USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 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 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 18 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 21 ASN : amide:sc=-0.00157 X(o=-0.0016,f=-0.4) USER MOD Single : B 1 PHE N :NH3+ -165:sc= -1.39! (180deg=-1.76!) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : B 4 GLN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -7.45! C(o=-7.4!,f=-8.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -120:sc= -4.31! USER MOD Single : B 27 THR OG1 : rot 35:sc= -0.179 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -53:sc= 0.785 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.093 8.313 4.650 1.00 0.00 N ATOM 2 CA GLY A 1 -0.837 6.887 4.164 1.00 0.00 C ATOM 3 C GLY A 1 0.534 6.495 3.731 1.00 0.00 C ATOM 4 O GLY A 1 1.519 7.051 4.177 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.094 8.416 4.911 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.497 8.509 5.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.862 8.985 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.132 6.211 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.510 6.701 3.327 1.00 0.00 H new ATOM 10 N ILE A 2 0.638 5.542 2.846 1.00 0.00 N ATOM 11 CA ILE A 2 1.980 5.117 2.365 1.00 0.00 C ATOM 12 C ILE A 2 2.165 5.650 0.946 1.00 0.00 C ATOM 13 O ILE A 2 3.268 5.857 0.476 1.00 0.00 O ATOM 14 CB ILE A 2 2.071 3.581 2.397 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.530 3.162 2.603 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.550 2.979 1.089 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.409 3.824 1.542 1.00 0.00 C ATOM 0 H ILE A 2 -0.149 5.040 2.436 1.00 0.00 H new ATOM 0 HA ILE A 2 2.769 5.514 3.004 1.00 0.00 H new ATOM 0 HB ILE A 2 1.457 3.213 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.865 3.451 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.620 2.078 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.624 1.892 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.508 3.266 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.147 3.349 0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.446 3.525 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.080 3.513 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.328 4.908 1.627 1.00 0.00 H new ATOM 29 N VAL A 3 1.078 5.883 0.270 1.00 0.00 N ATOM 30 CA VAL A 3 1.145 6.414 -1.114 1.00 0.00 C ATOM 31 C VAL A 3 1.641 7.863 -1.068 1.00 0.00 C ATOM 32 O VAL A 3 2.224 8.360 -2.010 1.00 0.00 O ATOM 33 CB VAL A 3 -0.261 6.345 -1.726 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.415 7.388 -2.830 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.484 4.950 -2.315 1.00 0.00 C ATOM 0 H VAL A 3 0.134 5.726 0.623 1.00 0.00 H new ATOM 0 HA VAL A 3 1.833 5.828 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.996 6.546 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.418 7.325 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.258 8.383 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.321 7.201 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.481 4.894 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.261 4.758 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.391 4.203 -1.527 1.00 0.00 H new ATOM 45 N GLU A 4 1.415 8.544 0.021 1.00 0.00 N ATOM 46 CA GLU A 4 1.876 9.956 0.123 1.00 0.00 C ATOM 47 C GLU A 4 3.192 10.005 0.904 1.00 0.00 C ATOM 48 O GLU A 4 4.103 10.728 0.557 1.00 0.00 O ATOM 49 CB GLU A 4 0.817 10.784 0.853 1.00 0.00 C ATOM 50 CG GLU A 4 -0.499 10.722 0.075 1.00 0.00 C ATOM 51 CD GLU A 4 -1.396 11.888 0.495 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.447 12.175 1.680 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.019 12.474 -0.375 1.00 0.00 O ATOM 0 H GLU A 4 0.931 8.184 0.844 1.00 0.00 H new ATOM 0 HA GLU A 4 2.031 10.364 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.673 10.402 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.149 11.818 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.303 10.768 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.003 9.775 0.267 1.00 0.00 H new ATOM 60 N GLN A 5 3.299 9.242 1.954 1.00 0.00 N ATOM 61 CA GLN A 5 4.556 9.249 2.753 1.00 0.00 C ATOM 62 C GLN A 5 5.739 8.876 1.857 1.00 0.00 C ATOM 63 O GLN A 5 6.871 9.218 2.134 1.00 0.00 O ATOM 64 CB GLN A 5 4.441 8.231 3.884 1.00 0.00 C ATOM 65 CG GLN A 5 5.057 8.811 5.158 1.00 0.00 C ATOM 66 CD GLN A 5 5.030 7.756 6.265 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.147 7.756 7.100 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.968 6.850 6.310 1.00 0.00 N ATOM 0 H GLN A 5 2.571 8.614 2.294 1.00 0.00 H new ATOM 0 HA GLN A 5 4.715 10.245 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.394 7.979 4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.950 7.307 3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.083 9.127 4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.504 9.696 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.710 6.849 5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.959 6.143 7.045 1.00 0.00 H new ATOM 77 N CYS A 6 5.487 8.171 0.789 1.00 0.00 N ATOM 78 CA CYS A 6 6.601 7.772 -0.117 1.00 0.00 C ATOM 79 C CYS A 6 6.577 8.635 -1.377 1.00 0.00 C ATOM 80 O CYS A 6 7.601 8.932 -1.959 1.00 0.00 O ATOM 81 CB CYS A 6 6.439 6.304 -0.510 1.00 0.00 C ATOM 82 SG CYS A 6 6.939 5.244 0.871 1.00 0.00 S ATOM 0 H CYS A 6 4.560 7.854 0.505 1.00 0.00 H new ATOM 0 HA CYS A 6 7.550 7.912 0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.402 6.102 -0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.045 6.084 -1.388 1.00 0.00 H new ATOM 87 N CYS A 7 5.418 9.033 -1.804 1.00 0.00 N ATOM 88 CA CYS A 7 5.327 9.871 -3.035 1.00 0.00 C ATOM 89 C CYS A 7 5.419 11.351 -2.657 1.00 0.00 C ATOM 90 O CYS A 7 5.860 12.173 -3.434 1.00 0.00 O ATOM 91 CB CYS A 7 4.000 9.596 -3.745 1.00 0.00 C ATOM 92 SG CYS A 7 4.237 9.720 -5.535 1.00 0.00 S ATOM 0 H CYS A 7 4.527 8.817 -1.358 1.00 0.00 H new ATOM 0 HA CYS A 7 6.150 9.622 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.634 8.603 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.245 10.310 -3.417 1.00 0.00 H new ATOM 97 N THR A 8 5.018 11.695 -1.465 1.00 0.00 N ATOM 98 CA THR A 8 5.093 13.118 -1.033 1.00 0.00 C ATOM 99 C THR A 8 6.314 13.297 -0.132 1.00 0.00 C ATOM 100 O THR A 8 6.889 14.363 -0.041 1.00 0.00 O ATOM 101 CB THR A 8 3.822 13.487 -0.265 1.00 0.00 C ATOM 102 OG1 THR A 8 2.715 13.483 -1.156 1.00 0.00 O ATOM 103 CG2 THR A 8 3.975 14.878 0.354 1.00 0.00 C ATOM 0 H THR A 8 4.641 11.051 -0.770 1.00 0.00 H new ATOM 0 HA THR A 8 5.182 13.767 -1.904 1.00 0.00 H new ATOM 0 HB THR A 8 3.656 12.758 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.900 13.717 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.067 15.135 0.899 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.823 14.880 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.144 15.611 -0.435 1.00 0.00 H new ATOM 111 N SER A 9 6.717 12.248 0.526 1.00 0.00 N ATOM 112 CA SER A 9 7.905 12.334 1.420 1.00 0.00 C ATOM 113 C SER A 9 8.847 11.170 1.114 1.00 0.00 C ATOM 114 O SER A 9 8.798 10.581 0.052 1.00 0.00 O ATOM 115 CB SER A 9 7.458 12.256 2.879 1.00 0.00 C ATOM 116 OG SER A 9 7.815 13.461 3.544 1.00 0.00 O ATOM 0 H SER A 9 6.273 11.331 0.483 1.00 0.00 H new ATOM 0 HA SER A 9 8.420 13.280 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.380 12.102 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.927 11.403 3.370 1.00 0.00 H new ATOM 0 HG SER A 9 7.528 13.415 4.480 1.00 0.00 H new ATOM 122 N ILE A 10 9.706 10.833 2.035 1.00 0.00 N ATOM 123 CA ILE A 10 10.651 9.706 1.792 1.00 0.00 C ATOM 124 C ILE A 10 10.372 8.580 2.788 1.00 0.00 C ATOM 125 O ILE A 10 9.928 8.809 3.895 1.00 0.00 O ATOM 126 CB ILE A 10 12.095 10.192 1.978 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.498 11.116 0.822 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.034 8.991 2.010 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.838 12.480 1.008 1.00 0.00 C ATOM 0 H ILE A 10 9.795 11.288 2.944 1.00 0.00 H new ATOM 0 HA ILE A 10 10.516 9.340 0.774 1.00 0.00 H new ATOM 0 HB ILE A 10 12.163 10.743 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.582 11.226 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.194 10.680 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.060 9.335 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.761 8.337 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.953 8.441 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.124 13.137 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.754 12.362 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.164 12.916 1.952 1.00 0.00 H new ATOM 141 N CYS A 11 10.643 7.363 2.403 1.00 0.00 N ATOM 142 CA CYS A 11 10.409 6.217 3.328 1.00 0.00 C ATOM 143 C CYS A 11 11.649 5.322 3.340 1.00 0.00 C ATOM 144 O CYS A 11 12.206 5.005 2.309 1.00 0.00 O ATOM 145 CB CYS A 11 9.193 5.396 2.873 1.00 0.00 C ATOM 146 SG CYS A 11 8.913 5.604 1.094 1.00 0.00 S ATOM 0 H CYS A 11 11.017 7.112 1.488 1.00 0.00 H new ATOM 0 HA CYS A 11 10.215 6.604 4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.353 4.342 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.308 5.711 3.425 1.00 0.00 H new ATOM 151 N SER A 12 12.088 4.914 4.500 1.00 0.00 N ATOM 152 CA SER A 12 13.294 4.042 4.570 1.00 0.00 C ATOM 153 C SER A 12 12.900 2.601 4.245 1.00 0.00 C ATOM 154 O SER A 12 11.829 2.146 4.595 1.00 0.00 O ATOM 155 CB SER A 12 13.885 4.102 5.979 1.00 0.00 C ATOM 156 OG SER A 12 12.964 3.532 6.900 1.00 0.00 O ATOM 0 H SER A 12 11.665 5.146 5.399 1.00 0.00 H new ATOM 0 HA SER A 12 14.035 4.388 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.831 3.562 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.098 5.135 6.253 1.00 0.00 H new ATOM 0 HG SER A 12 13.341 3.568 7.804 1.00 0.00 H new ATOM 162 N LEU A 13 13.757 1.878 3.577 1.00 0.00 N ATOM 163 CA LEU A 13 13.427 0.468 3.231 1.00 0.00 C ATOM 164 C LEU A 13 12.829 -0.228 4.456 1.00 0.00 C ATOM 165 O LEU A 13 11.858 -0.951 4.358 1.00 0.00 O ATOM 166 CB LEU A 13 14.701 -0.263 2.799 1.00 0.00 C ATOM 167 CG LEU A 13 14.901 -0.099 1.292 1.00 0.00 C ATOM 168 CD1 LEU A 13 15.039 1.386 0.950 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.171 -0.838 0.863 1.00 0.00 C ATOM 0 H LEU A 13 14.669 2.203 3.257 1.00 0.00 H new ATOM 0 HA LEU A 13 12.705 0.452 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.561 0.137 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.630 -1.320 3.054 1.00 0.00 H new ATOM 0 HG LEU A 13 14.041 -0.514 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.181 1.500 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.136 1.915 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.898 1.802 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.314 -0.722 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.030 -0.423 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.075 -1.897 1.104 1.00 0.00 H new ATOM 181 N TYR A 14 13.398 -0.009 5.611 1.00 0.00 N ATOM 182 CA TYR A 14 12.857 -0.655 6.839 1.00 0.00 C ATOM 183 C TYR A 14 11.358 -0.379 6.931 1.00 0.00 C ATOM 184 O TYR A 14 10.557 -1.285 7.044 1.00 0.00 O ATOM 185 CB TYR A 14 13.556 -0.080 8.073 1.00 0.00 C ATOM 186 CG TYR A 14 13.188 -0.902 9.284 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.353 -2.294 9.261 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.679 -0.276 10.429 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.009 -3.059 10.383 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.335 -1.042 11.552 1.00 0.00 C ATOM 191 CZ TYR A 14 12.500 -2.434 11.529 1.00 0.00 C ATOM 192 OH TYR A 14 12.161 -3.188 12.632 1.00 0.00 O ATOM 0 H TYR A 14 14.212 0.588 5.756 1.00 0.00 H new ATOM 0 HA TYR A 14 13.032 -1.730 6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.636 -0.087 7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.261 0.959 8.221 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.745 -2.777 8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.552 0.796 10.447 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.136 -4.131 10.365 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.943 -0.559 12.435 1.00 0.00 H new ATOM 0 HH TYR A 14 11.825 -2.599 13.340 1.00 0.00 H new ATOM 202 N GLN A 15 10.971 0.865 6.877 1.00 0.00 N ATOM 203 CA GLN A 15 9.522 1.193 6.957 1.00 0.00 C ATOM 204 C GLN A 15 8.809 0.603 5.739 1.00 0.00 C ATOM 205 O GLN A 15 7.663 0.207 5.808 1.00 0.00 O ATOM 206 CB GLN A 15 9.338 2.712 6.968 1.00 0.00 C ATOM 207 CG GLN A 15 9.810 3.275 8.309 1.00 0.00 C ATOM 208 CD GLN A 15 8.653 3.248 9.309 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.712 4.008 9.187 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.680 2.399 10.299 1.00 0.00 N ATOM 0 H GLN A 15 11.595 1.667 6.781 1.00 0.00 H new ATOM 0 HA GLN A 15 9.102 0.774 7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.904 3.163 6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.290 2.963 6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.646 2.687 8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.170 4.296 8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.469 1.761 10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.912 2.373 10.970 1.00 0.00 H new ATOM 219 N LEU A 16 9.486 0.539 4.626 1.00 0.00 N ATOM 220 CA LEU A 16 8.858 -0.028 3.402 1.00 0.00 C ATOM 221 C LEU A 16 8.705 -1.540 3.567 1.00 0.00 C ATOM 222 O LEU A 16 7.884 -2.166 2.927 1.00 0.00 O ATOM 223 CB LEU A 16 9.748 0.272 2.192 1.00 0.00 C ATOM 224 CG LEU A 16 8.882 0.742 1.023 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.207 2.201 0.699 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.170 -0.127 -0.204 1.00 0.00 C ATOM 0 H LEU A 16 10.449 0.856 4.512 1.00 0.00 H new ATOM 0 HA LEU A 16 7.876 0.420 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.480 1.039 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.307 -0.620 1.908 1.00 0.00 H new ATOM 0 HG LEU A 16 7.830 0.656 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.589 2.535 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.005 2.821 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.259 2.288 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.554 0.206 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.223 -0.040 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.939 -1.167 0.025 1.00 0.00 H new ATOM 238 N GLU A 17 9.487 -2.130 4.426 1.00 0.00 N ATOM 239 CA GLU A 17 9.383 -3.600 4.637 1.00 0.00 C ATOM 240 C GLU A 17 8.194 -3.894 5.548 1.00 0.00 C ATOM 241 O GLU A 17 7.698 -5.001 5.604 1.00 0.00 O ATOM 242 CB GLU A 17 10.666 -4.124 5.283 1.00 0.00 C ATOM 243 CG GLU A 17 11.810 -4.057 4.273 1.00 0.00 C ATOM 244 CD GLU A 17 13.049 -4.735 4.860 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.518 -4.279 5.889 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.507 -5.701 4.271 1.00 0.00 O ATOM 0 H GLU A 17 10.193 -1.658 4.991 1.00 0.00 H new ATOM 0 HA GLU A 17 9.241 -4.095 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.910 -3.531 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.523 -5.151 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.519 -4.548 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.032 -3.018 4.028 1.00 0.00 H new ATOM 253 N ASN A 18 7.719 -2.902 6.245 1.00 0.00 N ATOM 254 CA ASN A 18 6.546 -3.111 7.132 1.00 0.00 C ATOM 255 C ASN A 18 5.288 -3.200 6.266 1.00 0.00 C ATOM 256 O ASN A 18 4.189 -3.359 6.760 1.00 0.00 O ATOM 257 CB ASN A 18 6.417 -1.924 8.088 1.00 0.00 C ATOM 258 CG ASN A 18 7.006 -2.293 9.450 1.00 0.00 C ATOM 259 OD1 ASN A 18 6.914 -3.427 9.879 1.00 0.00 O ATOM 260 ND2 ASN A 18 7.611 -1.377 10.154 1.00 0.00 N ATOM 0 H ASN A 18 8.094 -1.954 6.238 1.00 0.00 H new ATOM 0 HA ASN A 18 6.671 -4.028 7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.936 -1.057 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.369 -1.645 8.198 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.007 -1.612 11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.688 -0.426 9.794 1.00 0.00 H new ATOM 267 N TYR A 19 5.443 -3.085 4.974 1.00 0.00 N ATOM 268 CA TYR A 19 4.272 -3.145 4.066 1.00 0.00 C ATOM 269 C TYR A 19 4.254 -4.494 3.341 1.00 0.00 C ATOM 270 O TYR A 19 3.343 -4.798 2.596 1.00 0.00 O ATOM 271 CB TYR A 19 4.394 -2.008 3.054 1.00 0.00 C ATOM 272 CG TYR A 19 4.271 -0.688 3.785 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.006 -0.133 4.033 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.425 -0.022 4.227 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.899 1.085 4.719 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.314 1.194 4.912 1.00 0.00 C ATOM 277 CZ TYR A 19 4.052 1.748 5.158 1.00 0.00 C ATOM 278 OH TYR A 19 3.945 2.946 5.834 1.00 0.00 O ATOM 0 H TYR A 19 6.341 -2.951 4.509 1.00 0.00 H new ATOM 0 HA TYR A 19 3.346 -3.042 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.352 -2.065 2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.616 -2.093 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.116 -0.644 3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.399 -0.448 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.926 1.513 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.203 1.705 5.251 1.00 0.00 H new ATOM 0 HH TYR A 19 4.840 3.271 6.068 1.00 0.00 H new ATOM 288 N CYS A 20 5.256 -5.304 3.554 1.00 0.00 N ATOM 289 CA CYS A 20 5.292 -6.629 2.879 1.00 0.00 C ATOM 290 C CYS A 20 4.433 -7.623 3.662 1.00 0.00 C ATOM 291 O CYS A 20 3.675 -7.252 4.535 1.00 0.00 O ATOM 292 CB CYS A 20 6.733 -7.139 2.824 1.00 0.00 C ATOM 293 SG CYS A 20 7.856 -5.773 2.441 1.00 0.00 S ATOM 0 H CYS A 20 6.048 -5.104 4.165 1.00 0.00 H new ATOM 0 HA CYS A 20 4.904 -6.528 1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.006 -7.588 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.823 -7.919 2.068 1.00 0.00 H new ATOM 298 N ASN A 21 4.547 -8.888 3.357 1.00 0.00 N ATOM 299 CA ASN A 21 3.738 -9.906 4.085 1.00 0.00 C ATOM 300 C ASN A 21 4.673 -10.878 4.807 1.00 0.00 C ATOM 301 O ASN A 21 5.248 -11.721 4.139 1.00 0.00 O ATOM 302 CB ASN A 21 2.870 -10.677 3.088 1.00 0.00 C ATOM 303 CG ASN A 21 1.410 -10.250 3.245 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.958 -9.335 2.587 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.647 -10.881 4.096 1.00 0.00 N ATOM 306 OXT ASN A 21 4.799 -10.762 6.015 1.00 0.00 O ATOM 0 H ASN A 21 5.165 -9.259 2.636 1.00 0.00 H new ATOM 0 HA ASN A 21 3.098 -9.409 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.209 -10.484 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.967 -11.749 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.329 -10.605 4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.027 -11.650 4.649 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 16.038 2.965 -1.674 1.00 0.00 N ATOM 315 CA PHE B 1 17.359 2.423 -1.242 1.00 0.00 C ATOM 316 C PHE B 1 18.035 3.420 -0.297 1.00 0.00 C ATOM 317 O PHE B 1 18.507 3.061 0.763 1.00 0.00 O ATOM 318 CB PHE B 1 18.246 2.202 -2.470 1.00 0.00 C ATOM 319 CG PHE B 1 17.461 1.475 -3.536 1.00 0.00 C ATOM 320 CD1 PHE B 1 17.243 0.095 -3.426 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.953 2.179 -4.634 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.517 -0.580 -4.416 1.00 0.00 C ATOM 323 CE2 PHE B 1 16.226 1.504 -5.624 1.00 0.00 C ATOM 324 CZ PHE B 1 16.008 0.124 -5.515 1.00 0.00 C ATOM 0 H1 PHE B 1 15.472 2.203 -2.099 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.535 3.351 -0.850 1.00 0.00 H new ATOM 0 H3 PHE B 1 16.185 3.719 -2.375 1.00 0.00 H new ATOM 0 HA PHE B 1 17.211 1.475 -0.725 1.00 0.00 H new ATOM 0 HB2 PHE B 1 18.599 3.159 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE B 1 19.128 1.624 -2.195 1.00 0.00 H new ATOM 0 HD1 PHE B 1 17.634 -0.448 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE B 1 17.121 3.242 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE B 1 16.350 -1.644 -4.332 1.00 0.00 H new ATOM 0 HE2 PHE B 1 15.834 2.047 -6.471 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.448 -0.396 -6.278 1.00 0.00 H new ATOM 336 N VAL B 2 18.085 4.669 -0.672 1.00 0.00 N ATOM 337 CA VAL B 2 18.732 5.683 0.206 1.00 0.00 C ATOM 338 C VAL B 2 17.805 6.890 0.364 1.00 0.00 C ATOM 339 O VAL B 2 18.057 7.953 -0.168 1.00 0.00 O ATOM 340 CB VAL B 2 20.053 6.132 -0.421 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.075 4.998 -0.319 1.00 0.00 C ATOM 342 CG2 VAL B 2 19.824 6.483 -1.893 1.00 0.00 C ATOM 0 H VAL B 2 17.706 5.030 -1.547 1.00 0.00 H new ATOM 0 HA VAL B 2 18.925 5.244 1.185 1.00 0.00 H new ATOM 0 HB VAL B 2 20.429 7.008 0.107 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.017 5.316 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.237 4.747 0.729 1.00 0.00 H new ATOM 0 HG13 VAL B 2 20.700 4.122 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL B 2 20.765 6.803 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL B 2 19.450 5.607 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL B 2 19.094 7.290 -1.965 1.00 0.00 H new ATOM 352 N ASN B 3 16.733 6.733 1.091 1.00 0.00 N ATOM 353 CA ASN B 3 15.787 7.868 1.285 1.00 0.00 C ATOM 354 C ASN B 3 15.371 8.426 -0.074 1.00 0.00 C ATOM 355 O ASN B 3 16.112 9.136 -0.724 1.00 0.00 O ATOM 356 CB ASN B 3 16.463 8.967 2.107 1.00 0.00 C ATOM 357 CG ASN B 3 17.092 8.354 3.359 1.00 0.00 C ATOM 358 OD1 ASN B 3 16.464 7.577 4.051 1.00 0.00 O ATOM 359 ND2 ASN B 3 18.315 8.674 3.684 1.00 0.00 N ATOM 0 H ASN B 3 16.471 5.866 1.560 1.00 0.00 H new ATOM 0 HA ASN B 3 14.903 7.514 1.816 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.227 9.465 1.510 1.00 0.00 H new ATOM 0 HB3 ASN B 3 15.733 9.726 2.388 1.00 0.00 H new ATOM 0 HD21 ASN B 3 18.743 8.272 4.518 1.00 0.00 H new ATOM 0 HD22 ASN B 3 18.843 9.326 3.104 1.00 0.00 H new ATOM 366 N GLN B 4 14.189 8.094 -0.508 1.00 0.00 N ATOM 367 CA GLN B 4 13.712 8.580 -1.824 1.00 0.00 C ATOM 368 C GLN B 4 12.181 8.638 -1.825 1.00 0.00 C ATOM 369 O GLN B 4 11.529 8.129 -0.931 1.00 0.00 O ATOM 370 CB GLN B 4 14.189 7.592 -2.880 1.00 0.00 C ATOM 371 CG GLN B 4 13.421 7.800 -4.189 1.00 0.00 C ATOM 372 CD GLN B 4 13.990 6.875 -5.265 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.250 6.221 -5.973 1.00 0.00 O ATOM 374 NE2 GLN B 4 15.284 6.790 -5.418 1.00 0.00 N ATOM 0 H GLN B 4 13.530 7.502 -0.001 1.00 0.00 H new ATOM 0 HA GLN B 4 14.099 9.578 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.257 7.722 -3.053 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.045 6.572 -2.524 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.362 7.592 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.500 8.839 -4.508 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.905 7.339 -4.824 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.674 6.175 -6.132 1.00 0.00 H new ATOM 383 N HIS B 5 11.603 9.248 -2.825 1.00 0.00 N ATOM 384 CA HIS B 5 10.117 9.334 -2.892 1.00 0.00 C ATOM 385 C HIS B 5 9.589 8.214 -3.795 1.00 0.00 C ATOM 386 O HIS B 5 9.860 8.181 -4.978 1.00 0.00 O ATOM 387 CB HIS B 5 9.705 10.687 -3.480 1.00 0.00 C ATOM 388 CG HIS B 5 10.315 11.803 -2.676 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.555 12.567 -1.816 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.596 12.278 -2.622 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.382 13.472 -1.273 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.641 13.334 -1.735 1.00 0.00 N ATOM 0 H HIS B 5 12.098 9.691 -3.599 1.00 0.00 H new ATOM 0 HA HIS B 5 9.702 9.232 -1.889 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.030 10.756 -4.518 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.619 10.778 -3.479 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.558 12.464 -1.629 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.435 11.890 -3.181 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.077 14.219 -0.555 1.00 0.00 H new ATOM 400 N LEU B 6 8.834 7.301 -3.250 1.00 0.00 N ATOM 401 CA LEU B 6 8.288 6.192 -4.082 1.00 0.00 C ATOM 402 C LEU B 6 6.831 6.502 -4.442 1.00 0.00 C ATOM 403 O LEU B 6 6.313 7.549 -4.110 1.00 0.00 O ATOM 404 CB LEU B 6 8.362 4.879 -3.297 1.00 0.00 C ATOM 405 CG LEU B 6 9.649 4.132 -3.657 1.00 0.00 C ATOM 406 CD1 LEU B 6 10.831 5.106 -3.671 1.00 0.00 C ATOM 407 CD2 LEU B 6 9.909 3.039 -2.618 1.00 0.00 C ATOM 0 H LEU B 6 8.571 7.275 -2.265 1.00 0.00 H new ATOM 0 HA LEU B 6 8.874 6.094 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.336 5.083 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.495 4.259 -3.525 1.00 0.00 H new ATOM 0 HG LEU B 6 9.539 3.685 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU B 6 11.743 4.567 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU B 6 10.650 5.887 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.942 5.558 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU B 6 10.825 2.506 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.015 3.492 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.073 2.340 -2.608 1.00 0.00 H new ATOM 419 N CYS B 7 6.167 5.604 -5.120 1.00 0.00 N ATOM 420 CA CYS B 7 4.746 5.861 -5.495 1.00 0.00 C ATOM 421 C CYS B 7 4.105 4.569 -6.001 1.00 0.00 C ATOM 422 O CYS B 7 4.789 3.609 -6.288 1.00 0.00 O ATOM 423 CB CYS B 7 4.690 6.918 -6.601 1.00 0.00 C ATOM 424 SG CYS B 7 3.332 8.068 -6.270 1.00 0.00 S ATOM 0 H CYS B 7 6.545 4.708 -5.429 1.00 0.00 H new ATOM 0 HA CYS B 7 4.204 6.218 -4.619 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.635 7.459 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.547 6.439 -7.570 1.00 0.00 H new ATOM 429 N GLY B 8 2.793 4.561 -6.100 1.00 0.00 N ATOM 430 CA GLY B 8 2.024 3.363 -6.581 1.00 0.00 C ATOM 431 C GLY B 8 2.949 2.234 -7.044 1.00 0.00 C ATOM 432 O GLY B 8 3.250 1.321 -6.301 1.00 0.00 O ATOM 0 H GLY B 8 2.206 5.360 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.381 2.999 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.372 3.657 -7.403 1.00 0.00 H new ATOM 436 N SER B 9 3.398 2.286 -8.267 1.00 0.00 N ATOM 437 CA SER B 9 4.297 1.210 -8.775 1.00 0.00 C ATOM 438 C SER B 9 5.623 1.248 -8.017 1.00 0.00 C ATOM 439 O SER B 9 6.010 0.282 -7.396 1.00 0.00 O ATOM 440 CB SER B 9 4.552 1.420 -10.267 1.00 0.00 C ATOM 441 OG SER B 9 5.247 0.294 -10.788 1.00 0.00 O ATOM 0 H SER B 9 3.182 3.025 -8.936 1.00 0.00 H new ATOM 0 HA SER B 9 3.823 0.240 -8.622 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.607 1.554 -10.794 1.00 0.00 H new ATOM 0 HB3 SER B 9 5.136 2.327 -10.424 1.00 0.00 H new ATOM 0 HG SER B 9 5.411 0.425 -11.745 1.00 0.00 H new ATOM 447 N ASP B 10 6.323 2.353 -8.054 1.00 0.00 N ATOM 448 CA ASP B 10 7.621 2.432 -7.321 1.00 0.00 C ATOM 449 C ASP B 10 7.444 1.802 -5.942 1.00 0.00 C ATOM 450 O ASP B 10 8.340 1.176 -5.412 1.00 0.00 O ATOM 451 CB ASP B 10 8.037 3.897 -7.163 1.00 0.00 C ATOM 452 CG ASP B 10 8.959 4.295 -8.316 1.00 0.00 C ATOM 453 OD1 ASP B 10 9.005 3.564 -9.292 1.00 0.00 O ATOM 454 OD2 ASP B 10 9.606 5.323 -8.205 1.00 0.00 O ATOM 0 H ASP B 10 6.054 3.199 -8.557 1.00 0.00 H new ATOM 0 HA ASP B 10 8.393 1.901 -7.878 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.155 4.537 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.547 4.040 -6.210 1.00 0.00 H new ATOM 459 N LEU B 11 6.282 1.942 -5.366 1.00 0.00 N ATOM 460 CA LEU B 11 6.037 1.330 -4.035 1.00 0.00 C ATOM 461 C LEU B 11 5.976 -0.183 -4.216 1.00 0.00 C ATOM 462 O LEU B 11 6.661 -0.927 -3.544 1.00 0.00 O ATOM 463 CB LEU B 11 4.713 1.844 -3.468 1.00 0.00 C ATOM 464 CG LEU B 11 4.939 3.207 -2.812 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.589 3.843 -2.478 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.749 3.026 -1.527 1.00 0.00 C ATOM 0 H LEU B 11 5.493 2.454 -5.761 1.00 0.00 H new ATOM 0 HA LEU B 11 6.835 1.593 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.972 1.929 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.318 1.137 -2.738 1.00 0.00 H new ATOM 0 HG LEU B 11 5.485 3.854 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.750 4.814 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.011 3.972 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.042 3.196 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.911 3.997 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.203 2.379 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.712 2.573 -1.764 1.00 0.00 H new ATOM 478 N VAL B 12 5.183 -0.642 -5.147 1.00 0.00 N ATOM 479 CA VAL B 12 5.106 -2.104 -5.403 1.00 0.00 C ATOM 480 C VAL B 12 6.446 -2.541 -6.003 1.00 0.00 C ATOM 481 O VAL B 12 6.799 -3.703 -6.004 1.00 0.00 O ATOM 482 CB VAL B 12 3.940 -2.412 -6.371 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.898 -1.297 -6.317 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.441 -2.552 -7.815 1.00 0.00 C ATOM 0 H VAL B 12 4.586 -0.065 -5.740 1.00 0.00 H new ATOM 0 HA VAL B 12 4.917 -2.650 -4.479 1.00 0.00 H new ATOM 0 HB VAL B 12 3.492 -3.355 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.083 -1.527 -7.003 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.506 -1.214 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.360 -0.353 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.599 -2.768 -8.473 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.916 -1.622 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.164 -3.365 -7.872 1.00 0.00 H new ATOM 494 N GLU B 13 7.193 -1.594 -6.505 1.00 0.00 N ATOM 495 CA GLU B 13 8.514 -1.900 -7.102 1.00 0.00 C ATOM 496 C GLU B 13 9.539 -1.957 -5.975 1.00 0.00 C ATOM 497 O GLU B 13 10.233 -2.939 -5.801 1.00 0.00 O ATOM 498 CB GLU B 13 8.870 -0.792 -8.091 1.00 0.00 C ATOM 499 CG GLU B 13 8.694 -1.311 -9.518 1.00 0.00 C ATOM 500 CD GLU B 13 9.125 -0.231 -10.512 1.00 0.00 C ATOM 501 OE1 GLU B 13 8.749 0.913 -10.315 1.00 0.00 O ATOM 502 OE2 GLU B 13 9.825 -0.566 -11.454 1.00 0.00 O ATOM 0 H GLU B 13 6.934 -0.608 -6.524 1.00 0.00 H new ATOM 0 HA GLU B 13 8.499 -2.854 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.232 0.076 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.898 -0.466 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.289 -2.213 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.653 -1.584 -9.691 1.00 0.00 H new ATOM 509 N ALA B 14 9.612 -0.927 -5.179 1.00 0.00 N ATOM 510 CA ALA B 14 10.560 -0.958 -4.038 1.00 0.00 C ATOM 511 C ALA B 14 10.132 -2.115 -3.144 1.00 0.00 C ATOM 512 O ALA B 14 10.911 -2.983 -2.810 1.00 0.00 O ATOM 513 CB ALA B 14 10.481 0.359 -3.262 1.00 0.00 C ATOM 0 H ALA B 14 9.061 -0.074 -5.270 1.00 0.00 H new ATOM 0 HA ALA B 14 11.587 -1.087 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.179 0.331 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.740 1.187 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.468 0.499 -2.885 1.00 0.00 H new ATOM 519 N LEU B 15 8.872 -2.148 -2.791 1.00 0.00 N ATOM 520 CA LEU B 15 8.347 -3.255 -1.960 1.00 0.00 C ATOM 521 C LEU B 15 8.673 -4.573 -2.660 1.00 0.00 C ATOM 522 O LEU B 15 9.033 -5.556 -2.042 1.00 0.00 O ATOM 523 CB LEU B 15 6.829 -3.099 -1.861 1.00 0.00 C ATOM 524 CG LEU B 15 6.483 -1.960 -0.902 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.119 -1.377 -1.275 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.430 -2.495 0.530 1.00 0.00 C ATOM 0 H LEU B 15 8.182 -1.443 -3.050 1.00 0.00 H new ATOM 0 HA LEU B 15 8.790 -3.241 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.411 -2.895 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.381 -4.029 -1.511 1.00 0.00 H new ATOM 0 HG LEU B 15 7.245 -1.183 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.871 -0.565 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.153 -0.995 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.359 -2.155 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU B 15 6.183 -1.682 1.213 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.669 -3.272 0.600 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.400 -2.913 0.799 1.00 0.00 H new ATOM 538 N TYR B 16 8.543 -4.582 -3.957 1.00 0.00 N ATOM 539 CA TYR B 16 8.831 -5.807 -4.752 1.00 0.00 C ATOM 540 C TYR B 16 10.152 -6.434 -4.309 1.00 0.00 C ATOM 541 O TYR B 16 10.230 -7.614 -4.031 1.00 0.00 O ATOM 542 CB TYR B 16 8.950 -5.413 -6.222 1.00 0.00 C ATOM 543 CG TYR B 16 7.918 -6.153 -7.035 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.815 -7.546 -6.933 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.062 -5.447 -7.891 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.857 -8.234 -7.688 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.104 -6.136 -8.647 1.00 0.00 C ATOM 548 CZ TYR B 16 6.001 -7.530 -8.544 1.00 0.00 C ATOM 549 OH TYR B 16 5.057 -8.208 -9.288 1.00 0.00 O ATOM 0 H TYR B 16 8.244 -3.778 -4.509 1.00 0.00 H new ATOM 0 HA TYR B 16 8.027 -6.527 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.810 -4.338 -6.332 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.950 -5.644 -6.590 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.474 -8.089 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.141 -4.373 -7.968 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.778 -9.308 -7.610 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.445 -5.593 -9.309 1.00 0.00 H new ATOM 0 HH TYR B 16 4.546 -7.570 -9.828 1.00 0.00 H new ATOM 559 N LEU B 17 11.197 -5.659 -4.274 1.00 0.00 N ATOM 560 CA LEU B 17 12.525 -6.209 -3.886 1.00 0.00 C ATOM 561 C LEU B 17 12.623 -6.357 -2.364 1.00 0.00 C ATOM 562 O LEU B 17 12.911 -7.424 -1.859 1.00 0.00 O ATOM 563 CB LEU B 17 13.613 -5.258 -4.385 1.00 0.00 C ATOM 564 CG LEU B 17 14.854 -6.053 -4.796 1.00 0.00 C ATOM 565 CD1 LEU B 17 14.463 -7.145 -5.794 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.861 -5.108 -5.452 1.00 0.00 C ATOM 0 H LEU B 17 11.190 -4.664 -4.498 1.00 0.00 H new ATOM 0 HA LEU B 17 12.653 -7.195 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.243 -4.682 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.871 -4.544 -3.602 1.00 0.00 H new ATOM 0 HG LEU B 17 15.297 -6.514 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU B 17 15.350 -7.708 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.741 -7.818 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.019 -6.688 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.748 -5.669 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.411 -4.651 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU B 17 16.144 -4.329 -4.744 1.00 0.00 H new ATOM 578 N VAL B 18 12.400 -5.305 -1.625 1.00 0.00 N ATOM 579 CA VAL B 18 12.498 -5.418 -0.139 1.00 0.00 C ATOM 580 C VAL B 18 11.576 -6.534 0.349 1.00 0.00 C ATOM 581 O VAL B 18 11.887 -7.251 1.280 1.00 0.00 O ATOM 582 CB VAL B 18 12.093 -4.099 0.520 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.307 -3.173 0.599 1.00 0.00 C ATOM 584 CG2 VAL B 18 10.996 -3.427 -0.304 1.00 0.00 C ATOM 0 H VAL B 18 12.156 -4.380 -1.980 1.00 0.00 H new ATOM 0 HA VAL B 18 13.529 -5.647 0.131 1.00 0.00 H new ATOM 0 HB VAL B 18 11.720 -4.299 1.525 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.018 -2.233 1.069 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.089 -3.649 1.190 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.681 -2.976 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.710 -2.487 0.169 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.366 -3.229 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.128 -4.084 -0.359 1.00 0.00 H new ATOM 594 N CYS B 19 10.449 -6.699 -0.285 1.00 0.00 N ATOM 595 CA CYS B 19 9.509 -7.777 0.124 1.00 0.00 C ATOM 596 C CYS B 19 9.831 -9.019 -0.700 1.00 0.00 C ATOM 597 O CYS B 19 10.052 -10.094 -0.178 1.00 0.00 O ATOM 598 CB CYS B 19 8.073 -7.336 -0.159 1.00 0.00 C ATOM 599 SG CYS B 19 7.830 -5.639 0.425 1.00 0.00 S ATOM 0 H CYS B 19 10.138 -6.130 -1.073 1.00 0.00 H new ATOM 0 HA CYS B 19 9.612 -7.988 1.188 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.868 -7.396 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.372 -8.006 0.338 1.00 0.00 H new ATOM 604 N GLY B 20 9.878 -8.863 -1.991 1.00 0.00 N ATOM 605 CA GLY B 20 10.203 -10.008 -2.879 1.00 0.00 C ATOM 606 C GLY B 20 9.460 -11.266 -2.421 1.00 0.00 C ATOM 607 O GLY B 20 8.250 -11.283 -2.317 1.00 0.00 O ATOM 0 H GLY B 20 9.703 -7.981 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.928 -9.769 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.278 -10.189 -2.871 1.00 0.00 H new ATOM 611 N GLU B 21 10.181 -12.324 -2.160 1.00 0.00 N ATOM 612 CA GLU B 21 9.528 -13.590 -1.724 1.00 0.00 C ATOM 613 C GLU B 21 8.627 -13.332 -0.516 1.00 0.00 C ATOM 614 O GLU B 21 7.747 -14.112 -0.211 1.00 0.00 O ATOM 615 CB GLU B 21 10.601 -14.613 -1.347 1.00 0.00 C ATOM 616 CG GLU B 21 10.503 -15.825 -2.276 1.00 0.00 C ATOM 617 CD GLU B 21 11.041 -17.063 -1.558 1.00 0.00 C ATOM 618 OE1 GLU B 21 11.613 -16.903 -0.492 1.00 0.00 O ATOM 619 OE2 GLU B 21 10.874 -18.150 -2.086 1.00 0.00 O ATOM 0 H GLU B 21 11.198 -12.365 -2.231 1.00 0.00 H new ATOM 0 HA GLU B 21 8.921 -13.975 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.590 -14.162 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.472 -14.925 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.467 -15.986 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.072 -15.644 -3.188 1.00 0.00 H new ATOM 626 N ARG B 22 8.835 -12.249 0.177 1.00 0.00 N ATOM 627 CA ARG B 22 7.981 -11.956 1.362 1.00 0.00 C ATOM 628 C ARG B 22 6.587 -11.534 0.893 1.00 0.00 C ATOM 629 O ARG B 22 5.681 -11.370 1.685 1.00 0.00 O ATOM 630 CB ARG B 22 8.607 -10.830 2.187 1.00 0.00 C ATOM 631 CG ARG B 22 9.869 -11.345 2.883 1.00 0.00 C ATOM 632 CD ARG B 22 11.006 -10.340 2.690 1.00 0.00 C ATOM 633 NE ARG B 22 11.801 -10.243 3.947 1.00 0.00 N ATOM 634 CZ ARG B 22 12.976 -9.674 3.937 1.00 0.00 C ATOM 635 NH1 ARG B 22 13.384 -9.032 2.875 1.00 0.00 N ATOM 636 NH2 ARG B 22 13.744 -9.745 4.990 1.00 0.00 N ATOM 0 H ARG B 22 9.556 -11.556 -0.024 1.00 0.00 H new ATOM 0 HA ARG B 22 7.903 -12.851 1.980 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.854 -9.987 1.542 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.893 -10.468 2.927 1.00 0.00 H new ATOM 0 HG2 ARG B 22 9.676 -11.492 3.946 1.00 0.00 H new ATOM 0 HG3 ARG B 22 10.153 -12.314 2.473 1.00 0.00 H new ATOM 0 HD2 ARG B 22 11.646 -10.653 1.865 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.601 -9.363 2.427 1.00 0.00 H new ATOM 0 HE ARG B 22 11.426 -10.622 4.817 1.00 0.00 H new ATOM 0 HH11 ARG B 22 12.784 -8.975 2.052 1.00 0.00 H new ATOM 0 HH12 ARG B 22 14.302 -8.588 2.869 1.00 0.00 H new ATOM 0 HH21 ARG B 22 13.426 -10.245 5.820 1.00 0.00 H new ATOM 0 HH22 ARG B 22 14.662 -9.301 4.983 1.00 0.00 H new ATOM 650 N GLY B 23 6.407 -11.357 -0.389 1.00 0.00 N ATOM 651 CA GLY B 23 5.071 -10.946 -0.905 1.00 0.00 C ATOM 652 C GLY B 23 4.682 -9.597 -0.299 1.00 0.00 C ATOM 653 O GLY B 23 4.679 -9.424 0.904 1.00 0.00 O ATOM 0 H GLY B 23 7.128 -11.480 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY B 23 5.096 -10.874 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.325 -11.699 -0.652 1.00 0.00 H new ATOM 657 N PHE B 24 4.356 -8.636 -1.119 1.00 0.00 N ATOM 658 CA PHE B 24 3.972 -7.302 -0.580 1.00 0.00 C ATOM 659 C PHE B 24 2.565 -6.941 -1.057 1.00 0.00 C ATOM 660 O PHE B 24 2.125 -7.366 -2.106 1.00 0.00 O ATOM 661 CB PHE B 24 4.970 -6.249 -1.063 1.00 0.00 C ATOM 662 CG PHE B 24 4.741 -5.959 -2.528 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.687 -5.121 -2.919 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.582 -6.525 -3.493 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.475 -4.852 -4.278 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.370 -6.255 -4.852 1.00 0.00 C ATOM 667 CZ PHE B 24 4.316 -5.419 -5.244 1.00 0.00 C ATOM 0 H PHE B 24 4.339 -8.717 -2.136 1.00 0.00 H new ATOM 0 HA PHE B 24 3.983 -7.334 0.509 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.858 -5.335 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.989 -6.603 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE B 24 3.039 -4.683 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.394 -7.170 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.663 -4.207 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.019 -6.691 -5.597 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.152 -5.212 -6.291 1.00 0.00 H new ATOM 677 N PHE B 25 1.853 -6.159 -0.290 1.00 0.00 N ATOM 678 CA PHE B 25 0.473 -5.774 -0.700 1.00 0.00 C ATOM 679 C PHE B 25 0.364 -4.251 -0.777 1.00 0.00 C ATOM 680 O PHE B 25 -0.158 -3.609 0.113 1.00 0.00 O ATOM 681 CB PHE B 25 -0.534 -6.311 0.321 1.00 0.00 C ATOM 682 CG PHE B 25 -0.236 -5.737 1.687 1.00 0.00 C ATOM 683 CD1 PHE B 25 0.868 -6.201 2.417 1.00 0.00 C ATOM 684 CD2 PHE B 25 -1.063 -4.743 2.227 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.143 -5.670 3.684 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.789 -4.213 3.494 1.00 0.00 C ATOM 687 CZ PHE B 25 0.315 -4.676 4.222 1.00 0.00 C ATOM 0 H PHE B 25 2.167 -5.772 0.600 1.00 0.00 H new ATOM 0 HA PHE B 25 0.256 -6.200 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.547 -6.047 0.019 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.485 -7.399 0.356 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.506 -6.967 2.003 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.913 -4.385 1.665 1.00 0.00 H new ATOM 0 HE1 PHE B 25 1.993 -6.027 4.246 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.428 -3.448 3.910 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.528 -4.266 5.198 1.00 0.00 H new ATOM 697 N TYR B 26 0.851 -3.665 -1.837 1.00 0.00 N ATOM 698 CA TYR B 26 0.769 -2.184 -1.969 1.00 0.00 C ATOM 699 C TYR B 26 -0.668 -1.734 -1.684 1.00 0.00 C ATOM 700 O TYR B 26 -1.618 -2.424 -1.993 1.00 0.00 O ATOM 701 CB TYR B 26 1.172 -1.778 -3.392 1.00 0.00 C ATOM 702 CG TYR B 26 0.711 -0.367 -3.675 1.00 0.00 C ATOM 703 CD1 TYR B 26 1.123 0.685 -2.847 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.131 -0.111 -4.765 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.695 1.993 -3.109 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.559 1.195 -5.029 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.147 2.248 -4.200 1.00 0.00 C ATOM 708 OH TYR B 26 -0.570 3.535 -4.460 1.00 0.00 O ATOM 0 H TYR B 26 1.301 -4.147 -2.615 1.00 0.00 H new ATOM 0 HA TYR B 26 1.444 -1.709 -1.257 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.254 -1.846 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.731 -2.465 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.771 0.488 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.450 -0.922 -5.402 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.014 2.804 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.206 1.392 -5.871 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.549 3.572 -4.421 1.00 0.00 H new ATOM 718 N THR B 27 -0.832 -0.581 -1.095 1.00 0.00 N ATOM 719 CA THR B 27 -2.205 -0.088 -0.791 1.00 0.00 C ATOM 720 C THR B 27 -2.767 0.646 -2.010 1.00 0.00 C ATOM 721 O THR B 27 -2.110 1.481 -2.601 1.00 0.00 O ATOM 722 CB THR B 27 -2.150 0.870 0.402 1.00 0.00 C ATOM 723 OG1 THR B 27 -1.291 1.958 0.093 1.00 0.00 O ATOM 724 CG2 THR B 27 -1.617 0.129 1.629 1.00 0.00 C ATOM 0 H THR B 27 -0.075 0.041 -0.811 1.00 0.00 H new ATOM 0 HA THR B 27 -2.849 -0.934 -0.549 1.00 0.00 H new ATOM 0 HB THR B 27 -3.151 1.246 0.614 1.00 0.00 H new ATOM 0 HG1 THR B 27 -1.377 2.183 -0.857 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.578 0.812 2.478 1.00 0.00 H new ATOM 0 HG22 THR B 27 -2.277 -0.706 1.865 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.616 -0.248 1.420 1.00 0.00 H new ATOM 732 N LYS B 28 -3.977 0.342 -2.394 1.00 0.00 N ATOM 733 CA LYS B 28 -4.578 1.024 -3.574 1.00 0.00 C ATOM 734 C LYS B 28 -4.282 2.525 -3.504 1.00 0.00 C ATOM 735 O LYS B 28 -4.074 3.065 -2.435 1.00 0.00 O ATOM 736 CB LYS B 28 -6.092 0.802 -3.578 1.00 0.00 C ATOM 737 CG LYS B 28 -6.418 -0.484 -4.341 1.00 0.00 C ATOM 738 CD LYS B 28 -7.874 -0.874 -4.085 1.00 0.00 C ATOM 739 CE LYS B 28 -8.263 -2.031 -5.009 1.00 0.00 C ATOM 740 NZ LYS B 28 -9.268 -2.895 -4.326 1.00 0.00 N ATOM 0 H LYS B 28 -4.575 -0.349 -1.941 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.149 0.612 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.463 0.734 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.593 1.651 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.252 -0.338 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -5.754 -1.287 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.005 -1.167 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.527 -0.019 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.674 -1.644 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.381 -2.616 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.533 -3.681 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.860 -3.275 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.113 -2.333 -4.100 1.00 0.00 H new ATOM 754 N PRO B 29 -4.272 3.154 -4.651 1.00 0.00 N ATOM 755 CA PRO B 29 -4.004 4.598 -4.763 1.00 0.00 C ATOM 756 C PRO B 29 -5.250 5.403 -4.386 1.00 0.00 C ATOM 757 O PRO B 29 -6.366 4.964 -4.577 1.00 0.00 O ATOM 758 CB PRO B 29 -3.662 4.785 -6.245 1.00 0.00 C ATOM 759 CG PRO B 29 -4.295 3.587 -6.993 1.00 0.00 C ATOM 760 CD PRO B 29 -4.526 2.484 -5.943 1.00 0.00 C ATOM 0 HA PRO B 29 -3.209 4.940 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -4.058 5.729 -6.619 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -2.583 4.810 -6.395 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -5.235 3.877 -7.463 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -3.637 3.234 -7.787 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -5.541 2.091 -5.995 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.850 1.642 -6.095 1.00 0.00 H new ATOM 768 N THR B 30 -5.069 6.580 -3.852 1.00 0.00 N ATOM 769 CA THR B 30 -6.243 7.411 -3.463 1.00 0.00 C ATOM 770 C THR B 30 -6.063 8.832 -4.000 1.00 0.00 C ATOM 771 O THR B 30 -6.507 9.755 -3.337 1.00 0.00 O ATOM 772 CB THR B 30 -6.355 7.453 -1.938 1.00 0.00 C ATOM 773 OG1 THR B 30 -7.565 8.102 -1.570 1.00 0.00 O ATOM 774 CG2 THR B 30 -5.166 8.222 -1.359 1.00 0.00 C ATOM 775 OXT THR B 30 -5.484 8.974 -5.066 1.00 0.00 O ATOM 0 H THR B 30 -4.159 7.002 -3.668 1.00 0.00 H new ATOM 0 HA THR B 30 -7.150 6.976 -3.882 1.00 0.00 H new ATOM 0 HB THR B 30 -6.354 6.436 -1.546 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.617 8.974 -2.014 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.246 8.252 -0.272 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.238 7.724 -1.641 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.165 9.239 -1.751 1.00 0.00 H new TER 783 THR B 30