00 N ATOM 731 CA LYS B 49 -10.156 13.954 -3.456 1.00 0.00 C ATOM 732 C LYS B 49 -11.588 14.412 -3.089 1.00 0.00 C ATOM 733 O LYS B 49 -12.474 14.279 -3.910 1.00 0.00 O ATOM 734 CB LYS B 49 -9.970 12.483 -3.049 1.00 0.00 C ATOM 735 CG LYS B 49 -8.542 12.025 -3.381 1.00 0.00 C ATOM 736 CD LYS B 49 -8.199 10.771 -2.569 1.00 0.00 C ATOM 737 CE LYS B 49 -9.212 9.666 -2.873 1.00 0.00 C ATOM 738 NZ LYS B 49 -8.716 8.374 -2.321 1.00 0.00 N ATOM 0 H LYS B 49 -8.813 14.466 -1.881 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.032 14.062 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.160 12.365 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.693 11.858 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -8.456 11.814 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -7.833 12.821 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -7.192 10.432 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -8.208 11.002 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.179 9.914 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.362 9.581 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.404 7.622 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -7.803 8.137 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.595 8.460 -1.292 1.00 0.00 H new ATOM 752 N PRO B 50 -11.813 14.922 -1.883 1.00 0.00 N ATOM 753 CA PRO B 50 -13.166 15.352 -1.488 1.00 0.00 C ATOM 754 C PRO B 50 -13.715 16.383 -2.484 1.00 0.00 C ATOM 755 O PRO B 50 -14.599 16.097 -3.266 1.00 0.00 O ATOM 756 CB PRO B 50 -12.994 15.952 -0.078 1.00 0.00 C ATOM 757 CG PRO B 50 -11.604 15.504 0.421 1.00 0.00 C ATOM 758 CD PRO B 50 -10.794 15.115 -0.828 1.00 0.00 C ATOM 0 HA PRO B 50 -13.883 14.531 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -13.064 17.039 -0.108 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -13.779 15.600 0.592 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -11.111 16.308 0.968 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -11.691 14.660 1.105 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -10.084 15.896 -1.100 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -10.218 14.205 -0.660 1.00 0.00 H new ATOM 766 N THR B 51 -13.195 17.577 -2.456 1.00 0.00 N ATOM 767 CA THR B 51 -13.682 18.627 -3.394 1.00 0.00 C ATOM 768 C THR B 51 -13.379 18.207 -4.834 1.00 0.00 C ATOM 769 O THR B 51 -12.283 17.728 -5.072 1.00 0.00 O ATOM 770 CB THR B 51 -12.974 19.950 -3.088 1.00 0.00 C ATOM 771 OG1 THR B 51 -12.964 20.166 -1.683 1.00 0.00 O ATOM 772 CG2 THR B 51 -13.714 21.099 -3.777 1.00 0.00 C ATOM 773 OXT THR B 51 -14.249 18.373 -5.673 1.00 0.00 O ATOM 0 H THR B 51 -12.452 17.873 -1.823 1.00 0.00 H new ATOM 0 HA THR B 51 -14.758 18.753 -3.272 1.00 0.00 H new ATOM 0 HB THR B 51 -11.949 19.908 -3.457 1.00 0.00 H new ATOM 0 HG1 THR B 51 -12.510 21.012 -1.485 1.00 0.00 H new ATOM 0 HG21 THR B 51 -13.209 22.040 -3.558 1.00 0.00 H new ATOM 0 HG22 THR B 51 -13.721 20.933 -4.854 1.00 0.00 H new ATOM 0 HG23 THR B 51 -14.739 21.144 -3.410 1.00 0.00 H new TER 781 THR B 51