USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 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 Set 1.1: A 5 GLN : amide:sc= -4.83! C(o=-8.6!,f=-12!) USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -3.74 F(o=-14!,f=-8.6) USER MOD Single : A 1 GLY N :NH3+ -156:sc= 0.45 (180deg=0.226) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00944 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -2.36 F(o=-4.3!,f=-2.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.982! C(o=-0.98!,f=-4.9!) USER MOD Single : B 24 ASN : amide:sc= -1.42! C(o=-1.4!,f=-6.3!) USER MOD Single : B 25 GLN : amide:sc= -2.73 K(o=-2.7,f=-4!) USER MOD Single : B 26 HIS : no HD1:sc= -8.65! C(o=-8.7!,f=-9.9!) 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 45 TYR OH : rot 180:sc= -0.744 USER MOD Single : B 47 TYR OH : rot 180:sc= -1.09 USER MOD Single : B 48 THR OG1 : rot 180:sc= -0.991 USER MOD Single : B 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0104) USER MOD Single : B 51 THR OG1 : rot 60:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.453 5.313 1.278 1.00 0.00 N ATOM 2 CA GLY A 1 -8.683 4.323 0.401 1.00 0.00 C ATOM 3 C GLY A 1 -7.219 4.506 0.186 1.00 0.00 C ATOM 4 O GLY A 1 -6.649 5.513 0.555 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.308 4.854 1.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.850 5.618 2.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.725 6.141 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.827 3.330 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.158 4.320 -0.580 1.00 0.00 H new ATOM 10 N ILE A 2 -6.573 3.541 -0.410 1.00 0.00 N ATOM 11 CA ILE A 2 -5.107 3.659 -0.650 1.00 0.00 C ATOM 12 C ILE A 2 -4.845 4.692 -1.749 1.00 0.00 C ATOM 13 O ILE A 2 -3.868 5.414 -1.719 1.00 0.00 O ATOM 14 CB ILE A 2 -4.556 2.290 -1.073 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.029 2.377 -1.220 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.178 1.864 -2.409 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.401 0.976 -1.370 1.00 0.00 C ATOM 0 H ILE A 2 -6.998 2.675 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.609 3.984 0.264 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.809 1.552 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.779 2.985 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.605 2.877 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.781 0.892 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.261 1.797 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.935 2.600 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.320 1.071 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.631 0.378 -0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.808 0.488 -2.256 1.00 0.00 H new ATOM 29 N VAL A 3 -5.711 4.761 -2.716 1.00 0.00 N ATOM 30 CA VAL A 3 -5.534 5.732 -3.825 1.00 0.00 C ATOM 31 C VAL A 3 -5.487 7.152 -3.277 1.00 0.00 C ATOM 32 O VAL A 3 -4.777 8.003 -3.772 1.00 0.00 O ATOM 33 CB VAL A 3 -6.731 5.615 -4.760 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.438 6.371 -6.045 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.989 4.145 -5.074 1.00 0.00 C ATOM 0 H VAL A 3 -6.545 4.178 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.603 5.517 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.614 6.040 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.292 6.290 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.255 7.421 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.557 5.945 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.845 4.061 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.110 3.716 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.197 3.606 -4.149 1.00 0.00 H new ATOM 45 N GLU A 4 -6.265 7.417 -2.278 1.00 0.00 N ATOM 46 CA GLU A 4 -6.306 8.792 -1.709 1.00 0.00 C ATOM 47 C GLU A 4 -5.028 9.096 -0.920 1.00 0.00 C ATOM 48 O GLU A 4 -4.677 10.238 -0.724 1.00 0.00 O ATOM 49 CB GLU A 4 -7.526 8.915 -0.793 1.00 0.00 C ATOM 50 CG GLU A 4 -8.704 8.153 -1.414 1.00 0.00 C ATOM 51 CD GLU A 4 -10.014 8.616 -0.772 1.00 0.00 C ATOM 52 OE1 GLU A 4 -10.501 9.666 -1.158 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.507 7.912 0.094 1.00 0.00 O ATOM 0 H GLU A 4 -6.880 6.741 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.378 9.511 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.297 8.512 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.788 9.964 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.734 8.325 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.574 7.081 -1.266 1.00 0.00 H new ATOM 60 N GLN A 5 -4.337 8.096 -0.449 1.00 0.00 N ATOM 61 CA GLN A 5 -3.091 8.356 0.338 1.00 0.00 C ATOM 62 C GLN A 5 -1.858 8.351 -0.573 1.00 0.00 C ATOM 63 O GLN A 5 -1.061 9.266 -0.559 1.00 0.00 O ATOM 64 CB GLN A 5 -2.933 7.266 1.399 1.00 0.00 C ATOM 65 CG GLN A 5 -1.808 7.647 2.363 1.00 0.00 C ATOM 66 CD GLN A 5 -1.808 6.684 3.550 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.992 6.800 4.443 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.696 5.732 3.596 1.00 0.00 N ATOM 0 H GLN A 5 -4.577 7.112 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.174 9.336 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.867 7.139 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.710 6.311 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.847 7.610 1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.944 8.671 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.380 5.636 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.707 5.083 4.382 1.00 0.00 H new ATOM 77 N CYS A 6 -1.674 7.307 -1.331 1.00 0.00 N ATOM 78 CA CYS A 6 -0.474 7.208 -2.204 1.00 0.00 C ATOM 79 C CYS A 6 -0.549 8.159 -3.405 1.00 0.00 C ATOM 80 O CYS A 6 0.466 8.602 -3.902 1.00 0.00 O ATOM 81 CB CYS A 6 -0.364 5.768 -2.694 1.00 0.00 C ATOM 82 SG CYS A 6 -0.861 4.654 -1.360 1.00 0.00 S ATOM 0 H CYS A 6 -2.310 6.511 -1.383 1.00 0.00 H new ATOM 0 HA CYS A 6 0.403 7.496 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.999 5.618 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.659 5.552 -3.003 1.00 0.00 H new ATOM 87 N CYS A 7 -1.720 8.469 -3.899 1.00 0.00 N ATOM 88 CA CYS A 7 -1.799 9.383 -5.085 1.00 0.00 C ATOM 89 C CYS A 7 -1.885 10.833 -4.618 1.00 0.00 C ATOM 90 O CYS A 7 -0.975 11.611 -4.826 1.00 0.00 O ATOM 91 CB CYS A 7 -3.028 9.033 -5.932 1.00 0.00 C ATOM 92 SG CYS A 7 -2.897 9.782 -7.586 1.00 0.00 S ATOM 0 H CYS A 7 -2.615 8.136 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.902 9.258 -5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.118 7.951 -6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.932 9.388 -5.436 1.00 0.00 H new ATOM 97 N THR A 8 -2.956 11.211 -3.980 1.00 0.00 N ATOM 98 CA THR A 8 -3.070 12.608 -3.500 1.00 0.00 C ATOM 99 C THR A 8 -1.815 12.951 -2.703 1.00 0.00 C ATOM 100 O THR A 8 -1.528 14.099 -2.425 1.00 0.00 O ATOM 101 CB THR A 8 -4.294 12.727 -2.601 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.404 12.093 -3.220 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.604 14.194 -2.372 1.00 0.00 C ATOM 0 H THR A 8 -3.755 10.611 -3.772 1.00 0.00 H new ATOM 0 HA THR A 8 -3.173 13.292 -4.343 1.00 0.00 H new ATOM 0 HB THR A 8 -4.095 12.243 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.190 12.169 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.479 14.285 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.751 14.676 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.805 14.677 -3.328 1.00 0.00 H new ATOM 111 N SER A 9 -1.066 11.949 -2.337 1.00 0.00 N ATOM 112 CA SER A 9 0.177 12.181 -1.560 1.00 0.00 C ATOM 113 C SER A 9 1.136 11.020 -1.798 1.00 0.00 C ATOM 114 O SER A 9 1.300 10.549 -2.903 1.00 0.00 O ATOM 115 CB SER A 9 -0.161 12.264 -0.069 1.00 0.00 C ATOM 116 OG SER A 9 0.858 12.991 0.605 1.00 0.00 O ATOM 0 H SER A 9 -1.266 10.971 -2.546 1.00 0.00 H new ATOM 0 HA SER A 9 0.641 13.115 -1.878 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.125 12.753 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.248 11.262 0.352 1.00 0.00 H new ATOM 0 HG SER A 9 0.643 13.047 1.559 1.00 0.00 H new ATOM 122 N ILE A 10 1.785 10.576 -0.758 1.00 0.00 N ATOM 123 CA ILE A 10 2.761 9.460 -0.871 1.00 0.00 C ATOM 124 C ILE A 10 2.452 8.417 0.207 1.00 0.00 C ATOM 125 O ILE A 10 1.938 8.740 1.260 1.00 0.00 O ATOM 126 CB ILE A 10 4.143 10.052 -0.641 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.433 11.078 -1.730 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.210 8.957 -0.693 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.673 11.890 -1.358 1.00 0.00 C ATOM 0 H ILE A 10 1.676 10.949 0.185 1.00 0.00 H new ATOM 0 HA ILE A 10 2.708 8.979 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 10 4.166 10.524 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.589 10.575 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.577 11.741 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.193 9.398 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.009 8.216 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.190 8.475 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.876 12.622 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.500 12.406 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.528 11.222 -1.255 1.00 0.00 H new ATOM 141 N CYS A 11 2.759 7.167 -0.048 1.00 0.00 N ATOM 142 CA CYS A 11 2.486 6.086 0.957 1.00 0.00 C ATOM 143 C CYS A 11 3.806 5.461 1.412 1.00 0.00 C ATOM 144 O CYS A 11 4.849 5.690 0.831 1.00 0.00 O ATOM 145 CB CYS A 11 1.620 4.999 0.309 1.00 0.00 C ATOM 146 SG CYS A 11 -0.110 5.524 0.298 1.00 0.00 S ATOM 0 H CYS A 11 3.190 6.846 -0.915 1.00 0.00 H new ATOM 0 HA CYS A 11 1.968 6.515 1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.959 4.810 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.723 4.063 0.858 1.00 0.00 H new ATOM 151 N SER A 12 3.754 4.654 2.443 1.00 0.00 N ATOM 152 CA SER A 12 4.982 3.973 2.957 1.00 0.00 C ATOM 153 C SER A 12 4.793 2.466 2.812 1.00 0.00 C ATOM 154 O SER A 12 3.697 1.956 2.939 1.00 0.00 O ATOM 155 CB SER A 12 5.186 4.323 4.430 1.00 0.00 C ATOM 156 OG SER A 12 5.527 5.698 4.544 1.00 0.00 O ATOM 0 H SER A 12 2.900 4.436 2.957 1.00 0.00 H new ATOM 0 HA SER A 12 5.855 4.299 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.277 4.114 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.975 3.704 4.857 1.00 0.00 H new ATOM 0 HG SER A 12 5.657 5.926 5.488 1.00 0.00 H new ATOM 162 N LEU A 13 5.848 1.753 2.533 1.00 0.00 N ATOM 163 CA LEU A 13 5.745 0.279 2.363 1.00 0.00 C ATOM 164 C LEU A 13 4.845 -0.319 3.451 1.00 0.00 C ATOM 165 O LEU A 13 4.139 -1.274 3.223 1.00 0.00 O ATOM 166 CB LEU A 13 7.165 -0.315 2.464 1.00 0.00 C ATOM 167 CG LEU A 13 7.340 -1.503 1.503 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.214 -1.038 0.035 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.723 -2.122 1.742 1.00 0.00 C ATOM 0 H LEU A 13 6.787 2.134 2.414 1.00 0.00 H new ATOM 0 HA LEU A 13 5.306 0.044 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.901 0.455 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.354 -0.640 3.487 1.00 0.00 H new ATOM 0 HG LEU A 13 6.561 -2.242 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.341 -1.893 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.230 -0.598 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.983 -0.295 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.865 -2.967 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.494 -1.375 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.795 -2.465 2.774 1.00 0.00 H new ATOM 181 N TYR A 14 4.858 0.230 4.629 1.00 0.00 N ATOM 182 CA TYR A 14 3.993 -0.343 5.698 1.00 0.00 C ATOM 183 C TYR A 14 2.524 -0.164 5.296 1.00 0.00 C ATOM 184 O TYR A 14 1.691 -1.007 5.563 1.00 0.00 O ATOM 185 CB TYR A 14 4.307 0.349 7.049 1.00 0.00 C ATOM 186 CG TYR A 14 3.158 1.226 7.506 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.268 2.612 7.437 1.00 0.00 C ATOM 188 CD2 TYR A 14 1.993 0.639 8.000 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.211 3.422 7.867 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.932 1.443 8.429 1.00 0.00 C ATOM 191 CZ TYR A 14 1.041 2.837 8.365 1.00 0.00 C ATOM 192 OH TYR A 14 -0.003 3.633 8.790 1.00 0.00 O ATOM 0 H TYR A 14 5.419 1.038 4.898 1.00 0.00 H new ATOM 0 HA TYR A 14 4.189 -1.408 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.512 -0.407 7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.209 0.953 6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.170 3.063 7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.910 -0.437 8.051 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.298 4.497 7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.029 0.989 8.809 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.739 3.067 9.105 1.00 0.00 H new ATOM 202 N GLN A 15 2.204 0.924 4.654 1.00 0.00 N ATOM 203 CA GLN A 15 0.800 1.146 4.239 1.00 0.00 C ATOM 204 C GLN A 15 0.522 0.277 3.020 1.00 0.00 C ATOM 205 O GLN A 15 -0.574 -0.192 2.815 1.00 0.00 O ATOM 206 CB GLN A 15 0.588 2.617 3.870 1.00 0.00 C ATOM 207 CG GLN A 15 1.105 3.515 4.991 1.00 0.00 C ATOM 208 CD GLN A 15 1.031 4.972 4.539 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.581 5.242 3.346 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 1.386 5.870 5.275 1.00 0.00 N flip ATOM 0 H GLN A 15 2.856 1.666 4.401 1.00 0.00 H new ATOM 0 HA GLN A 15 0.127 0.888 5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.108 2.846 2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.471 2.809 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.510 3.371 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.132 3.251 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.738 5.656 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.332 6.839 4.960 1.00 0.00 H new ATOM 219 N LEU A 16 1.520 0.068 2.206 1.00 0.00 N ATOM 220 CA LEU A 16 1.345 -0.765 0.993 1.00 0.00 C ATOM 221 C LEU A 16 1.258 -2.237 1.401 1.00 0.00 C ATOM 222 O LEU A 16 0.348 -2.946 1.020 1.00 0.00 O ATOM 223 CB LEU A 16 2.565 -0.533 0.083 1.00 0.00 C ATOM 224 CG LEU A 16 2.199 -0.674 -1.402 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.094 0.330 -1.790 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.457 -0.434 -2.264 1.00 0.00 C ATOM 0 H LEU A 16 2.459 0.445 2.335 1.00 0.00 H new ATOM 0 HA LEU A 16 0.430 -0.498 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.971 0.462 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.348 -1.248 0.335 1.00 0.00 H new ATOM 0 HG LEU A 16 1.821 -1.681 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.850 0.213 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.204 0.142 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.446 1.346 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.200 -0.534 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.840 0.569 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.220 -1.168 -2.006 1.00 0.00 H new ATOM 238 N GLU A 17 2.194 -2.697 2.182 1.00 0.00 N ATOM 239 CA GLU A 17 2.156 -4.120 2.620 1.00 0.00 C ATOM 240 C GLU A 17 0.861 -4.342 3.391 1.00 0.00 C ATOM 241 O GLU A 17 0.354 -5.441 3.500 1.00 0.00 O ATOM 242 CB GLU A 17 3.342 -4.406 3.549 1.00 0.00 C ATOM 243 CG GLU A 17 4.665 -4.115 2.825 1.00 0.00 C ATOM 244 CD GLU A 17 5.762 -3.800 3.847 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.902 -2.640 4.199 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.442 -4.725 4.261 1.00 0.00 O ATOM 0 H GLU A 17 2.981 -2.152 2.535 1.00 0.00 H new ATOM 0 HA GLU A 17 2.210 -4.780 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.267 -3.791 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.317 -5.447 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.955 -4.974 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.539 -3.274 2.143 1.00 0.00 H new ATOM 253 N ASN A 18 0.339 -3.285 3.938 1.00 0.00 N ATOM 254 CA ASN A 18 -0.918 -3.367 4.733 1.00 0.00 C ATOM 255 C ASN A 18 -2.083 -3.832 3.835 1.00 0.00 C ATOM 256 O ASN A 18 -2.960 -4.549 4.276 1.00 0.00 O ATOM 257 CB ASN A 18 -1.190 -1.964 5.324 1.00 0.00 C ATOM 258 CG ASN A 18 -0.925 -1.935 6.823 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.317 -0.908 7.335 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 -1.273 -2.856 7.534 1.00 0.00 N flip ATOM 0 H ASN A 18 0.736 -2.348 3.868 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.822 -4.094 5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.558 -1.229 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.224 -1.679 5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.750 -3.661 7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.088 -2.824 8.537 1.00 0.00 H new ATOM 267 N TYR A 19 -2.104 -3.443 2.582 1.00 0.00 N ATOM 268 CA TYR A 19 -3.220 -3.887 1.684 1.00 0.00 C ATOM 269 C TYR A 19 -2.893 -5.262 1.111 1.00 0.00 C ATOM 270 O TYR A 19 -3.678 -5.847 0.391 1.00 0.00 O ATOM 271 CB TYR A 19 -3.395 -2.886 0.542 1.00 0.00 C ATOM 272 CG TYR A 19 -3.813 -1.553 1.112 1.00 0.00 C ATOM 273 CD1 TYR A 19 -5.147 -1.326 1.475 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.863 -0.546 1.283 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.526 -0.089 2.012 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.238 0.692 1.818 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.571 0.920 2.184 1.00 0.00 C ATOM 278 OH TYR A 19 -4.942 2.140 2.712 1.00 0.00 O ATOM 0 H TYR A 19 -1.404 -2.843 2.145 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.145 -3.941 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.462 -2.782 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.146 -3.246 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.883 -2.105 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.835 -0.722 1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.554 0.086 2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.501 1.470 1.948 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.158 2.726 2.765 1.00 0.00 H new ATOM 288 N CYS A 20 -1.738 -5.787 1.428 1.00 0.00 N ATOM 289 CA CYS A 20 -1.346 -7.129 0.911 1.00 0.00 C ATOM 290 C CYS A 20 -1.539 -8.176 2.006 1.00 0.00 C ATOM 291 O CYS A 20 -1.352 -7.910 3.177 1.00 0.00 O ATOM 292 CB CYS A 20 0.118 -7.098 0.486 1.00 0.00 C ATOM 293 SG CYS A 20 0.702 -8.785 0.205 1.00 0.00 S ATOM 0 H CYS A 20 -1.045 -5.339 2.028 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.969 -7.386 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.231 -6.507 -0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.721 -6.617 1.256 1.00 0.00 H new ATOM 298 N ASN A 21 -1.914 -9.365 1.630 1.00 0.00 N ATOM 299 CA ASN A 21 -2.122 -10.436 2.633 1.00 0.00 C ATOM 300 C ASN A 21 -0.817 -10.689 3.391 1.00 0.00 C ATOM 301 O ASN A 21 -0.087 -11.582 2.992 1.00 0.00 O ATOM 302 CB ASN A 21 -2.550 -11.707 1.905 1.00 0.00 C ATOM 303 CG ASN A 21 -3.754 -11.405 1.012 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.141 -10.263 0.858 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.368 -12.388 0.413 1.00 0.00 N ATOM 306 OXT ASN A 21 -0.570 -9.986 4.357 1.00 0.00 O ATOM 0 H ASN A 21 -2.086 -9.640 0.663 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.892 -10.138 3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.725 -12.089 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.805 -12.483 2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.173 -12.198 -0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.043 -13.346 0.542 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.162 1.544 -0.076 1.00 0.00 N ATOM 315 CA PHE B 22 11.220 1.940 -1.161 1.00 0.00 C ATOM 316 C PHE B 22 11.202 3.469 -1.280 1.00 0.00 C ATOM 317 O PHE B 22 11.155 4.174 -0.291 1.00 0.00 O ATOM 318 CB PHE B 22 9.811 1.419 -0.822 1.00 0.00 C ATOM 319 CG PHE B 22 9.018 1.197 -2.092 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.246 2.233 -2.630 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.060 -0.047 -2.728 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.515 2.024 -3.805 1.00 0.00 C ATOM 323 CE2 PHE B 22 8.329 -0.258 -3.903 1.00 0.00 C ATOM 324 CZ PHE B 22 7.556 0.778 -4.442 1.00 0.00 C ATOM 0 HA PHE B 22 11.541 1.512 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE B 22 9.885 0.486 -0.263 1.00 0.00 H new ATOM 0 HB3 PHE B 22 9.295 2.135 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE B 22 8.214 3.194 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE B 22 9.657 -0.846 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE B 22 6.919 2.824 -4.220 1.00 0.00 H new ATOM 0 HE2 PHE B 22 8.361 -1.220 -4.394 1.00 0.00 H new ATOM 0 HZ PHE B 22 6.992 0.616 -5.349 1.00 0.00 H new ATOM 336 N VAL B 23 11.244 3.988 -2.477 1.00 0.00 N ATOM 337 CA VAL B 23 11.232 5.470 -2.639 1.00 0.00 C ATOM 338 C VAL B 23 9.883 6.026 -2.186 1.00 0.00 C ATOM 339 O VAL B 23 8.847 5.433 -2.406 1.00 0.00 O ATOM 340 CB VAL B 23 11.458 5.836 -4.105 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.408 5.139 -4.971 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.332 7.354 -4.271 1.00 0.00 C ATOM 0 H VAL B 23 11.286 3.454 -3.345 1.00 0.00 H new ATOM 0 HA VAL B 23 12.029 5.898 -2.031 1.00 0.00 H new ATOM 0 HB VAL B 23 12.453 5.516 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.568 5.399 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.494 4.059 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.412 5.461 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.493 7.620 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.336 7.672 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.078 7.851 -3.651 1.00 0.00 H new ATOM 352 N ASN B 24 9.892 7.167 -1.556 1.00 0.00 N ATOM 353 CA ASN B 24 8.624 7.780 -1.081 1.00 0.00 C ATOM 354 C ASN B 24 8.081 8.733 -2.153 1.00 0.00 C ATOM 355 O ASN B 24 8.184 9.938 -2.037 1.00 0.00 O ATOM 356 CB ASN B 24 8.916 8.559 0.194 1.00 0.00 C ATOM 357 CG ASN B 24 9.908 7.776 1.058 1.00 0.00 C ATOM 358 OD1 ASN B 24 10.970 7.405 0.599 1.00 0.00 O ATOM 359 ND2 ASN B 24 9.604 7.508 2.298 1.00 0.00 N ATOM 0 H ASN B 24 10.733 7.705 -1.349 1.00 0.00 H new ATOM 0 HA ASN B 24 7.882 7.006 -0.886 1.00 0.00 H new ATOM 0 HB2 ASN B 24 9.326 9.538 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN B 24 7.993 8.730 0.747 1.00 0.00 H new ATOM 0 HD21 ASN B 24 10.258 6.987 2.882 1.00 0.00 H new ATOM 0 HD22 ASN B 24 8.712 7.820 2.683 1.00 0.00 H new ATOM 366 N GLN B 25 7.515 8.197 -3.196 1.00 0.00 N ATOM 367 CA GLN B 25 6.967 9.039 -4.297 1.00 0.00 C ATOM 368 C GLN B 25 5.448 8.867 -4.403 1.00 0.00 C ATOM 369 O GLN B 25 4.889 7.886 -3.953 1.00 0.00 O ATOM 370 CB GLN B 25 7.601 8.587 -5.601 1.00 0.00 C ATOM 371 CG GLN B 25 7.251 7.123 -5.855 1.00 0.00 C ATOM 372 CD GLN B 25 8.206 6.544 -6.887 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.468 5.357 -6.900 1.00 0.00 O ATOM 374 NE2 GLN B 25 8.736 7.341 -7.762 1.00 0.00 N ATOM 0 H GLN B 25 7.406 7.192 -3.336 1.00 0.00 H new ATOM 0 HA GLN B 25 7.189 10.087 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN B 25 7.245 9.206 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN B 25 8.683 8.711 -5.554 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.316 6.556 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.223 7.040 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.513 8.336 -7.747 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.376 6.973 -8.466 1.00 0.00 H new ATOM 383 N HIS B 26 4.775 9.822 -5.002 1.00 0.00 N ATOM 384 CA HIS B 26 3.295 9.724 -5.148 1.00 0.00 C ATOM 385 C HIS B 26 2.945 8.752 -6.283 1.00 0.00 C ATOM 386 O HIS B 26 3.170 9.042 -7.442 1.00 0.00 O ATOM 387 CB HIS B 26 2.717 11.097 -5.515 1.00 0.00 C ATOM 388 CG HIS B 26 3.221 12.171 -4.587 1.00 0.00 C ATOM 389 ND1 HIS B 26 2.356 12.953 -3.831 1.00 0.00 N ATOM 390 CD2 HIS B 26 4.483 12.638 -4.313 1.00 0.00 C ATOM 391 CE1 HIS B 26 3.103 13.843 -3.150 1.00 0.00 C ATOM 392 NE2 HIS B 26 4.402 13.692 -3.410 1.00 0.00 N ATOM 0 H HIS B 26 5.192 10.665 -5.396 1.00 0.00 H new ATOM 0 HA HIS B 26 2.879 9.373 -4.204 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.987 11.345 -6.542 1.00 0.00 H new ATOM 0 HB3 HIS B 26 1.629 11.058 -5.472 1.00 0.00 H new ATOM 0 HD2 HIS B 26 5.397 12.247 -4.734 1.00 0.00 H new ATOM 0 HE1 HIS B 26 2.700 14.586 -2.478 1.00 0.00 H new ATOM 0 HE2 HIS B 26 5.175 14.236 -3.027 1.00 0.00 H new ATOM 401 N LEU B 27 2.390 7.608 -5.974 1.00 0.00 N ATOM 402 CA LEU B 27 2.023 6.639 -7.047 1.00 0.00 C ATOM 403 C LEU B 27 0.571 6.861 -7.475 1.00 0.00 C ATOM 404 O LEU B 27 -0.265 7.269 -6.696 1.00 0.00 O ATOM 405 CB LEU B 27 2.149 5.208 -6.524 1.00 0.00 C ATOM 406 CG LEU B 27 3.480 5.014 -5.786 1.00 0.00 C ATOM 407 CD1 LEU B 27 3.408 3.749 -4.933 1.00 0.00 C ATOM 408 CD2 LEU B 27 4.609 4.868 -6.805 1.00 0.00 C ATOM 0 H LEU B 27 2.176 7.304 -5.024 1.00 0.00 H new ATOM 0 HA LEU B 27 2.694 6.792 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.320 4.987 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.082 4.505 -7.354 1.00 0.00 H new ATOM 0 HG LEU B 27 3.670 5.877 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.353 3.610 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.600 3.845 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU B 27 3.219 2.888 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.555 4.730 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU B 27 4.416 4.004 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.662 5.766 -7.420 1.00 0.00 H new ATOM 420 N CYS B 28 0.270 6.562 -8.704 1.00 0.00 N ATOM 421 CA CYS B 28 -1.120 6.718 -9.211 1.00 0.00 C ATOM 422 C CYS B 28 -1.302 5.781 -10.404 1.00 0.00 C ATOM 423 O CYS B 28 -0.404 5.045 -10.763 1.00 0.00 O ATOM 424 CB CYS B 28 -1.355 8.162 -9.657 1.00 0.00 C ATOM 425 SG CYS B 28 -1.056 9.290 -8.274 1.00 0.00 S ATOM 0 H CYS B 28 0.938 6.211 -9.390 1.00 0.00 H new ATOM 0 HA CYS B 28 -1.833 6.475 -8.423 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.693 8.408 -10.488 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -2.377 8.279 -10.018 1.00 0.00 H new ATOM 430 N GLY B 29 -2.448 5.792 -11.026 1.00 0.00 N ATOM 431 CA GLY B 29 -2.656 4.889 -12.194 1.00 0.00 C ATOM 432 C GLY B 29 -2.241 3.468 -11.818 1.00 0.00 C ATOM 433 O GLY B 29 -2.429 3.030 -10.700 1.00 0.00 O ATOM 0 H GLY B 29 -3.243 6.381 -10.780 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -3.703 4.905 -12.498 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.071 5.237 -13.045 1.00 0.00 H new ATOM 437 N SER B 30 -1.678 2.745 -12.742 1.00 0.00 N ATOM 438 CA SER B 30 -1.253 1.350 -12.437 1.00 0.00 C ATOM 439 C SER B 30 0.048 1.367 -11.627 1.00 0.00 C ATOM 440 O SER B 30 0.386 0.404 -10.968 1.00 0.00 O ATOM 441 CB SER B 30 -1.039 0.579 -13.740 1.00 0.00 C ATOM 442 OG SER B 30 -2.071 0.917 -14.658 1.00 0.00 O ATOM 0 H SER B 30 -1.493 3.058 -13.695 1.00 0.00 H new ATOM 0 HA SER B 30 -2.031 0.860 -11.852 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.065 0.822 -14.164 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.045 -0.494 -13.547 1.00 0.00 H new ATOM 0 HG SER B 30 -1.937 0.426 -15.496 1.00 0.00 H new ATOM 448 N ASP B 31 0.780 2.454 -11.661 1.00 0.00 N ATOM 449 CA ASP B 31 2.054 2.520 -10.877 1.00 0.00 C ATOM 450 C ASP B 31 1.787 2.014 -9.462 1.00 0.00 C ATOM 451 O ASP B 31 2.410 1.087 -8.985 1.00 0.00 O ATOM 452 CB ASP B 31 2.547 3.969 -10.803 1.00 0.00 C ATOM 453 CG ASP B 31 2.620 4.559 -12.213 1.00 0.00 C ATOM 454 OD1 ASP B 31 3.541 4.209 -12.933 1.00 0.00 O ATOM 455 OD2 ASP B 31 1.755 5.350 -12.548 1.00 0.00 O ATOM 0 H ASP B 31 0.553 3.294 -12.194 1.00 0.00 H new ATOM 0 HA ASP B 31 2.812 1.906 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.873 4.562 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.529 4.006 -10.331 1.00 0.00 H new ATOM 460 N LEU B 32 0.844 2.617 -8.801 1.00 0.00 N ATOM 461 CA LEU B 32 0.492 2.189 -7.424 1.00 0.00 C ATOM 462 C LEU B 32 0.255 0.678 -7.417 1.00 0.00 C ATOM 463 O LEU B 32 0.872 -0.053 -6.668 1.00 0.00 O ATOM 464 CB LEU B 32 -0.784 2.927 -7.017 1.00 0.00 C ATOM 465 CG LEU B 32 -1.342 2.364 -5.713 1.00 0.00 C ATOM 466 CD1 LEU B 32 -0.253 2.354 -4.636 1.00 0.00 C ATOM 467 CD2 LEU B 32 -2.499 3.251 -5.264 1.00 0.00 C ATOM 0 H LEU B 32 0.295 3.398 -9.161 1.00 0.00 H new ATOM 0 HA LEU B 32 1.294 2.420 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.573 3.990 -6.899 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.530 2.836 -7.807 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.687 1.342 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.661 1.951 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.580 1.733 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU B 32 0.099 3.371 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.913 2.865 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.139 4.268 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.274 3.255 -6.031 1.00 0.00 H new ATOM 479 N VAL B 33 -0.628 0.203 -8.252 1.00 0.00 N ATOM 480 CA VAL B 33 -0.892 -1.262 -8.295 1.00 0.00 C ATOM 481 C VAL B 33 0.422 -1.999 -8.460 1.00 0.00 C ATOM 482 O VAL B 33 0.783 -2.843 -7.664 1.00 0.00 O ATOM 483 CB VAL B 33 -1.775 -1.596 -9.502 1.00 0.00 C ATOM 484 CG1 VAL B 33 -1.733 -3.111 -9.777 1.00 0.00 C ATOM 485 CG2 VAL B 33 -3.205 -1.162 -9.210 1.00 0.00 C ATOM 0 H VAL B 33 -1.176 0.764 -8.904 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.390 -1.559 -7.372 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.406 -1.068 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.363 -3.342 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.707 -3.414 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.099 -3.650 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.838 -1.397 -10.065 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.573 -1.690 -8.330 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.229 -0.088 -9.025 1.00 0.00 H new ATOM 495 N GLU B 34 1.116 -1.700 -9.524 1.00 0.00 N ATOM 496 CA GLU B 34 2.400 -2.382 -9.811 1.00 0.00 C ATOM 497 C GLU B 34 3.186 -2.532 -8.508 1.00 0.00 C ATOM 498 O GLU B 34 3.782 -3.555 -8.245 1.00 0.00 O ATOM 499 CB GLU B 34 3.187 -1.547 -10.844 1.00 0.00 C ATOM 500 CG GLU B 34 3.395 -2.342 -12.140 1.00 0.00 C ATOM 501 CD GLU B 34 4.004 -1.430 -13.206 1.00 0.00 C ATOM 502 OE1 GLU B 34 3.269 -0.634 -13.767 1.00 0.00 O ATOM 503 OE2 GLU B 34 5.196 -1.542 -13.444 1.00 0.00 O ATOM 0 H GLU B 34 0.840 -1.001 -10.214 1.00 0.00 H new ATOM 0 HA GLU B 34 2.227 -3.375 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.648 -0.625 -11.060 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.153 -1.261 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU B 34 4.051 -3.193 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU B 34 2.444 -2.743 -12.490 1.00 0.00 H new ATOM 510 N ALA B 35 3.159 -1.526 -7.681 1.00 0.00 N ATOM 511 CA ALA B 35 3.873 -1.625 -6.389 1.00 0.00 C ATOM 512 C ALA B 35 3.293 -2.807 -5.621 1.00 0.00 C ATOM 513 O ALA B 35 3.976 -3.757 -5.331 1.00 0.00 O ATOM 514 CB ALA B 35 3.679 -0.326 -5.601 1.00 0.00 C ATOM 0 H ALA B 35 2.674 -0.644 -7.847 1.00 0.00 H new ATOM 0 HA ALA B 35 4.941 -1.776 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.204 -0.396 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA B 35 4.078 0.511 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.616 -0.166 -5.418 1.00 0.00 H new ATOM 520 N LEU B 36 2.028 -2.783 -5.317 1.00 0.00 N ATOM 521 CA LEU B 36 1.435 -3.941 -4.600 1.00 0.00 C ATOM 522 C LEU B 36 1.791 -5.211 -5.362 1.00 0.00 C ATOM 523 O LEU B 36 2.206 -6.198 -4.789 1.00 0.00 O ATOM 524 CB LEU B 36 -0.085 -3.795 -4.547 1.00 0.00 C ATOM 525 CG LEU B 36 -0.467 -2.631 -3.616 1.00 0.00 C ATOM 526 CD1 LEU B 36 -1.857 -2.117 -3.980 1.00 0.00 C ATOM 527 CD2 LEU B 36 -0.495 -3.114 -2.164 1.00 0.00 C ATOM 0 H LEU B 36 1.385 -2.021 -5.531 1.00 0.00 H new ATOM 0 HA LEU B 36 1.823 -3.985 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.477 -3.615 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.536 -4.721 -4.190 1.00 0.00 H new ATOM 0 HG LEU B 36 0.270 -1.836 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -2.125 -1.293 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.857 -1.769 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.583 -2.922 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.766 -2.285 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.229 -3.913 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.490 -3.488 -1.886 1.00 0.00 H new ATOM 539 N TYR B 37 1.659 -5.183 -6.658 1.00 0.00 N ATOM 540 CA TYR B 37 2.022 -6.378 -7.453 1.00 0.00 C ATOM 541 C TYR B 37 3.482 -6.706 -7.140 1.00 0.00 C ATOM 542 O TYR B 37 3.922 -7.832 -7.239 1.00 0.00 O ATOM 543 CB TYR B 37 1.847 -6.064 -8.941 1.00 0.00 C ATOM 544 CG TYR B 37 1.914 -7.343 -9.739 1.00 0.00 C ATOM 545 CD1 TYR B 37 0.751 -8.087 -9.968 1.00 0.00 C ATOM 546 CD2 TYR B 37 3.141 -7.785 -10.249 1.00 0.00 C ATOM 547 CE1 TYR B 37 0.814 -9.274 -10.707 1.00 0.00 C ATOM 548 CE2 TYR B 37 3.204 -8.972 -10.988 1.00 0.00 C ATOM 549 CZ TYR B 37 2.041 -9.717 -11.217 1.00 0.00 C ATOM 550 OH TYR B 37 2.104 -10.888 -11.945 1.00 0.00 O ATOM 0 H TYR B 37 1.317 -4.386 -7.195 1.00 0.00 H new ATOM 0 HA TYR B 37 1.387 -7.229 -7.207 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.891 -5.569 -9.109 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.625 -5.376 -9.272 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.195 -7.745 -9.575 1.00 0.00 H new ATOM 0 HD2 TYR B 37 4.038 -7.210 -10.072 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.083 -9.848 -10.884 1.00 0.00 H new ATOM 0 HE2 TYR B 37 4.150 -9.313 -11.382 1.00 0.00 H new ATOM 0 HH TYR B 37 3.029 -11.050 -12.225 1.00 0.00 H new ATOM 560 N LEU B 38 4.224 -5.708 -6.739 1.00 0.00 N ATOM 561 CA LEU B 38 5.653 -5.899 -6.378 1.00 0.00 C ATOM 562 C LEU B 38 5.728 -6.346 -4.908 1.00 0.00 C ATOM 563 O LEU B 38 6.172 -7.432 -4.590 1.00 0.00 O ATOM 564 CB LEU B 38 6.355 -4.544 -6.559 1.00 0.00 C ATOM 565 CG LEU B 38 7.845 -4.718 -6.867 1.00 0.00 C ATOM 566 CD1 LEU B 38 8.046 -5.019 -8.354 1.00 0.00 C ATOM 567 CD2 LEU B 38 8.564 -3.411 -6.526 1.00 0.00 C ATOM 0 H LEU B 38 3.889 -4.749 -6.646 1.00 0.00 H new ATOM 0 HA LEU B 38 6.131 -6.654 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.878 -3.991 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.237 -3.949 -5.654 1.00 0.00 H new ATOM 0 HG LEU B 38 8.244 -5.545 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.109 -5.141 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.519 -5.937 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.653 -4.194 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.628 -3.515 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.151 -2.601 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.426 -3.185 -5.469 1.00 0.00 H new ATOM 579 N VAL B 39 5.284 -5.494 -4.022 1.00 0.00 N ATOM 580 CA VAL B 39 5.295 -5.805 -2.565 1.00 0.00 C ATOM 581 C VAL B 39 4.592 -7.136 -2.304 1.00 0.00 C ATOM 582 O VAL B 39 5.135 -8.031 -1.687 1.00 0.00 O ATOM 583 CB VAL B 39 4.537 -4.688 -1.829 1.00 0.00 C ATOM 584 CG1 VAL B 39 4.621 -4.875 -0.317 1.00 0.00 C ATOM 585 CG2 VAL B 39 5.145 -3.341 -2.188 1.00 0.00 C ATOM 0 H VAL B 39 4.906 -4.575 -4.254 1.00 0.00 H new ATOM 0 HA VAL B 39 6.324 -5.874 -2.213 1.00 0.00 H new ATOM 0 HB VAL B 39 3.491 -4.728 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.077 -4.072 0.180 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.181 -5.834 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.665 -4.853 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.608 -2.549 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL B 39 6.194 -3.325 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.070 -3.183 -3.264 1.00 0.00 H new ATOM 595 N CYS B 40 3.375 -7.254 -2.742 1.00 0.00 N ATOM 596 CA CYS B 40 2.604 -8.502 -2.496 1.00 0.00 C ATOM 597 C CYS B 40 3.094 -9.636 -3.407 1.00 0.00 C ATOM 598 O CYS B 40 3.043 -10.793 -3.046 1.00 0.00 O ATOM 599 CB CYS B 40 1.119 -8.207 -2.755 1.00 0.00 C ATOM 600 SG CYS B 40 0.078 -9.215 -1.669 1.00 0.00 S ATOM 0 H CYS B 40 2.875 -6.534 -3.264 1.00 0.00 H new ATOM 0 HA CYS B 40 2.748 -8.827 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.916 -7.150 -2.585 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.877 -8.414 -3.797 1.00 0.00 H new ATOM 605 N GLY B 41 3.572 -9.328 -4.576 1.00 0.00 N ATOM 606 CA GLY B 41 4.055 -10.414 -5.477 1.00 0.00 C ATOM 607 C GLY B 41 3.008 -11.533 -5.548 1.00 0.00 C ATOM 608 O GLY B 41 1.914 -11.344 -6.041 1.00 0.00 O ATOM 0 H GLY B 41 3.650 -8.381 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.243 -10.015 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.001 -10.811 -5.109 1.00 0.00 H new ATOM 612 N GLU B 42 3.345 -12.700 -5.067 1.00 0.00 N ATOM 613 CA GLU B 42 2.394 -13.841 -5.108 1.00 0.00 C ATOM 614 C GLU B 42 1.426 -13.792 -3.918 1.00 0.00 C ATOM 615 O GLU B 42 0.365 -14.383 -3.947 1.00 0.00 O ATOM 616 CB GLU B 42 3.202 -15.136 -5.058 1.00 0.00 C ATOM 617 CG GLU B 42 2.319 -16.311 -5.458 1.00 0.00 C ATOM 618 CD GLU B 42 2.082 -16.285 -6.969 1.00 0.00 C ATOM 619 OE1 GLU B 42 0.980 -16.609 -7.382 1.00 0.00 O ATOM 620 OE2 GLU B 42 3.006 -15.942 -7.689 1.00 0.00 O ATOM 0 H GLU B 42 4.249 -12.910 -4.644 1.00 0.00 H new ATOM 0 HA GLU B 42 1.804 -13.788 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.058 -15.067 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.596 -15.291 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.793 -17.249 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.367 -16.260 -4.930 1.00 0.00 H new ATOM 627 N ARG B 43 1.781 -13.108 -2.869 1.00 0.00 N ATOM 628 CA ARG B 43 0.875 -13.050 -1.680 1.00 0.00 C ATOM 629 C ARG B 43 -0.529 -12.621 -2.115 1.00 0.00 C ATOM 630 O ARG B 43 -1.515 -12.977 -1.501 1.00 0.00 O ATOM 631 CB ARG B 43 1.418 -12.047 -0.654 1.00 0.00 C ATOM 632 CG ARG B 43 2.578 -12.661 0.129 1.00 0.00 C ATOM 633 CD ARG B 43 3.049 -11.670 1.202 1.00 0.00 C ATOM 634 NE ARG B 43 4.459 -11.974 1.570 1.00 0.00 N ATOM 635 CZ ARG B 43 5.096 -11.197 2.402 1.00 0.00 C ATOM 636 NH1 ARG B 43 6.331 -11.462 2.730 1.00 0.00 N ATOM 637 NH2 ARG B 43 4.497 -10.154 2.907 1.00 0.00 N ATOM 0 H ARG B 43 2.654 -12.588 -2.779 1.00 0.00 H new ATOM 0 HA ARG B 43 0.828 -14.040 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG B 43 1.752 -11.142 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG B 43 0.624 -11.752 0.032 1.00 0.00 H new ATOM 0 HG2 ARG B 43 2.263 -13.595 0.594 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.400 -12.902 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG B 43 2.971 -10.649 0.829 1.00 0.00 H new ATOM 0 HD3 ARG B 43 2.409 -11.738 2.082 1.00 0.00 H new ATOM 0 HE ARG B 43 4.926 -12.789 1.172 1.00 0.00 H new ATOM 0 HH11 ARG B 43 6.800 -12.278 2.336 1.00 0.00 H new ATOM 0 HH12 ARG B 43 6.828 -10.853 3.381 1.00 0.00 H new ATOM 0 HH21 ARG B 43 3.532 -9.947 2.651 1.00 0.00 H new ATOM 0 HH22 ARG B 43 4.994 -9.546 3.558 1.00 0.00 H new ATOM 651 N GLY B 44 -0.626 -11.862 -3.165 1.00 0.00 N ATOM 652 CA GLY B 44 -1.967 -11.408 -3.641 1.00 0.00 C ATOM 653 C GLY B 44 -2.433 -10.214 -2.801 1.00 0.00 C ATOM 654 O GLY B 44 -2.416 -10.256 -1.584 1.00 0.00 O ATOM 0 H GLY B 44 0.165 -11.533 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -1.915 -11.127 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.687 -12.223 -3.564 1.00 0.00 H new ATOM 658 N TYR B 45 -2.844 -9.146 -3.444 1.00 0.00 N ATOM 659 CA TYR B 45 -3.312 -7.932 -2.707 1.00 0.00 C ATOM 660 C TYR B 45 -4.729 -7.592 -3.154 1.00 0.00 C ATOM 661 O TYR B 45 -5.282 -8.225 -4.032 1.00 0.00 O ATOM 662 CB TYR B 45 -2.395 -6.750 -3.039 1.00 0.00 C ATOM 663 CG TYR B 45 -2.412 -6.515 -4.529 1.00 0.00 C ATOM 664 CD1 TYR B 45 -3.137 -5.449 -5.072 1.00 0.00 C ATOM 665 CD2 TYR B 45 -1.694 -7.369 -5.364 1.00 0.00 C ATOM 666 CE1 TYR B 45 -3.141 -5.240 -6.454 1.00 0.00 C ATOM 667 CE2 TYR B 45 -1.697 -7.164 -6.749 1.00 0.00 C ATOM 668 CZ TYR B 45 -2.421 -6.098 -7.295 1.00 0.00 C ATOM 669 OH TYR B 45 -2.425 -5.894 -8.660 1.00 0.00 O ATOM 0 H TYR B 45 -2.875 -9.065 -4.460 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.292 -8.127 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -2.729 -5.856 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.379 -6.956 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.693 -4.788 -4.424 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.134 -8.191 -4.942 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.700 -4.416 -6.874 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.141 -7.828 -7.395 1.00 0.00 H new ATOM 0 HH TYR B 45 -1.875 -6.578 -9.095 1.00 0.00 H new ATOM 679 N PHE B 46 -5.313 -6.583 -2.561 1.00 0.00 N ATOM 680 CA PHE B 46 -6.697 -6.165 -2.947 1.00 0.00 C ATOM 681 C PHE B 46 -6.679 -4.683 -3.293 1.00 0.00 C ATOM 682 O PHE B 46 -6.331 -3.846 -2.483 1.00 0.00 O ATOM 683 CB PHE B 46 -7.654 -6.395 -1.784 1.00 0.00 C ATOM 684 CG PHE B 46 -7.731 -7.873 -1.474 1.00 0.00 C ATOM 685 CD1 PHE B 46 -7.136 -8.381 -0.312 1.00 0.00 C ATOM 686 CD2 PHE B 46 -8.400 -8.735 -2.351 1.00 0.00 C ATOM 687 CE1 PHE B 46 -7.211 -9.750 -0.028 1.00 0.00 C ATOM 688 CE2 PHE B 46 -8.475 -10.104 -2.067 1.00 0.00 C ATOM 689 CZ PHE B 46 -7.881 -10.612 -0.906 1.00 0.00 C ATOM 0 H PHE B 46 -4.888 -6.026 -1.820 1.00 0.00 H new ATOM 0 HA PHE B 46 -7.030 -6.751 -3.803 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -7.313 -5.846 -0.906 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -8.644 -6.014 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.619 -7.717 0.365 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -8.859 -8.344 -3.247 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -6.752 -10.142 0.868 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -8.991 -10.768 -2.744 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.939 -11.668 -0.687 1.00 0.00 H new ATOM 699 N TYR B 47 -7.047 -4.360 -4.498 1.00 0.00 N ATOM 700 CA TYR B 47 -7.059 -2.933 -4.945 1.00 0.00 C ATOM 701 C TYR B 47 -8.412 -2.609 -5.584 1.00 0.00 C ATOM 702 O TYR B 47 -8.725 -3.073 -6.662 1.00 0.00 O ATOM 703 CB TYR B 47 -5.952 -2.720 -5.978 1.00 0.00 C ATOM 704 CG TYR B 47 -5.940 -1.272 -6.397 1.00 0.00 C ATOM 705 CD1 TYR B 47 -5.279 -0.324 -5.609 1.00 0.00 C ATOM 706 CD2 TYR B 47 -6.597 -0.875 -7.567 1.00 0.00 C ATOM 707 CE1 TYR B 47 -5.274 1.019 -5.990 1.00 0.00 C ATOM 708 CE2 TYR B 47 -6.591 0.472 -7.950 1.00 0.00 C ATOM 709 CZ TYR B 47 -5.929 1.419 -7.161 1.00 0.00 C ATOM 710 OH TYR B 47 -5.924 2.747 -7.536 1.00 0.00 O ATOM 0 H TYR B 47 -7.345 -5.031 -5.206 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.895 -2.281 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -4.986 -2.997 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.118 -3.361 -6.844 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.773 -0.631 -4.706 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.108 -1.607 -8.174 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -4.764 1.750 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.097 0.779 -8.853 1.00 0.00 H new ATOM 0 HH TYR B 47 -6.423 2.853 -8.373 1.00 0.00 H new ATOM 720 N THR B 48 -9.214 -1.814 -4.932 1.00 0.00 N ATOM 721 CA THR B 48 -10.541 -1.460 -5.509 1.00 0.00 C ATOM 722 C THR B 48 -11.268 -0.502 -4.568 1.00 0.00 C ATOM 723 O THR B 48 -11.195 0.702 -4.717 1.00 0.00 O ATOM 724 CB THR B 48 -11.380 -2.733 -5.698 1.00 0.00 C ATOM 725 OG1 THR B 48 -12.758 -2.402 -5.602 1.00 0.00 O ATOM 726 CG2 THR B 48 -11.029 -3.771 -4.619 1.00 0.00 C ATOM 0 H THR B 48 -9.008 -1.394 -4.025 1.00 0.00 H new ATOM 0 HA THR B 48 -10.397 -0.978 -6.476 1.00 0.00 H new ATOM 0 HB THR B 48 -11.165 -3.158 -6.678 1.00 0.00 H new ATOM 0 HG1 THR B 48 -13.298 -3.211 -5.724 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.632 -4.667 -4.766 1.00 0.00 H new ATOM 0 HG22 THR B 48 -9.972 -4.028 -4.692 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.234 -3.354 -3.633 1.00 0.00 H new ATOM 734 N LYS B 49 -11.958 -1.027 -3.590 1.00 0.00 N ATOM 735 CA LYS B 49 -12.689 -0.163 -2.611 1.00 0.00 C ATOM 736 C LYS B 49 -12.354 -0.641 -1.204 1.00 0.00 C ATOM 737 O LYS B 49 -13.232 -0.919 -0.411 1.00 0.00 O ATOM 738 CB LYS B 49 -14.199 -0.268 -2.850 1.00 0.00 C ATOM 739 CG LYS B 49 -14.622 -1.740 -2.900 1.00 0.00 C ATOM 740 CD LYS B 49 -16.085 -1.835 -3.339 1.00 0.00 C ATOM 741 CE LYS B 49 -16.515 -3.304 -3.393 1.00 0.00 C ATOM 742 NZ LYS B 49 -16.792 -3.792 -2.013 1.00 0.00 N ATOM 0 H LYS B 49 -12.048 -2.029 -3.424 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.389 0.878 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -14.738 0.247 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -14.463 0.226 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -13.986 -2.289 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -14.495 -2.200 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -16.720 -1.286 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -16.211 -1.373 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -17.405 -3.411 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -15.732 -3.907 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -17.165 -4.762 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -15.912 -3.783 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -17.493 -3.172 -1.560 1.00 0.00 H new ATOM 756 N PRO B 50 -11.082 -0.738 -0.900 1.00 0.00 N ATOM 757 CA PRO B 50 -10.598 -1.190 0.425 1.00 0.00 C ATOM 758 C PRO B 50 -11.554 -0.796 1.561 1.00 0.00 C ATOM 759 O PRO B 50 -12.113 -1.638 2.235 1.00 0.00 O ATOM 760 CB PRO B 50 -9.238 -0.478 0.568 1.00 0.00 C ATOM 761 CG PRO B 50 -8.830 -0.028 -0.818 1.00 0.00 C ATOM 762 CD PRO B 50 -9.950 -0.427 -1.786 1.00 0.00 C ATOM 0 HA PRO B 50 -10.527 -2.276 0.491 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -9.317 0.374 1.243 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -8.492 -1.151 0.991 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -8.672 1.050 -0.839 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -7.889 -0.494 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -10.191 0.383 -2.475 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -9.668 -1.288 -2.392 1.00 0.00 H new ATOM 770 N THR B 51 -11.741 0.478 1.774 1.00 0.00 N ATOM 771 CA THR B 51 -12.657 0.926 2.860 1.00 0.00 C ATOM 772 C THR B 51 -14.101 0.601 2.475 1.00 0.00 C ATOM 773 O THR B 51 -14.411 -0.573 2.353 1.00 0.00 O ATOM 774 CB THR B 51 -12.510 2.437 3.058 1.00 0.00 C ATOM 775 OG1 THR B 51 -12.930 3.109 1.879 1.00 0.00 O ATOM 776 CG2 THR B 51 -11.047 2.776 3.348 1.00 0.00 C ATOM 777 OXT THR B 51 -14.872 1.531 2.307 1.00 0.00 O ATOM 0 H THR B 51 -11.299 1.228 1.242 1.00 0.00 H new ATOM 0 HA THR B 51 -12.403 0.411 3.786 1.00 0.00 H new ATOM 0 HB THR B 51 -13.127 2.756 3.898 1.00 0.00 H new ATOM 0 HG1 THR B 51 -13.866 2.888 1.692 1.00 0.00 H new ATOM 0 HG21 THR B 51 -10.944 3.852 3.489 1.00 0.00 H new ATOM 0 HG22 THR B 51 -10.726 2.259 4.253 1.00 0.00 H new ATOM 0 HG23 THR B 51 -10.427 2.459 2.510 1.00 0.00 H new TER 785 THR B 51