USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 372 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 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.129 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 15 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 18 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.22) USER MOD Single : A 19 TYR OH : rot -146:sc= -0.0539 USER MOD Single : A 21 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.3!) USER MOD Single : B 24 ASN : amide:sc= -0.0401 K(o=-0.04,f=-2.9!) USER MOD Single : B 25 GLN : amide:sc= -1.04 X(o=-1,f=-0.94) USER MOD Single : B 26 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-7.9!) 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 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 THR OG1 : rot 100:sc= 0.512 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.777 7.453 0.618 1.00 0.00 N ATOM 2 CA GLY A 1 -7.784 8.616 0.640 1.00 0.00 C ATOM 3 C GLY A 1 -6.344 8.346 0.915 1.00 0.00 C ATOM 4 O GLY A 1 -5.636 9.180 1.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.730 7.814 0.413 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.499 6.773 -0.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.778 6.980 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.844 9.115 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.132 9.328 1.388 1.00 0.00 H new ATOM 10 N ILE A 2 -5.874 7.181 0.566 1.00 0.00 N ATOM 11 CA ILE A 2 -4.443 6.849 0.812 1.00 0.00 C ATOM 12 C ILE A 2 -3.580 7.442 -0.302 1.00 0.00 C ATOM 13 O ILE A 2 -2.554 8.044 -0.053 1.00 0.00 O ATOM 14 CB ILE A 2 -4.273 5.331 0.829 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.013 4.751 2.035 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.786 4.984 0.926 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.810 3.237 2.078 1.00 0.00 C ATOM 0 H ILE A 2 -6.420 6.443 0.120 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.133 7.265 1.771 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.684 4.908 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.643 5.204 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.076 4.984 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.665 3.901 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.259 5.398 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.373 5.405 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.337 2.823 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.201 2.791 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.746 3.015 2.164 1.00 0.00 H new ATOM 29 N VAL A 3 -3.987 7.274 -1.529 1.00 0.00 N ATOM 30 CA VAL A 3 -3.192 7.824 -2.663 1.00 0.00 C ATOM 31 C VAL A 3 -2.956 9.319 -2.452 1.00 0.00 C ATOM 32 O VAL A 3 -2.080 9.911 -3.048 1.00 0.00 O ATOM 33 CB VAL A 3 -3.959 7.614 -3.969 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.450 6.170 -4.045 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.162 8.559 -4.008 1.00 0.00 C ATOM 0 H VAL A 3 -4.838 6.779 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.232 7.310 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.302 7.821 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.997 6.020 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.596 5.493 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.108 5.965 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.711 8.411 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.817 8.349 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.816 9.591 -3.951 1.00 0.00 H new ATOM 45 N GLU A 4 -3.738 9.935 -1.615 1.00 0.00 N ATOM 46 CA GLU A 4 -3.568 11.396 -1.372 1.00 0.00 C ATOM 47 C GLU A 4 -2.631 11.614 -0.182 1.00 0.00 C ATOM 48 O GLU A 4 -2.240 12.725 0.116 1.00 0.00 O ATOM 49 CB GLU A 4 -4.934 12.021 -1.071 1.00 0.00 C ATOM 50 CG GLU A 4 -6.026 11.252 -1.821 1.00 0.00 C ATOM 51 CD GLU A 4 -7.281 12.119 -1.930 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.337 13.134 -1.255 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.166 11.754 -2.687 1.00 0.00 O ATOM 0 H GLU A 4 -4.489 9.492 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.139 11.865 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.128 11.996 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.940 13.069 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.674 10.977 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.257 10.324 -1.297 1.00 0.00 H new ATOM 60 N GLN A 5 -2.270 10.565 0.505 1.00 0.00 N ATOM 61 CA GLN A 5 -1.362 10.719 1.677 1.00 0.00 C ATOM 62 C GLN A 5 0.045 10.230 1.321 1.00 0.00 C ATOM 63 O GLN A 5 1.029 10.719 1.839 1.00 0.00 O ATOM 64 CB GLN A 5 -1.902 9.898 2.848 1.00 0.00 C ATOM 65 CG GLN A 5 -2.239 10.830 4.015 1.00 0.00 C ATOM 66 CD GLN A 5 -1.397 10.448 5.234 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.768 9.575 5.993 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.271 11.069 5.454 1.00 0.00 N ATOM 0 H GLN A 5 -2.564 9.609 0.306 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.314 11.772 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.791 9.348 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.163 9.160 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.044 11.865 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.300 10.759 4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.040 11.802 4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.298 10.822 6.263 1.00 0.00 H new ATOM 77 N CYS A 6 0.152 9.259 0.454 1.00 0.00 N ATOM 78 CA CYS A 6 1.500 8.735 0.088 1.00 0.00 C ATOM 79 C CYS A 6 1.902 9.225 -1.306 1.00 0.00 C ATOM 80 O CYS A 6 2.879 9.926 -1.465 1.00 0.00 O ATOM 81 CB CYS A 6 1.470 7.208 0.111 1.00 0.00 C ATOM 82 SG CYS A 6 1.342 6.645 1.826 1.00 0.00 S ATOM 0 H CYS A 6 -0.633 8.807 -0.015 1.00 0.00 H new ATOM 0 HA CYS A 6 2.232 9.099 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.625 6.840 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.373 6.807 -0.350 1.00 0.00 H new ATOM 87 N CYS A 7 1.165 8.861 -2.320 1.00 0.00 N ATOM 88 CA CYS A 7 1.524 9.314 -3.695 1.00 0.00 C ATOM 89 C CYS A 7 1.816 10.817 -3.675 1.00 0.00 C ATOM 90 O CYS A 7 2.589 11.316 -4.466 1.00 0.00 O ATOM 91 CB CYS A 7 0.360 9.037 -4.645 1.00 0.00 C ATOM 92 SG CYS A 7 0.864 9.435 -6.334 1.00 0.00 S ATOM 0 H CYS A 7 0.334 8.273 -2.257 1.00 0.00 H new ATOM 0 HA CYS A 7 2.407 8.774 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.062 7.991 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.507 9.634 -4.361 1.00 0.00 H new ATOM 97 N THR A 8 1.210 11.546 -2.776 1.00 0.00 N ATOM 98 CA THR A 8 1.472 13.013 -2.719 1.00 0.00 C ATOM 99 C THR A 8 2.899 13.243 -2.217 1.00 0.00 C ATOM 100 O THR A 8 3.482 14.290 -2.420 1.00 0.00 O ATOM 101 CB THR A 8 0.480 13.683 -1.765 1.00 0.00 C ATOM 102 OG1 THR A 8 0.846 15.044 -1.587 1.00 0.00 O ATOM 103 CG2 THR A 8 0.498 12.970 -0.413 1.00 0.00 C ATOM 0 H THR A 8 0.550 11.192 -2.084 1.00 0.00 H new ATOM 0 HA THR A 8 1.353 13.444 -3.713 1.00 0.00 H new ATOM 0 HB THR A 8 -0.523 13.624 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.212 15.476 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.210 13.451 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.217 11.926 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.500 13.024 0.013 1.00 0.00 H new ATOM 111 N SER A 9 3.463 12.264 -1.567 1.00 0.00 N ATOM 112 CA SER A 9 4.852 12.400 -1.048 1.00 0.00 C ATOM 113 C SER A 9 5.506 11.016 -1.017 1.00 0.00 C ATOM 114 O SER A 9 5.174 10.146 -1.797 1.00 0.00 O ATOM 115 CB SER A 9 4.812 12.983 0.366 1.00 0.00 C ATOM 116 OG SER A 9 6.078 13.550 0.677 1.00 0.00 O ATOM 0 H SER A 9 3.017 11.368 -1.372 1.00 0.00 H new ATOM 0 HA SER A 9 5.427 13.064 -1.693 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.033 13.743 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.563 12.204 1.086 1.00 0.00 H new ATOM 0 HG SER A 9 6.055 13.926 1.582 1.00 0.00 H new ATOM 122 N ILE A 10 6.429 10.798 -0.123 1.00 0.00 N ATOM 123 CA ILE A 10 7.088 9.464 -0.055 1.00 0.00 C ATOM 124 C ILE A 10 6.635 8.735 1.210 1.00 0.00 C ATOM 125 O ILE A 10 6.694 9.268 2.301 1.00 0.00 O ATOM 126 CB ILE A 10 8.605 9.642 -0.033 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.001 10.729 -1.034 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.275 8.325 -0.423 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.466 10.363 -2.420 1.00 0.00 C ATOM 0 H ILE A 10 6.755 11.482 0.560 1.00 0.00 H new ATOM 0 HA ILE A 10 6.809 8.876 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 10 8.925 9.932 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.599 11.692 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.086 10.831 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.358 8.449 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.989 7.548 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.957 8.038 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.747 11.137 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.889 9.409 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.380 10.283 -2.381 1.00 0.00 H new ATOM 141 N CYS A 11 6.176 7.521 1.070 1.00 0.00 N ATOM 142 CA CYS A 11 5.711 6.754 2.260 1.00 0.00 C ATOM 143 C CYS A 11 6.667 5.592 2.535 1.00 0.00 C ATOM 144 O CYS A 11 7.461 5.213 1.696 1.00 0.00 O ATOM 145 CB CYS A 11 4.317 6.189 1.983 1.00 0.00 C ATOM 146 SG CYS A 11 3.058 7.286 2.678 1.00 0.00 S ATOM 0 H CYS A 11 6.103 7.027 0.181 1.00 0.00 H new ATOM 0 HA CYS A 11 5.683 7.418 3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.165 6.082 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.225 5.194 2.419 1.00 0.00 H new ATOM 151 N SER A 12 6.581 5.013 3.700 1.00 0.00 N ATOM 152 CA SER A 12 7.466 3.862 4.032 1.00 0.00 C ATOM 153 C SER A 12 6.616 2.590 4.046 1.00 0.00 C ATOM 154 O SER A 12 5.481 2.604 4.476 1.00 0.00 O ATOM 155 CB SER A 12 8.093 4.078 5.410 1.00 0.00 C ATOM 156 OG SER A 12 7.170 3.681 6.415 1.00 0.00 O ATOM 0 H SER A 12 5.934 5.288 4.439 1.00 0.00 H new ATOM 0 HA SER A 12 8.262 3.773 3.293 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.014 3.501 5.498 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.361 5.127 5.540 1.00 0.00 H new ATOM 0 HG SER A 12 7.570 3.817 7.299 1.00 0.00 H new ATOM 162 N LEU A 13 7.138 1.492 3.572 1.00 0.00 N ATOM 163 CA LEU A 13 6.325 0.246 3.564 1.00 0.00 C ATOM 164 C LEU A 13 5.645 0.083 4.921 1.00 0.00 C ATOM 165 O LEU A 13 4.582 -0.496 5.026 1.00 0.00 O ATOM 166 CB LEU A 13 7.210 -0.972 3.282 1.00 0.00 C ATOM 167 CG LEU A 13 6.674 -1.710 2.051 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.156 -1.870 2.172 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.007 -0.899 0.795 1.00 0.00 C ATOM 0 H LEU A 13 8.081 1.405 3.194 1.00 0.00 H new ATOM 0 HA LEU A 13 5.574 0.317 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.240 -0.657 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.219 -1.638 4.145 1.00 0.00 H new ATOM 0 HG LEU A 13 7.135 -2.695 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.775 -2.395 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.921 -2.442 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.690 -0.887 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.628 -1.419 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.542 0.085 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.088 -0.785 0.712 1.00 0.00 H new ATOM 181 N TYR A 14 6.239 0.600 5.960 1.00 0.00 N ATOM 182 CA TYR A 14 5.605 0.482 7.300 1.00 0.00 C ATOM 183 C TYR A 14 4.178 1.017 7.206 1.00 0.00 C ATOM 184 O TYR A 14 3.238 0.392 7.653 1.00 0.00 O ATOM 185 CB TYR A 14 6.395 1.299 8.326 1.00 0.00 C ATOM 186 CG TYR A 14 6.416 0.525 9.666 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.206 0.103 10.277 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.638 0.210 10.305 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.232 -0.606 11.485 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.646 -0.498 11.513 1.00 0.00 C ATOM 191 CZ TYR A 14 6.447 -0.904 12.102 1.00 0.00 C ATOM 192 OH TYR A 14 6.464 -1.603 13.292 1.00 0.00 O ATOM 0 H TYR A 14 7.130 1.096 5.939 1.00 0.00 H new ATOM 0 HA TYR A 14 5.597 -0.561 7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.412 1.469 7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.937 2.279 8.463 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.260 0.330 9.808 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.572 0.518 9.858 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.306 -0.924 11.941 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.585 -0.731 11.992 1.00 0.00 H new ATOM 0 HH TYR A 14 7.391 -1.727 13.585 1.00 0.00 H new ATOM 202 N GLN A 15 4.010 2.165 6.608 1.00 0.00 N ATOM 203 CA GLN A 15 2.644 2.735 6.461 1.00 0.00 C ATOM 204 C GLN A 15 1.838 1.822 5.540 1.00 0.00 C ATOM 205 O GLN A 15 0.679 1.543 5.780 1.00 0.00 O ATOM 206 CB GLN A 15 2.737 4.138 5.854 1.00 0.00 C ATOM 207 CG GLN A 15 3.343 5.100 6.878 1.00 0.00 C ATOM 208 CD GLN A 15 2.241 5.629 7.798 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.155 5.937 7.349 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.478 5.752 9.075 1.00 0.00 N ATOM 0 H GLN A 15 4.761 2.732 6.215 1.00 0.00 H new ATOM 0 HA GLN A 15 2.157 2.805 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.350 4.116 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.747 4.483 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.107 4.589 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.834 5.929 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.390 5.493 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.751 6.107 9.697 1.00 0.00 H new ATOM 219 N LEU A 16 2.451 1.337 4.493 1.00 0.00 N ATOM 220 CA LEU A 16 1.729 0.423 3.569 1.00 0.00 C ATOM 221 C LEU A 16 1.357 -0.842 4.336 1.00 0.00 C ATOM 222 O LEU A 16 0.314 -1.428 4.122 1.00 0.00 O ATOM 223 CB LEU A 16 2.632 0.064 2.384 1.00 0.00 C ATOM 224 CG LEU A 16 2.747 1.261 1.438 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.596 2.350 2.095 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.409 0.817 0.130 1.00 0.00 C ATOM 0 H LEU A 16 3.419 1.536 4.240 1.00 0.00 H new ATOM 0 HA LEU A 16 0.830 0.909 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.620 -0.224 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.224 -0.794 1.851 1.00 0.00 H new ATOM 0 HG LEU A 16 1.752 1.654 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.678 3.203 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.125 2.667 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.591 1.958 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.491 1.670 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.404 0.424 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.804 0.041 -0.339 1.00 0.00 H new ATOM 238 N GLU A 17 2.196 -1.259 5.246 1.00 0.00 N ATOM 239 CA GLU A 17 1.881 -2.470 6.040 1.00 0.00 C ATOM 240 C GLU A 17 0.517 -2.271 6.694 1.00 0.00 C ATOM 241 O GLU A 17 -0.241 -3.202 6.881 1.00 0.00 O ATOM 242 CB GLU A 17 2.949 -2.661 7.117 1.00 0.00 C ATOM 243 CG GLU A 17 3.953 -3.722 6.664 1.00 0.00 C ATOM 244 CD GLU A 17 4.603 -4.366 7.891 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.427 -3.836 8.976 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.267 -5.376 7.725 1.00 0.00 O ATOM 0 H GLU A 17 3.084 -0.810 5.470 1.00 0.00 H new ATOM 0 HA GLU A 17 1.863 -3.352 5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.462 -1.718 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.483 -2.964 8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.450 -4.481 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.716 -3.269 6.031 1.00 0.00 H new ATOM 253 N ASN A 18 0.195 -1.051 7.032 1.00 0.00 N ATOM 254 CA ASN A 18 -1.124 -0.775 7.659 1.00 0.00 C ATOM 255 C ASN A 18 -2.225 -1.054 6.637 1.00 0.00 C ATOM 256 O ASN A 18 -3.325 -1.434 6.984 1.00 0.00 O ATOM 257 CB ASN A 18 -1.189 0.692 8.092 1.00 0.00 C ATOM 258 CG ASN A 18 -2.435 0.918 8.949 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.336 1.131 10.141 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.613 0.882 8.389 1.00 0.00 N ATOM 0 H ASN A 18 0.791 -0.234 6.900 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.259 -1.413 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.294 0.955 8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.215 1.340 7.216 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.450 1.033 8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.697 0.703 7.388 1.00 0.00 H new ATOM 267 N TYR A 19 -1.940 -0.869 5.375 1.00 0.00 N ATOM 268 CA TYR A 19 -2.979 -1.127 4.342 1.00 0.00 C ATOM 269 C TYR A 19 -3.342 -2.613 4.372 1.00 0.00 C ATOM 270 O TYR A 19 -4.494 -2.986 4.275 1.00 0.00 O ATOM 271 CB TYR A 19 -2.445 -0.779 2.947 1.00 0.00 C ATOM 272 CG TYR A 19 -1.735 0.617 2.959 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.752 1.467 4.108 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.031 1.073 1.815 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.089 2.700 4.085 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.382 2.308 1.814 1.00 0.00 C ATOM 277 CZ TYR A 19 -0.407 3.118 2.944 1.00 0.00 C ATOM 278 OH TYR A 19 0.244 4.334 2.934 1.00 0.00 O ATOM 0 H TYR A 19 -1.038 -0.552 5.019 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.853 -0.511 4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.744 -1.546 2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.266 -0.769 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.279 1.157 4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.997 0.454 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.106 3.333 4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.143 2.637 0.930 1.00 0.00 H new ATOM 0 HH TYR A 19 0.193 4.725 2.037 1.00 0.00 H new ATOM 288 N CYS A 20 -2.359 -3.463 4.501 1.00 0.00 N ATOM 289 CA CYS A 20 -2.630 -4.928 4.533 1.00 0.00 C ATOM 290 C CYS A 20 -2.835 -5.382 5.980 1.00 0.00 C ATOM 291 O CYS A 20 -2.188 -6.297 6.449 1.00 0.00 O ATOM 292 CB CYS A 20 -1.437 -5.674 3.935 1.00 0.00 C ATOM 293 SG CYS A 20 -1.473 -5.531 2.131 1.00 0.00 S ATOM 0 H CYS A 20 -1.376 -3.204 4.586 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.529 -5.143 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.506 -5.262 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.468 -6.724 4.227 1.00 0.00 H new ATOM 298 N ASN A 21 -3.729 -4.754 6.692 1.00 0.00 N ATOM 299 CA ASN A 21 -3.968 -5.158 8.107 1.00 0.00 C ATOM 300 C ASN A 21 -4.982 -6.303 8.146 1.00 0.00 C ATOM 301 O ASN A 21 -5.914 -6.269 7.359 1.00 0.00 O ATOM 302 CB ASN A 21 -4.514 -3.967 8.895 1.00 0.00 C ATOM 303 CG ASN A 21 -4.943 -4.434 10.288 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.575 -5.508 10.721 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.710 -3.667 11.013 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.809 -7.193 8.962 1.00 0.00 O ATOM 0 H ASN A 21 -4.303 -3.980 6.357 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.029 -5.487 8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.753 -3.191 8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.362 -3.527 8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.000 -3.969 11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.019 -2.765 10.650 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.863 -1.216 1.726 1.00 0.00 N ATOM 315 CA PHE B 22 12.235 -1.131 0.376 1.00 0.00 C ATOM 316 C PHE B 22 11.349 0.115 0.309 1.00 0.00 C ATOM 317 O PHE B 22 10.424 0.192 -0.476 1.00 0.00 O ATOM 318 CB PHE B 22 11.387 -2.384 0.111 1.00 0.00 C ATOM 319 CG PHE B 22 10.977 -3.021 1.420 1.00 0.00 C ATOM 320 CD1 PHE B 22 9.958 -2.446 2.191 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.618 -4.186 1.863 1.00 0.00 C ATOM 322 CE1 PHE B 22 9.580 -3.037 3.405 1.00 0.00 C ATOM 323 CE2 PHE B 22 11.240 -4.776 3.076 1.00 0.00 C ATOM 324 CZ PHE B 22 10.220 -4.202 3.847 1.00 0.00 C ATOM 0 HA PHE B 22 13.016 -1.067 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE B 22 10.501 -2.118 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE B 22 11.955 -3.097 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE B 22 9.464 -1.548 1.850 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.404 -4.629 1.269 1.00 0.00 H new ATOM 0 HE1 PHE B 22 8.795 -2.594 4.000 1.00 0.00 H new ATOM 0 HE2 PHE B 22 11.735 -5.673 3.417 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.928 -4.658 4.781 1.00 0.00 H new ATOM 336 N VAL B 23 11.631 1.093 1.125 1.00 0.00 N ATOM 337 CA VAL B 23 10.812 2.338 1.110 1.00 0.00 C ATOM 338 C VAL B 23 11.373 3.310 0.089 1.00 0.00 C ATOM 339 O VAL B 23 12.085 2.945 -0.826 1.00 0.00 O ATOM 340 CB VAL B 23 10.847 3.007 2.486 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.278 2.058 3.516 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.289 3.362 2.855 1.00 0.00 C ATOM 0 H VAL B 23 12.394 1.084 1.802 1.00 0.00 H new ATOM 0 HA VAL B 23 9.786 2.074 0.853 1.00 0.00 H new ATOM 0 HB VAL B 23 10.252 3.920 2.460 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.301 2.530 4.498 1.00 0.00 H new ATOM 0 HG12 VAL B 23 9.248 1.813 3.255 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.874 1.146 3.538 1.00 0.00 H new ATOM 0 HG21 VAL B 23 12.307 3.838 3.835 1.00 0.00 H new ATOM 0 HG22 VAL B 23 12.892 2.454 2.881 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.697 4.047 2.112 1.00 0.00 H new ATOM 352 N ASN B 24 11.050 4.551 0.258 1.00 0.00 N ATOM 353 CA ASN B 24 11.546 5.598 -0.679 1.00 0.00 C ATOM 354 C ASN B 24 11.026 5.316 -2.089 1.00 0.00 C ATOM 355 O ASN B 24 11.783 5.040 -2.999 1.00 0.00 O ATOM 356 CB ASN B 24 13.074 5.590 -0.689 1.00 0.00 C ATOM 357 CG ASN B 24 13.585 6.870 -1.352 1.00 0.00 C ATOM 358 OD1 ASN B 24 12.896 7.871 -1.381 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.773 6.881 -1.892 1.00 0.00 N ATOM 0 H ASN B 24 10.457 4.896 1.013 1.00 0.00 H new ATOM 0 HA ASN B 24 11.188 6.574 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.455 5.518 0.330 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.440 4.717 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.123 7.729 -2.338 1.00 0.00 H new ATOM 0 HD22 ASN B 24 15.352 6.042 -1.868 1.00 0.00 H new ATOM 366 N GLN B 25 9.741 5.388 -2.276 1.00 0.00 N ATOM 367 CA GLN B 25 9.167 5.130 -3.626 1.00 0.00 C ATOM 368 C GLN B 25 7.921 5.997 -3.818 1.00 0.00 C ATOM 369 O GLN B 25 7.566 6.786 -2.966 1.00 0.00 O ATOM 370 CB GLN B 25 8.788 3.651 -3.746 1.00 0.00 C ATOM 371 CG GLN B 25 9.583 3.010 -4.886 1.00 0.00 C ATOM 372 CD GLN B 25 9.028 3.487 -6.228 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.063 2.944 -6.727 1.00 0.00 O ATOM 374 NE2 GLN B 25 9.600 4.489 -6.836 1.00 0.00 N ATOM 0 H GLN B 25 9.060 5.615 -1.551 1.00 0.00 H new ATOM 0 HA GLN B 25 9.904 5.376 -4.391 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.995 3.135 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.719 3.553 -3.934 1.00 0.00 H new ATOM 0 HG2 GLN B 25 10.637 3.275 -4.802 1.00 0.00 H new ATOM 0 HG3 GLN B 25 9.521 1.924 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN B 25 10.410 4.945 -6.417 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.237 4.817 -7.731 1.00 0.00 H new ATOM 383 N HIS B 26 7.254 5.857 -4.931 1.00 0.00 N ATOM 384 CA HIS B 26 6.031 6.673 -5.177 1.00 0.00 C ATOM 385 C HIS B 26 4.972 5.761 -5.805 1.00 0.00 C ATOM 386 O HIS B 26 5.266 4.653 -6.205 1.00 0.00 O ATOM 387 CB HIS B 26 6.366 7.795 -6.159 1.00 0.00 C ATOM 388 CG HIS B 26 5.769 9.092 -5.693 1.00 0.00 C ATOM 389 ND1 HIS B 26 5.996 9.570 -4.421 1.00 0.00 N ATOM 390 CD2 HIS B 26 5.002 10.015 -6.348 1.00 0.00 C ATOM 391 CE1 HIS B 26 5.374 10.754 -4.339 1.00 0.00 C ATOM 392 NE2 HIS B 26 4.751 11.068 -5.495 1.00 0.00 N ATOM 0 H HIS B 26 7.503 5.212 -5.681 1.00 0.00 H new ATOM 0 HA HIS B 26 5.665 7.102 -4.244 1.00 0.00 H new ATOM 0 HB2 HIS B 26 7.447 7.897 -6.250 1.00 0.00 H new ATOM 0 HB3 HIS B 26 5.985 7.546 -7.149 1.00 0.00 H new ATOM 0 HD2 HIS B 26 4.651 9.933 -7.366 1.00 0.00 H new ATOM 0 HE1 HIS B 26 5.371 11.379 -3.458 1.00 0.00 H new ATOM 0 HE2 HIS B 26 4.208 11.908 -5.695 1.00 0.00 H new ATOM 400 N LEU B 27 3.749 6.204 -5.908 1.00 0.00 N ATOM 401 CA LEU B 27 2.707 5.330 -6.525 1.00 0.00 C ATOM 402 C LEU B 27 1.505 6.190 -6.969 1.00 0.00 C ATOM 403 O LEU B 27 1.700 7.240 -7.529 1.00 0.00 O ATOM 404 CB LEU B 27 2.304 4.238 -5.517 1.00 0.00 C ATOM 405 CG LEU B 27 2.522 4.735 -4.088 1.00 0.00 C ATOM 406 CD1 LEU B 27 1.509 5.831 -3.761 1.00 0.00 C ATOM 407 CD2 LEU B 27 2.341 3.565 -3.120 1.00 0.00 C ATOM 0 H LEU B 27 3.427 7.121 -5.597 1.00 0.00 H new ATOM 0 HA LEU B 27 3.098 4.836 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.258 3.968 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.892 3.337 -5.691 1.00 0.00 H new ATOM 0 HG LEU B 27 3.529 5.141 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.669 6.182 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU B 27 1.636 6.662 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.499 5.432 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.495 3.911 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU B 27 1.333 3.163 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.066 2.785 -3.352 1.00 0.00 H new ATOM 419 N CYS B 28 0.285 5.732 -6.739 1.00 0.00 N ATOM 420 CA CYS B 28 -0.971 6.466 -7.143 1.00 0.00 C ATOM 421 C CYS B 28 -1.960 5.462 -7.735 1.00 0.00 C ATOM 422 O CYS B 28 -1.600 4.635 -8.550 1.00 0.00 O ATOM 423 CB CYS B 28 -0.734 7.569 -8.193 1.00 0.00 C ATOM 424 SG CYS B 28 -0.823 9.213 -7.418 1.00 0.00 S ATOM 0 H CYS B 28 0.105 4.845 -6.269 1.00 0.00 H new ATOM 0 HA CYS B 28 -1.352 6.947 -6.242 1.00 0.00 H new ATOM 0 HB2 CYS B 28 0.242 7.432 -8.659 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -1.479 7.492 -8.985 1.00 0.00 H new ATOM 429 N GLY B 29 -3.202 5.542 -7.333 1.00 0.00 N ATOM 430 CA GLY B 29 -4.246 4.613 -7.864 1.00 0.00 C ATOM 431 C GLY B 29 -3.649 3.235 -8.156 1.00 0.00 C ATOM 432 O GLY B 29 -3.240 2.519 -7.263 1.00 0.00 O ATOM 0 H GLY B 29 -3.542 6.220 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -5.056 4.518 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -4.679 5.027 -8.775 1.00 0.00 H new ATOM 436 N SER B 30 -3.603 2.859 -9.406 1.00 0.00 N ATOM 437 CA SER B 30 -3.041 1.529 -9.774 1.00 0.00 C ATOM 438 C SER B 30 -1.698 1.320 -9.076 1.00 0.00 C ATOM 439 O SER B 30 -1.505 0.353 -8.365 1.00 0.00 O ATOM 440 CB SER B 30 -2.842 1.464 -11.289 1.00 0.00 C ATOM 441 OG SER B 30 -3.511 0.320 -11.803 1.00 0.00 O ATOM 0 H SER B 30 -3.933 3.420 -10.192 1.00 0.00 H new ATOM 0 HA SER B 30 -3.733 0.748 -9.460 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.231 2.368 -11.757 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.779 1.415 -11.526 1.00 0.00 H new ATOM 0 HG SER B 30 -3.386 0.277 -12.774 1.00 0.00 H new ATOM 447 N ASP B 31 -0.765 2.213 -9.272 1.00 0.00 N ATOM 448 CA ASP B 31 0.561 2.050 -8.615 1.00 0.00 C ATOM 449 C ASP B 31 0.350 1.640 -7.158 1.00 0.00 C ATOM 450 O ASP B 31 1.121 0.889 -6.595 1.00 0.00 O ATOM 451 CB ASP B 31 1.333 3.369 -8.667 1.00 0.00 C ATOM 452 CG ASP B 31 1.392 3.875 -10.109 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.394 4.402 -10.572 1.00 0.00 O ATOM 454 OD2 ASP B 31 2.434 3.727 -10.726 1.00 0.00 O ATOM 0 H ASP B 31 -0.864 3.044 -9.856 1.00 0.00 H new ATOM 0 HA ASP B 31 1.133 1.282 -9.137 1.00 0.00 H new ATOM 0 HB2 ASP B 31 0.849 4.110 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.342 3.227 -8.280 1.00 0.00 H new ATOM 459 N LEU B 32 -0.698 2.119 -6.543 1.00 0.00 N ATOM 460 CA LEU B 32 -0.956 1.741 -5.126 1.00 0.00 C ATOM 461 C LEU B 32 -1.265 0.249 -5.060 1.00 0.00 C ATOM 462 O LEU B 32 -0.463 -0.539 -4.600 1.00 0.00 O ATOM 463 CB LEU B 32 -2.149 2.531 -4.586 1.00 0.00 C ATOM 464 CG LEU B 32 -1.766 3.202 -3.266 1.00 0.00 C ATOM 465 CD1 LEU B 32 -0.882 4.409 -3.554 1.00 0.00 C ATOM 466 CD2 LEU B 32 -3.032 3.668 -2.546 1.00 0.00 C ATOM 0 H LEU B 32 -1.382 2.752 -6.958 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.077 1.967 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.458 3.283 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.999 1.866 -4.434 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.228 2.491 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.607 4.890 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.020 4.084 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.426 5.117 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.760 4.146 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.566 4.381 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.673 2.810 -2.345 1.00 0.00 H new ATOM 478 N VAL B 33 -2.415 -0.156 -5.528 1.00 0.00 N ATOM 479 CA VAL B 33 -2.745 -1.605 -5.495 1.00 0.00 C ATOM 480 C VAL B 33 -1.559 -2.378 -6.069 1.00 0.00 C ATOM 481 O VAL B 33 -1.350 -3.536 -5.766 1.00 0.00 O ATOM 482 CB VAL B 33 -3.997 -1.880 -6.332 1.00 0.00 C ATOM 483 CG1 VAL B 33 -5.134 -0.969 -5.866 1.00 0.00 C ATOM 484 CG2 VAL B 33 -3.701 -1.610 -7.810 1.00 0.00 C ATOM 0 H VAL B 33 -3.132 0.449 -5.928 1.00 0.00 H new ATOM 0 HA VAL B 33 -2.941 -1.919 -4.470 1.00 0.00 H new ATOM 0 HB VAL B 33 -4.290 -2.922 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.025 -1.165 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -5.350 -1.165 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -4.838 0.073 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.595 -1.807 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.404 -0.569 -7.937 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.894 -2.261 -8.144 1.00 0.00 H new ATOM 494 N GLU B 34 -0.771 -1.735 -6.889 1.00 0.00 N ATOM 495 CA GLU B 34 0.410 -2.414 -7.477 1.00 0.00 C ATOM 496 C GLU B 34 1.501 -2.526 -6.412 1.00 0.00 C ATOM 497 O GLU B 34 1.894 -3.609 -6.030 1.00 0.00 O ATOM 498 CB GLU B 34 0.931 -1.595 -8.658 1.00 0.00 C ATOM 499 CG GLU B 34 0.413 -2.199 -9.964 1.00 0.00 C ATOM 500 CD GLU B 34 1.260 -1.693 -11.133 1.00 0.00 C ATOM 501 OE1 GLU B 34 0.961 -0.623 -11.636 1.00 0.00 O ATOM 502 OE2 GLU B 34 2.193 -2.386 -11.506 1.00 0.00 O ATOM 0 H GLU B 34 -0.899 -0.764 -7.175 1.00 0.00 H new ATOM 0 HA GLU B 34 0.130 -3.409 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.604 -0.559 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.021 -1.586 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.455 -3.287 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.632 -1.927 -10.114 1.00 0.00 H new ATOM 509 N ALA B 35 1.987 -1.416 -5.916 1.00 0.00 N ATOM 510 CA ALA B 35 3.042 -1.482 -4.867 1.00 0.00 C ATOM 511 C ALA B 35 2.501 -2.294 -3.693 1.00 0.00 C ATOM 512 O ALA B 35 3.167 -3.152 -3.149 1.00 0.00 O ATOM 513 CB ALA B 35 3.394 -0.068 -4.398 1.00 0.00 C ATOM 0 H ALA B 35 1.700 -0.476 -6.191 1.00 0.00 H new ATOM 0 HA ALA B 35 3.940 -1.952 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.166 -0.121 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.761 0.515 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.505 0.411 -3.986 1.00 0.00 H new ATOM 519 N LEU B 36 1.281 -2.037 -3.317 1.00 0.00 N ATOM 520 CA LEU B 36 0.657 -2.793 -2.199 1.00 0.00 C ATOM 521 C LEU B 36 0.690 -4.284 -2.536 1.00 0.00 C ATOM 522 O LEU B 36 0.804 -5.136 -1.676 1.00 0.00 O ATOM 523 CB LEU B 36 -0.804 -2.356 -2.071 1.00 0.00 C ATOM 524 CG LEU B 36 -0.918 -1.166 -1.121 1.00 0.00 C ATOM 525 CD1 LEU B 36 -0.855 -1.672 0.314 1.00 0.00 C ATOM 526 CD2 LEU B 36 0.229 -0.180 -1.369 1.00 0.00 C ATOM 0 H LEU B 36 0.684 -1.328 -3.742 1.00 0.00 H new ATOM 0 HA LEU B 36 1.194 -2.604 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.198 -2.087 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.408 -3.185 -1.701 1.00 0.00 H new ATOM 0 HG LEU B 36 -1.864 -0.653 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.936 -0.829 1.001 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.677 -2.365 0.492 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.093 -2.184 0.478 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.137 0.664 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.182 -0.681 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.184 0.179 -2.397 1.00 0.00 H new ATOM 538 N TYR B 37 0.569 -4.589 -3.797 1.00 0.00 N ATOM 539 CA TYR B 37 0.563 -6.009 -4.252 1.00 0.00 C ATOM 540 C TYR B 37 1.989 -6.570 -4.258 1.00 0.00 C ATOM 541 O TYR B 37 2.192 -7.768 -4.298 1.00 0.00 O ATOM 542 CB TYR B 37 -0.030 -6.062 -5.668 1.00 0.00 C ATOM 543 CG TYR B 37 0.445 -7.343 -6.397 1.00 0.00 C ATOM 544 CD1 TYR B 37 -0.081 -8.614 -6.054 1.00 0.00 C ATOM 545 CD2 TYR B 37 1.421 -7.271 -7.419 1.00 0.00 C ATOM 546 CE1 TYR B 37 0.358 -9.766 -6.721 1.00 0.00 C ATOM 547 CE2 TYR B 37 1.850 -8.431 -8.075 1.00 0.00 C ATOM 548 CZ TYR B 37 1.320 -9.673 -7.728 1.00 0.00 C ATOM 549 OH TYR B 37 1.747 -10.812 -8.381 1.00 0.00 O ATOM 0 H TYR B 37 0.472 -3.903 -4.545 1.00 0.00 H new ATOM 0 HA TYR B 37 -0.038 -6.613 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -1.119 -6.047 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR B 37 0.274 -5.180 -6.231 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.824 -8.695 -5.274 1.00 0.00 H new ATOM 0 HD2 TYR B 37 1.838 -6.314 -7.695 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.050 -10.730 -6.455 1.00 0.00 H new ATOM 0 HE2 TYR B 37 2.595 -8.363 -8.854 1.00 0.00 H new ATOM 0 HH TYR B 37 2.418 -10.571 -9.054 1.00 0.00 H new ATOM 559 N LEU B 38 2.975 -5.722 -4.219 1.00 0.00 N ATOM 560 CA LEU B 38 4.378 -6.229 -4.224 1.00 0.00 C ATOM 561 C LEU B 38 4.837 -6.425 -2.785 1.00 0.00 C ATOM 562 O LEU B 38 5.607 -7.314 -2.480 1.00 0.00 O ATOM 563 CB LEU B 38 5.322 -5.234 -4.914 1.00 0.00 C ATOM 564 CG LEU B 38 4.532 -4.276 -5.802 1.00 0.00 C ATOM 565 CD1 LEU B 38 5.484 -3.257 -6.431 1.00 0.00 C ATOM 566 CD2 LEU B 38 3.824 -5.058 -6.907 1.00 0.00 C ATOM 0 H LEU B 38 2.875 -4.707 -4.184 1.00 0.00 H new ATOM 0 HA LEU B 38 4.405 -7.171 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.877 -4.670 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.055 -5.774 -5.513 1.00 0.00 H new ATOM 0 HG LEU B 38 3.790 -3.757 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU B 38 4.919 -2.574 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU B 38 5.984 -2.692 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU B 38 6.229 -3.778 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.262 -4.369 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU B 38 4.563 -5.583 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.141 -5.781 -6.461 1.00 0.00 H new ATOM 578 N VAL B 39 4.372 -5.594 -1.898 1.00 0.00 N ATOM 579 CA VAL B 39 4.779 -5.719 -0.477 1.00 0.00 C ATOM 580 C VAL B 39 3.818 -6.666 0.247 1.00 0.00 C ATOM 581 O VAL B 39 4.091 -7.133 1.336 1.00 0.00 O ATOM 582 CB VAL B 39 4.758 -4.329 0.170 1.00 0.00 C ATOM 583 CG1 VAL B 39 5.255 -3.295 -0.842 1.00 0.00 C ATOM 584 CG2 VAL B 39 3.337 -3.963 0.600 1.00 0.00 C ATOM 0 H VAL B 39 3.725 -4.831 -2.098 1.00 0.00 H new ATOM 0 HA VAL B 39 5.787 -6.129 -0.408 1.00 0.00 H new ATOM 0 HB VAL B 39 5.404 -4.339 1.048 1.00 0.00 H new ATOM 0 HG11 VAL B 39 5.242 -2.305 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL B 39 6.273 -3.542 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.605 -3.301 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.339 -2.974 1.057 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.683 -3.959 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.975 -4.696 1.321 1.00 0.00 H new ATOM 594 N CYS B 40 2.697 -6.956 -0.355 1.00 0.00 N ATOM 595 CA CYS B 40 1.721 -7.877 0.290 1.00 0.00 C ATOM 596 C CYS B 40 1.597 -9.152 -0.547 1.00 0.00 C ATOM 597 O CYS B 40 1.008 -10.127 -0.125 1.00 0.00 O ATOM 598 CB CYS B 40 0.356 -7.190 0.384 1.00 0.00 C ATOM 599 SG CYS B 40 0.445 -5.830 1.573 1.00 0.00 S ATOM 0 H CYS B 40 2.415 -6.594 -1.266 1.00 0.00 H new ATOM 0 HA CYS B 40 2.067 -8.132 1.292 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.059 -6.813 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.404 -7.908 0.693 1.00 0.00 H new ATOM 604 N GLY B 41 2.149 -9.154 -1.731 1.00 0.00 N ATOM 605 CA GLY B 41 2.064 -10.368 -2.592 1.00 0.00 C ATOM 606 C GLY B 41 0.629 -10.899 -2.594 1.00 0.00 C ATOM 607 O GLY B 41 0.353 -11.963 -2.078 1.00 0.00 O ATOM 0 H GLY B 41 2.655 -8.368 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY B 41 2.374 -10.127 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY B 41 2.745 -11.135 -2.224 1.00 0.00 H new ATOM 611 N GLU B 42 -0.280 -10.161 -3.175 1.00 0.00 N ATOM 612 CA GLU B 42 -1.707 -10.601 -3.228 1.00 0.00 C ATOM 613 C GLU B 42 -2.100 -11.301 -1.926 1.00 0.00 C ATOM 614 O GLU B 42 -2.826 -12.276 -1.929 1.00 0.00 O ATOM 615 CB GLU B 42 -1.912 -11.554 -4.409 1.00 0.00 C ATOM 616 CG GLU B 42 -1.240 -12.904 -4.133 1.00 0.00 C ATOM 617 CD GLU B 42 -2.115 -14.030 -4.687 1.00 0.00 C ATOM 618 OE1 GLU B 42 -3.059 -13.725 -5.399 1.00 0.00 O ATOM 619 OE2 GLU B 42 -1.829 -15.178 -4.389 1.00 0.00 O ATOM 0 H GLU B 42 -0.093 -9.262 -3.620 1.00 0.00 H new ATOM 0 HA GLU B 42 -2.338 -9.722 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -2.978 -11.701 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -1.497 -11.113 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -0.254 -12.933 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -1.093 -13.037 -3.061 1.00 0.00 H new ATOM 626 N ARG B 43 -1.634 -10.812 -0.815 1.00 0.00 N ATOM 627 CA ARG B 43 -1.992 -11.451 0.482 1.00 0.00 C ATOM 628 C ARG B 43 -3.497 -11.301 0.712 1.00 0.00 C ATOM 629 O ARG B 43 -4.102 -10.331 0.301 1.00 0.00 O ATOM 630 CB ARG B 43 -1.231 -10.772 1.623 1.00 0.00 C ATOM 631 CG ARG B 43 -1.604 -11.436 2.950 1.00 0.00 C ATOM 632 CD ARG B 43 -0.338 -11.695 3.770 1.00 0.00 C ATOM 633 NE ARG B 43 -0.711 -11.969 5.187 1.00 0.00 N ATOM 634 CZ ARG B 43 -0.963 -13.191 5.572 1.00 0.00 C ATOM 635 NH1 ARG B 43 -1.219 -14.115 4.686 1.00 0.00 N ATOM 636 NH2 ARG B 43 -0.963 -13.488 6.843 1.00 0.00 N ATOM 0 H ARG B 43 -1.022 -9.999 -0.746 1.00 0.00 H new ATOM 0 HA ARG B 43 -1.724 -12.507 0.455 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -0.157 -10.849 1.455 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -1.473 -9.710 1.655 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -2.287 -10.796 3.509 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -2.127 -12.374 2.764 1.00 0.00 H new ATOM 0 HD2 ARG B 43 0.209 -12.542 3.356 1.00 0.00 H new ATOM 0 HD3 ARG B 43 0.325 -10.831 3.718 1.00 0.00 H new ATOM 0 HE ARG B 43 -0.769 -11.201 5.856 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -1.222 -13.882 3.693 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -1.416 -15.070 4.987 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -0.766 -12.765 7.536 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -1.160 -14.443 7.144 1.00 0.00 H new ATOM 650 N GLY B 44 -4.109 -12.254 1.358 1.00 0.00 N ATOM 651 CA GLY B 44 -5.576 -12.160 1.601 1.00 0.00 C ATOM 652 C GLY B 44 -6.323 -12.544 0.323 1.00 0.00 C ATOM 653 O GLY B 44 -5.779 -12.495 -0.762 1.00 0.00 O ATOM 0 H GLY B 44 -3.659 -13.091 1.727 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -5.865 -12.822 2.418 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -5.843 -11.147 1.902 1.00 0.00 H new ATOM 657 N GLY B 45 -7.564 -12.929 0.438 1.00 0.00 N ATOM 658 CA GLY B 45 -8.337 -13.318 -0.775 1.00 0.00 C ATOM 659 C GLY B 45 -8.957 -12.074 -1.415 1.00 0.00 C ATOM 660 O GLY B 45 -9.610 -12.152 -2.437 1.00 0.00 O ATOM 0 H GLY B 45 -8.076 -12.991 1.318 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -7.683 -13.818 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -9.119 -14.028 -0.507 1.00 0.00 H new ATOM 664 N PHE B 46 -8.761 -10.927 -0.825 1.00 0.00 N ATOM 665 CA PHE B 46 -9.343 -9.684 -1.404 1.00 0.00 C ATOM 666 C PHE B 46 -8.241 -8.630 -1.558 1.00 0.00 C ATOM 667 O PHE B 46 -7.111 -8.946 -1.869 1.00 0.00 O ATOM 668 CB PHE B 46 -10.445 -9.161 -0.476 1.00 0.00 C ATOM 669 CG PHE B 46 -11.469 -8.323 -1.309 1.00 0.00 C ATOM 670 CD1 PHE B 46 -11.818 -8.689 -2.646 1.00 0.00 C ATOM 671 CD2 PHE B 46 -12.079 -7.165 -0.761 1.00 0.00 C ATOM 672 CE1 PHE B 46 -12.737 -7.923 -3.376 1.00 0.00 C ATOM 673 CE2 PHE B 46 -12.994 -6.415 -1.511 1.00 0.00 C ATOM 674 CZ PHE B 46 -13.322 -6.793 -2.811 1.00 0.00 C ATOM 0 H PHE B 46 -8.224 -10.797 0.032 1.00 0.00 H new ATOM 0 HA PHE B 46 -9.771 -9.897 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -10.951 -9.994 0.012 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -10.011 -8.546 0.312 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -11.370 -9.562 -3.097 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -11.835 -6.858 0.245 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -12.993 -8.212 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -13.449 -5.536 -1.078 1.00 0.00 H new ATOM 0 HZ PHE B 46 -14.030 -6.209 -3.381 1.00 0.00 H new ATOM 684 N TYR B 47 -8.558 -7.380 -1.347 1.00 0.00 N ATOM 685 CA TYR B 47 -7.526 -6.314 -1.487 1.00 0.00 C ATOM 686 C TYR B 47 -7.293 -5.653 -0.124 1.00 0.00 C ATOM 687 O TYR B 47 -6.309 -4.971 0.086 1.00 0.00 O ATOM 688 CB TYR B 47 -8.014 -5.274 -2.508 1.00 0.00 C ATOM 689 CG TYR B 47 -7.312 -3.902 -2.240 1.00 0.00 C ATOM 690 CD1 TYR B 47 -5.902 -3.755 -2.384 1.00 0.00 C ATOM 691 CD2 TYR B 47 -8.059 -2.765 -1.831 1.00 0.00 C ATOM 692 CE1 TYR B 47 -5.286 -2.522 -2.132 1.00 0.00 C ATOM 693 CE2 TYR B 47 -7.423 -1.543 -1.585 1.00 0.00 C ATOM 694 CZ TYR B 47 -6.044 -1.421 -1.736 1.00 0.00 C ATOM 695 OH TYR B 47 -5.428 -0.211 -1.491 1.00 0.00 O ATOM 0 H TYR B 47 -9.487 -7.052 -1.084 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.587 -6.744 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -7.795 -5.614 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -9.096 -5.160 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.304 -4.600 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -9.129 -2.845 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -4.216 -2.424 -2.245 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -8.006 -0.688 -1.276 1.00 0.00 H new ATOM 0 HH TYR B 47 -6.100 0.451 -1.226 1.00 0.00 H new ATOM 705 N THR B 48 -8.190 -5.849 0.800 1.00 0.00 N ATOM 706 CA THR B 48 -8.019 -5.231 2.145 1.00 0.00 C ATOM 707 C THR B 48 -8.869 -5.987 3.162 1.00 0.00 C ATOM 708 O THR B 48 -8.462 -6.219 4.283 1.00 0.00 O ATOM 709 CB THR B 48 -8.460 -3.766 2.095 1.00 0.00 C ATOM 710 OG1 THR B 48 -7.700 -3.077 1.111 1.00 0.00 O ATOM 711 CG2 THR B 48 -8.237 -3.118 3.461 1.00 0.00 C ATOM 0 H THR B 48 -9.034 -6.410 0.683 1.00 0.00 H new ATOM 0 HA THR B 48 -6.971 -5.282 2.439 1.00 0.00 H new ATOM 0 HB THR B 48 -9.518 -3.713 1.839 1.00 0.00 H new ATOM 0 HG1 THR B 48 -8.230 -2.987 0.292 1.00 0.00 H new ATOM 0 HG21 THR B 48 -8.551 -2.075 3.425 1.00 0.00 H new ATOM 0 HG22 THR B 48 -8.821 -3.647 4.214 1.00 0.00 H new ATOM 0 HG23 THR B 48 -7.179 -3.169 3.720 1.00 0.00 H new ATOM 719 N LYS B 49 -10.046 -6.374 2.774 1.00 0.00 N ATOM 720 CA LYS B 49 -10.935 -7.120 3.706 1.00 0.00 C ATOM 721 C LYS B 49 -11.223 -8.507 3.124 1.00 0.00 C ATOM 722 O LYS B 49 -12.212 -8.700 2.445 1.00 0.00 O ATOM 723 CB LYS B 49 -12.249 -6.355 3.880 1.00 0.00 C ATOM 724 CG LYS B 49 -12.250 -5.646 5.236 1.00 0.00 C ATOM 725 CD LYS B 49 -13.046 -4.344 5.133 1.00 0.00 C ATOM 726 CE LYS B 49 -14.477 -4.581 5.616 1.00 0.00 C ATOM 727 NZ LYS B 49 -15.229 -3.295 5.594 1.00 0.00 N ATOM 0 H LYS B 49 -10.436 -6.206 1.846 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.447 -7.224 4.675 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.368 -5.628 3.077 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.093 -7.041 3.816 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -12.688 -6.293 5.996 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.227 -5.435 5.548 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.572 -3.567 5.733 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -13.053 -3.990 4.102 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -14.971 -5.314 4.978 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -14.468 -4.992 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -16.202 -3.456 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -14.762 -2.609 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -15.249 -2.921 4.624 1.00 0.00 H new ATOM 741 N PRO B 50 -10.341 -9.431 3.407 1.00 0.00 N ATOM 742 CA PRO B 50 -10.458 -10.814 2.925 1.00 0.00 C ATOM 743 C PRO B 50 -11.503 -11.584 3.738 1.00 0.00 C ATOM 744 O PRO B 50 -12.051 -11.081 4.699 1.00 0.00 O ATOM 745 CB PRO B 50 -9.058 -11.394 3.142 1.00 0.00 C ATOM 746 CG PRO B 50 -8.392 -10.521 4.229 1.00 0.00 C ATOM 747 CD PRO B 50 -9.146 -9.179 4.235 1.00 0.00 C ATOM 0 HA PRO B 50 -10.782 -10.876 1.886 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -9.113 -12.435 3.459 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -8.480 -11.372 2.218 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -8.452 -11.004 5.204 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -7.334 -10.371 4.012 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -9.419 -8.880 5.247 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -8.535 -8.377 3.819 1.00 0.00 H new ATOM 755 N THR B 51 -11.782 -12.801 3.359 1.00 0.00 N ATOM 756 CA THR B 51 -12.789 -13.603 4.108 1.00 0.00 C ATOM 757 C THR B 51 -12.216 -14.990 4.406 1.00 0.00 C ATOM 758 O THR B 51 -11.722 -15.182 5.505 1.00 0.00 O ATOM 759 CB THR B 51 -14.057 -13.745 3.264 1.00 0.00 C ATOM 760 OG1 THR B 51 -13.872 -13.090 2.018 1.00 0.00 O ATOM 761 CG2 THR B 51 -15.237 -13.114 4.005 1.00 0.00 C ATOM 762 OXT THR B 51 -12.282 -15.837 3.530 1.00 0.00 O ATOM 0 H THR B 51 -11.356 -13.274 2.562 1.00 0.00 H new ATOM 0 HA THR B 51 -13.031 -13.101 5.045 1.00 0.00 H new ATOM 0 HB THR B 51 -14.262 -14.801 3.091 1.00 0.00 H new ATOM 0 HG1 THR B 51 -14.683 -13.182 1.476 1.00 0.00 H new ATOM 0 HG21 THR B 51 -16.140 -13.215 3.404 1.00 0.00 H new ATOM 0 HG22 THR B 51 -15.379 -13.619 4.960 1.00 0.00 H new ATOM 0 HG23 THR B 51 -15.034 -12.057 4.180 1.00 0.00 H new TER 770 THR B 51