USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 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 12 SER OG : rot 180:sc= 0.053 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.0767! C(o=-0.024!,f=-9.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 84:sc= 0.15 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.21 K(o=-0.21,f=-3!) USER MOD Single : B 1 PHE N :NH3+ -140:sc= 0.0289 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.345 K(o=0.35,f=-0.54) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 5 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-4.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.15 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.0847 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.943 7.919 1.350 1.00 0.00 N ATOM 2 CA GLY A 1 -5.320 7.380 0.063 1.00 0.00 C ATOM 3 C GLY A 1 -3.863 7.049 0.033 1.00 0.00 C ATOM 4 O GLY A 1 -3.067 7.661 0.715 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.957 8.095 1.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.824 7.222 2.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.473 8.808 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.866 6.477 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.504 8.114 -0.721 1.00 0.00 H new ATOM 10 N ILE A 2 -3.474 6.084 -0.758 1.00 0.00 N ATOM 11 CA ILE A 2 -2.034 5.720 -0.836 1.00 0.00 C ATOM 12 C ILE A 2 -1.476 6.225 -2.161 1.00 0.00 C ATOM 13 O ILE A 2 -0.328 6.606 -2.266 1.00 0.00 O ATOM 14 CB ILE A 2 -1.889 4.200 -0.759 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.414 3.830 -0.565 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.404 3.577 -2.056 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.221 2.334 -0.821 1.00 0.00 C ATOM 0 H ILE A 2 -4.094 5.534 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.487 6.171 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.468 3.823 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.209 4.409 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.096 4.080 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.302 2.493 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.454 3.837 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.824 3.956 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.828 2.074 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.832 1.763 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.522 2.098 -1.842 1.00 0.00 H new ATOM 29 N VAL A 3 -2.291 6.228 -3.176 1.00 0.00 N ATOM 30 CA VAL A 3 -1.834 6.702 -4.507 1.00 0.00 C ATOM 31 C VAL A 3 -1.187 8.082 -4.376 1.00 0.00 C ATOM 32 O VAL A 3 -0.106 8.318 -4.874 1.00 0.00 O ATOM 33 CB VAL A 3 -3.038 6.788 -5.444 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.553 6.882 -6.888 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.900 5.534 -5.280 1.00 0.00 C ATOM 0 H VAL A 3 -3.262 5.919 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.100 6.004 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.627 7.672 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.411 6.943 -7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.936 7.772 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.965 5.997 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.760 5.593 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.309 4.652 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.246 5.463 -4.249 1.00 0.00 H new ATOM 45 N GLU A 4 -1.840 8.999 -3.715 1.00 0.00 N ATOM 46 CA GLU A 4 -1.259 10.363 -3.561 1.00 0.00 C ATOM 47 C GLU A 4 -0.250 10.368 -2.412 1.00 0.00 C ATOM 48 O GLU A 4 0.810 10.953 -2.507 1.00 0.00 O ATOM 49 CB GLU A 4 -2.377 11.364 -3.259 1.00 0.00 C ATOM 50 CG GLU A 4 -1.770 12.735 -2.955 1.00 0.00 C ATOM 51 CD GLU A 4 -2.795 13.594 -2.209 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.928 13.158 -2.091 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.428 14.671 -1.770 1.00 0.00 O ATOM 0 H GLU A 4 -2.750 8.863 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.756 10.645 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.054 11.436 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.967 11.020 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.869 12.620 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.473 13.227 -3.882 1.00 0.00 H new ATOM 60 N GLN A 5 -0.573 9.727 -1.325 1.00 0.00 N ATOM 61 CA GLN A 5 0.365 9.702 -0.170 1.00 0.00 C ATOM 62 C GLN A 5 1.688 9.056 -0.586 1.00 0.00 C ATOM 63 O GLN A 5 2.747 9.462 -0.153 1.00 0.00 O ATOM 64 CB GLN A 5 -0.258 8.899 0.973 1.00 0.00 C ATOM 65 CG GLN A 5 -1.307 9.753 1.687 1.00 0.00 C ATOM 66 CD GLN A 5 -0.680 10.405 2.920 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.123 9.797 3.599 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.013 11.626 3.240 1.00 0.00 N ATOM 0 H GLN A 5 -1.447 9.219 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 5 0.555 10.723 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.717 7.990 0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.515 8.590 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.689 10.519 1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.156 9.135 1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.687 12.137 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.599 12.069 4.060 1.00 0.00 H new ATOM 77 N CYS A 6 1.641 8.055 -1.422 1.00 0.00 N ATOM 78 CA CYS A 6 2.905 7.398 -1.852 1.00 0.00 C ATOM 79 C CYS A 6 3.493 8.155 -3.043 1.00 0.00 C ATOM 80 O CYS A 6 4.690 8.165 -3.253 1.00 0.00 O ATOM 81 CB CYS A 6 2.631 5.945 -2.246 1.00 0.00 C ATOM 82 SG CYS A 6 3.033 4.861 -0.855 1.00 0.00 S ATOM 0 H CYS A 6 0.787 7.667 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 6 3.616 7.412 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.585 5.823 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.227 5.674 -3.117 1.00 0.00 H new ATOM 87 N CYS A 7 2.665 8.800 -3.817 1.00 0.00 N ATOM 88 CA CYS A 7 3.188 9.566 -4.981 1.00 0.00 C ATOM 89 C CYS A 7 3.765 10.889 -4.473 1.00 0.00 C ATOM 90 O CYS A 7 4.644 11.469 -5.079 1.00 0.00 O ATOM 91 CB CYS A 7 2.053 9.857 -5.965 1.00 0.00 C ATOM 92 SG CYS A 7 1.939 8.537 -7.198 1.00 0.00 S ATOM 0 H CYS A 7 1.653 8.830 -3.694 1.00 0.00 H new ATOM 0 HA CYS A 7 3.958 8.985 -5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.109 9.944 -5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.227 10.812 -6.460 1.00 0.00 H new ATOM 97 N THR A 8 3.274 11.368 -3.361 1.00 0.00 N ATOM 98 CA THR A 8 3.789 12.650 -2.807 1.00 0.00 C ATOM 99 C THR A 8 4.765 12.347 -1.667 1.00 0.00 C ATOM 100 O THR A 8 5.586 13.166 -1.305 1.00 0.00 O ATOM 101 CB THR A 8 2.611 13.480 -2.282 1.00 0.00 C ATOM 102 OG1 THR A 8 1.927 14.070 -3.377 1.00 0.00 O ATOM 103 CG2 THR A 8 3.125 14.581 -1.350 1.00 0.00 C ATOM 0 H THR A 8 2.537 10.924 -2.813 1.00 0.00 H new ATOM 0 HA THR A 8 4.307 13.213 -3.584 1.00 0.00 H new ATOM 0 HB THR A 8 1.931 12.831 -1.730 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.173 14.600 -3.044 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.284 15.167 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.650 14.129 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.808 15.231 -1.897 1.00 0.00 H new ATOM 111 N SER A 9 4.678 11.175 -1.099 1.00 0.00 N ATOM 112 CA SER A 9 5.597 10.817 0.018 1.00 0.00 C ATOM 113 C SER A 9 6.260 9.468 -0.276 1.00 0.00 C ATOM 114 O SER A 9 5.801 8.706 -1.103 1.00 0.00 O ATOM 115 CB SER A 9 4.802 10.721 1.319 1.00 0.00 C ATOM 116 OG SER A 9 3.793 11.722 1.327 1.00 0.00 O ATOM 0 H SER A 9 4.010 10.450 -1.361 1.00 0.00 H new ATOM 0 HA SER A 9 6.365 11.584 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.351 9.733 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.465 10.850 2.174 1.00 0.00 H new ATOM 0 HG SER A 9 3.009 11.400 0.835 1.00 0.00 H new ATOM 122 N ILE A 10 7.336 9.168 0.399 1.00 0.00 N ATOM 123 CA ILE A 10 8.033 7.873 0.165 1.00 0.00 C ATOM 124 C ILE A 10 7.342 6.772 0.976 1.00 0.00 C ATOM 125 O ILE A 10 6.664 7.044 1.947 1.00 0.00 O ATOM 126 CB ILE A 10 9.488 8.001 0.618 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.171 9.120 -0.170 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.217 6.681 0.369 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.435 8.653 -1.601 1.00 0.00 C ATOM 0 H ILE A 10 7.763 9.767 1.105 1.00 0.00 H new ATOM 0 HA ILE A 10 7.998 7.620 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 10 9.518 8.237 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.541 10.010 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.109 9.397 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.254 6.772 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.730 5.885 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.187 6.444 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.922 9.452 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.082 7.776 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.490 8.398 -2.081 1.00 0.00 H new ATOM 141 N CYS A 11 7.504 5.532 0.596 1.00 0.00 N ATOM 142 CA CYS A 11 6.847 4.432 1.368 1.00 0.00 C ATOM 143 C CYS A 11 7.711 3.173 1.310 1.00 0.00 C ATOM 144 O CYS A 11 8.114 2.731 0.253 1.00 0.00 O ATOM 145 CB CYS A 11 5.458 4.106 0.788 1.00 0.00 C ATOM 146 SG CYS A 11 4.898 5.424 -0.320 1.00 0.00 S ATOM 0 H CYS A 11 8.057 5.233 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 11 6.733 4.765 2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.498 3.161 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.741 3.978 1.599 1.00 0.00 H new ATOM 151 N SER A 12 7.991 2.585 2.442 1.00 0.00 N ATOM 152 CA SER A 12 8.821 1.347 2.454 1.00 0.00 C ATOM 153 C SER A 12 7.904 0.131 2.601 1.00 0.00 C ATOM 154 O SER A 12 6.726 0.267 2.868 1.00 0.00 O ATOM 155 CB SER A 12 9.798 1.398 3.628 1.00 0.00 C ATOM 156 OG SER A 12 9.233 2.171 4.677 1.00 0.00 O ATOM 0 H SER A 12 7.681 2.909 3.358 1.00 0.00 H new ATOM 0 HA SER A 12 9.383 1.272 1.523 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.014 0.389 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.745 1.834 3.309 1.00 0.00 H new ATOM 0 HG SER A 12 9.857 2.204 5.432 1.00 0.00 H new ATOM 162 N LEU A 13 8.436 -1.051 2.410 1.00 0.00 N ATOM 163 CA LEU A 13 7.609 -2.291 2.521 1.00 0.00 C ATOM 164 C LEU A 13 6.529 -2.124 3.586 1.00 0.00 C ATOM 165 O LEU A 13 5.404 -2.552 3.414 1.00 0.00 O ATOM 166 CB LEU A 13 8.497 -3.480 2.891 1.00 0.00 C ATOM 167 CG LEU A 13 7.633 -4.738 3.008 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.769 -4.884 1.755 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.533 -5.965 3.149 1.00 0.00 C ATOM 0 H LEU A 13 9.417 -1.210 2.180 1.00 0.00 H new ATOM 0 HA LEU A 13 7.134 -2.471 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.268 -3.623 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.009 -3.287 3.834 1.00 0.00 H new ATOM 0 HG LEU A 13 6.991 -4.655 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.154 -5.780 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.125 -4.010 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.411 -4.966 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.917 -6.860 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.176 -6.047 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.149 -5.864 4.043 1.00 0.00 H new ATOM 181 N TYR A 14 6.854 -1.504 4.680 1.00 0.00 N ATOM 182 CA TYR A 14 5.837 -1.309 5.747 1.00 0.00 C ATOM 183 C TYR A 14 4.550 -0.768 5.123 1.00 0.00 C ATOM 184 O TYR A 14 3.523 -1.419 5.129 1.00 0.00 O ATOM 185 CB TYR A 14 6.365 -0.304 6.772 1.00 0.00 C ATOM 186 CG TYR A 14 6.589 -1.000 8.092 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.494 -1.397 8.869 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.893 -1.249 8.541 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.702 -2.045 10.095 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.102 -1.895 9.765 1.00 0.00 C ATOM 191 CZ TYR A 14 7.006 -2.293 10.543 1.00 0.00 C ATOM 192 OH TYR A 14 7.212 -2.929 11.750 1.00 0.00 O ATOM 0 H TYR A 14 7.778 -1.123 4.883 1.00 0.00 H new ATOM 0 HA TYR A 14 5.634 -2.260 6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.297 0.136 6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.654 0.513 6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.489 -1.204 8.524 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.738 -0.942 7.942 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.857 -2.353 10.694 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.107 -2.087 10.110 1.00 0.00 H new ATOM 0 HH TYR A 14 8.174 -3.024 11.910 1.00 0.00 H new ATOM 202 N GLN A 15 4.604 0.416 4.580 1.00 0.00 N ATOM 203 CA GLN A 15 3.394 1.013 3.952 1.00 0.00 C ATOM 204 C GLN A 15 2.796 0.018 2.959 1.00 0.00 C ATOM 205 O GLN A 15 1.596 -0.064 2.790 1.00 0.00 O ATOM 206 CB GLN A 15 3.792 2.296 3.219 1.00 0.00 C ATOM 207 CG GLN A 15 3.936 3.437 4.229 1.00 0.00 C ATOM 208 CD GLN A 15 5.321 3.375 4.878 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.035 2.404 4.724 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.736 4.380 5.602 1.00 0.00 N ATOM 0 H GLN A 15 5.440 0.999 4.544 1.00 0.00 H new ATOM 0 HA GLN A 15 2.655 1.245 4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.731 2.147 2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.039 2.550 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.799 4.397 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.162 3.361 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.138 5.196 5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.658 4.349 6.037 1.00 0.00 H new ATOM 219 N LEU A 16 3.626 -0.736 2.300 1.00 0.00 N ATOM 220 CA LEU A 16 3.114 -1.728 1.313 1.00 0.00 C ATOM 221 C LEU A 16 2.385 -2.856 2.042 1.00 0.00 C ATOM 222 O LEU A 16 1.250 -3.174 1.743 1.00 0.00 O ATOM 223 CB LEU A 16 4.283 -2.311 0.536 1.00 0.00 C ATOM 224 CG LEU A 16 4.867 -1.225 -0.359 1.00 0.00 C ATOM 225 CD1 LEU A 16 6.303 -0.942 0.052 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.840 -1.697 -1.809 1.00 0.00 C ATOM 0 H LEU A 16 4.641 -0.710 2.401 1.00 0.00 H new ATOM 0 HA LEU A 16 2.423 -1.233 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.043 -2.684 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.952 -3.158 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 16 4.275 -0.315 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.719 -0.165 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.325 -0.607 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.896 -1.851 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.257 -0.922 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.432 -2.607 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.811 -1.900 -2.106 1.00 0.00 H new ATOM 238 N GLU A 17 3.036 -3.471 2.990 1.00 0.00 N ATOM 239 CA GLU A 17 2.395 -4.591 3.738 1.00 0.00 C ATOM 240 C GLU A 17 1.070 -4.125 4.347 1.00 0.00 C ATOM 241 O GLU A 17 0.247 -4.927 4.746 1.00 0.00 O ATOM 242 CB GLU A 17 3.332 -5.059 4.853 1.00 0.00 C ATOM 243 CG GLU A 17 3.339 -6.589 4.905 1.00 0.00 C ATOM 244 CD GLU A 17 4.695 -7.076 5.414 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.925 -6.984 6.608 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.482 -7.535 4.600 1.00 0.00 O ATOM 0 H GLU A 17 3.988 -3.246 3.281 1.00 0.00 H new ATOM 0 HA GLU A 17 2.201 -5.415 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.341 -4.686 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.006 -4.653 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.544 -6.945 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.142 -6.998 3.914 1.00 0.00 H new ATOM 253 N ASN A 18 0.853 -2.842 4.429 1.00 0.00 N ATOM 254 CA ASN A 18 -0.421 -2.343 5.019 1.00 0.00 C ATOM 255 C ASN A 18 -1.467 -2.168 3.915 1.00 0.00 C ATOM 256 O ASN A 18 -2.478 -1.522 4.107 1.00 0.00 O ATOM 257 CB ASN A 18 -0.174 -0.998 5.707 1.00 0.00 C ATOM 258 CG ASN A 18 -0.862 -0.989 7.073 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.055 -0.774 7.164 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.157 -1.216 8.148 1.00 0.00 N ATOM 0 H ASN A 18 1.500 -2.119 4.114 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.786 -3.064 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.896 -0.830 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.558 -0.186 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.607 -1.213 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.844 -1.397 8.073 1.00 0.00 H new ATOM 267 N TYR A 19 -1.235 -2.736 2.764 1.00 0.00 N ATOM 268 CA TYR A 19 -2.226 -2.595 1.660 1.00 0.00 C ATOM 269 C TYR A 19 -2.379 -3.926 0.926 1.00 0.00 C ATOM 270 O TYR A 19 -2.376 -3.979 -0.288 1.00 0.00 O ATOM 271 CB TYR A 19 -1.744 -1.529 0.677 1.00 0.00 C ATOM 272 CG TYR A 19 -1.616 -0.212 1.399 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.691 0.281 2.150 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.424 0.516 1.317 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.571 1.505 2.821 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.304 1.740 1.987 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.377 2.236 2.738 1.00 0.00 C ATOM 278 OH TYR A 19 -1.259 3.441 3.397 1.00 0.00 O ATOM 0 H TYR A 19 -0.407 -3.289 2.541 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.189 -2.302 2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.784 -1.818 0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.446 -1.437 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.611 -0.282 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.403 0.134 0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.398 1.886 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.616 2.302 1.924 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.368 3.816 3.236 1.00 0.00 H new ATOM 288 N CYS A 20 -2.521 -5.003 1.647 1.00 0.00 N ATOM 289 CA CYS A 20 -2.682 -6.321 0.977 1.00 0.00 C ATOM 290 C CYS A 20 -3.042 -7.387 2.011 1.00 0.00 C ATOM 291 O CYS A 20 -2.799 -7.230 3.191 1.00 0.00 O ATOM 292 CB CYS A 20 -1.377 -6.706 0.275 1.00 0.00 C ATOM 293 SG CYS A 20 -1.628 -8.227 -0.676 1.00 0.00 S ATOM 0 H CYS A 20 -2.532 -5.027 2.667 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.482 -6.252 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.056 -5.901 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.585 -6.851 1.010 1.00 0.00 H new ATOM 298 N ASN A 21 -3.624 -8.470 1.574 1.00 0.00 N ATOM 299 CA ASN A 21 -4.005 -9.546 2.529 1.00 0.00 C ATOM 300 C ASN A 21 -2.785 -9.943 3.364 1.00 0.00 C ATOM 301 O ASN A 21 -1.725 -10.112 2.785 1.00 0.00 O ATOM 302 CB ASN A 21 -4.509 -10.764 1.749 1.00 0.00 C ATOM 303 CG ASN A 21 -5.564 -11.500 2.576 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.922 -11.065 3.652 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.078 -12.608 2.117 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.933 -10.072 4.568 1.00 0.00 O ATOM 0 H ASN A 21 -3.852 -8.655 0.597 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.794 -9.185 3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.934 -10.448 0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.679 -11.432 1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.780 -13.109 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.778 -12.974 1.213 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.323 -4.015 2.551 1.00 0.00 N ATOM 315 CA PHE B 1 12.591 -3.942 1.087 1.00 0.00 C ATOM 316 C PHE B 1 13.172 -2.568 0.745 1.00 0.00 C ATOM 317 O PHE B 1 13.849 -1.953 1.544 1.00 0.00 O ATOM 318 CB PHE B 1 11.281 -4.143 0.318 1.00 0.00 C ATOM 319 CG PHE B 1 11.554 -4.792 -1.024 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.863 -4.873 -1.526 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.488 -5.313 -1.769 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.101 -5.476 -2.769 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.727 -5.914 -3.012 1.00 0.00 C ATOM 324 CZ PHE B 1 12.033 -5.996 -3.510 1.00 0.00 C ATOM 0 H1 PHE B 1 12.588 -4.956 2.906 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.882 -3.289 3.043 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.311 -3.851 2.727 1.00 0.00 H new ATOM 0 HA PHE B 1 13.301 -4.720 0.808 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.602 -4.766 0.900 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.786 -3.183 0.172 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.686 -4.471 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.481 -5.251 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.108 -5.539 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.904 -6.314 -3.586 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.217 -6.461 -4.467 1.00 0.00 H new ATOM 336 N VAL B 2 12.910 -2.084 -0.439 1.00 0.00 N ATOM 337 CA VAL B 2 13.436 -0.759 -0.840 1.00 0.00 C ATOM 338 C VAL B 2 12.629 0.340 -0.141 1.00 0.00 C ATOM 339 O VAL B 2 12.043 0.122 0.900 1.00 0.00 O ATOM 340 CB VAL B 2 13.298 -0.623 -2.353 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.134 -1.701 -3.041 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.828 -0.792 -2.748 1.00 0.00 C ATOM 0 H VAL B 2 12.349 -2.558 -1.147 1.00 0.00 H new ATOM 0 HA VAL B 2 14.484 -0.664 -0.555 1.00 0.00 H new ATOM 0 HB VAL B 2 13.649 0.362 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.035 -1.603 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.181 -1.584 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.783 -2.686 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.728 -0.695 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.479 -1.777 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.229 -0.024 -2.258 1.00 0.00 H new ATOM 352 N ASN B 3 12.594 1.521 -0.699 1.00 0.00 N ATOM 353 CA ASN B 3 11.825 2.623 -0.059 1.00 0.00 C ATOM 354 C ASN B 3 11.828 3.850 -0.978 1.00 0.00 C ATOM 355 O ASN B 3 12.217 4.930 -0.583 1.00 0.00 O ATOM 356 CB ASN B 3 12.476 2.983 1.280 1.00 0.00 C ATOM 357 CG ASN B 3 13.978 3.188 1.078 1.00 0.00 C ATOM 358 OD1 ASN B 3 14.766 2.302 1.348 1.00 0.00 O ATOM 359 ND2 ASN B 3 14.412 4.327 0.614 1.00 0.00 N ATOM 0 H ASN B 3 13.065 1.768 -1.569 1.00 0.00 H new ATOM 0 HA ASN B 3 10.797 2.302 0.110 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.025 3.890 1.683 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.301 2.190 2.007 1.00 0.00 H new ATOM 0 HD21 ASN B 3 15.412 4.474 0.478 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.751 5.070 0.387 1.00 0.00 H new ATOM 366 N GLN B 4 11.400 3.689 -2.203 1.00 0.00 N ATOM 367 CA GLN B 4 11.388 4.849 -3.143 1.00 0.00 C ATOM 368 C GLN B 4 9.973 5.434 -3.243 1.00 0.00 C ATOM 369 O GLN B 4 9.182 5.349 -2.320 1.00 0.00 O ATOM 370 CB GLN B 4 11.867 4.395 -4.532 1.00 0.00 C ATOM 371 CG GLN B 4 10.712 3.759 -5.319 1.00 0.00 C ATOM 372 CD GLN B 4 11.157 2.412 -5.891 1.00 0.00 C ATOM 373 OE1 GLN B 4 11.432 1.486 -5.153 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.239 2.263 -7.185 1.00 0.00 N ATOM 0 H GLN B 4 11.060 2.809 -2.592 1.00 0.00 H new ATOM 0 HA GLN B 4 12.060 5.619 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.264 5.248 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN B 4 12.681 3.678 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.849 3.621 -4.668 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.400 4.422 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.008 3.040 -7.804 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.534 1.369 -7.578 1.00 0.00 H new ATOM 383 N HIS B 5 9.657 6.028 -4.365 1.00 0.00 N ATOM 384 CA HIS B 5 8.304 6.627 -4.548 1.00 0.00 C ATOM 385 C HIS B 5 7.329 5.555 -5.042 1.00 0.00 C ATOM 386 O HIS B 5 7.604 4.835 -5.982 1.00 0.00 O ATOM 387 CB HIS B 5 8.380 7.751 -5.584 1.00 0.00 C ATOM 388 CG HIS B 5 9.052 8.955 -4.981 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.380 10.148 -4.821 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.324 9.134 -4.511 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.249 11.007 -4.268 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.451 10.431 -4.060 1.00 0.00 N ATOM 0 H HIS B 5 10.282 6.124 -5.165 1.00 0.00 H new ATOM 0 HA HIS B 5 7.956 7.026 -3.595 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.935 7.414 -6.460 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.378 8.014 -5.923 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.101 8.384 -4.496 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.016 12.032 -4.020 1.00 0.00 H new ATOM 0 HE2 HIS B 5 11.280 10.864 -3.654 1.00 0.00 H new ATOM 400 N LEU B 6 6.187 5.448 -4.420 1.00 0.00 N ATOM 401 CA LEU B 6 5.189 4.431 -4.854 1.00 0.00 C ATOM 402 C LEU B 6 4.106 5.112 -5.693 1.00 0.00 C ATOM 403 O LEU B 6 3.223 5.762 -5.173 1.00 0.00 O ATOM 404 CB LEU B 6 4.553 3.795 -3.618 1.00 0.00 C ATOM 405 CG LEU B 6 4.892 2.305 -3.581 1.00 0.00 C ATOM 406 CD1 LEU B 6 6.353 2.125 -3.165 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.984 1.601 -2.570 1.00 0.00 C ATOM 0 H LEU B 6 5.902 6.023 -3.627 1.00 0.00 H new ATOM 0 HA LEU B 6 5.680 3.662 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.918 4.285 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.472 3.933 -3.640 1.00 0.00 H new ATOM 0 HG LEU B 6 4.740 1.873 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.595 1.063 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU B 6 7.000 2.627 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.506 2.557 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.225 0.538 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.137 2.033 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.943 1.729 -2.865 1.00 0.00 H new ATOM 419 N CYS B 7 4.164 4.980 -6.990 1.00 0.00 N ATOM 420 CA CYS B 7 3.132 5.636 -7.838 1.00 0.00 C ATOM 421 C CYS B 7 2.435 4.597 -8.723 1.00 0.00 C ATOM 422 O CYS B 7 3.055 3.664 -9.191 1.00 0.00 O ATOM 423 CB CYS B 7 3.795 6.692 -8.725 1.00 0.00 C ATOM 424 SG CYS B 7 3.834 8.280 -7.854 1.00 0.00 S ATOM 0 H CYS B 7 4.875 4.451 -7.495 1.00 0.00 H new ATOM 0 HA CYS B 7 2.392 6.108 -7.191 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.808 6.382 -8.982 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.245 6.793 -9.661 1.00 0.00 H new ATOM 429 N GLY B 8 1.152 4.781 -8.944 1.00 0.00 N ATOM 430 CA GLY B 8 0.332 3.853 -9.798 1.00 0.00 C ATOM 431 C GLY B 8 1.123 2.618 -10.244 1.00 0.00 C ATOM 432 O GLY B 8 1.313 1.686 -9.487 1.00 0.00 O ATOM 0 H GLY B 8 0.622 5.561 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.550 3.535 -9.241 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.023 4.391 -10.677 1.00 0.00 H new ATOM 436 N SER B 9 1.565 2.603 -11.474 1.00 0.00 N ATOM 437 CA SER B 9 2.329 1.428 -11.990 1.00 0.00 C ATOM 438 C SER B 9 3.274 0.898 -10.910 1.00 0.00 C ATOM 439 O SER B 9 3.049 -0.153 -10.342 1.00 0.00 O ATOM 440 CB SER B 9 3.140 1.843 -13.217 1.00 0.00 C ATOM 441 OG SER B 9 2.761 3.156 -13.607 1.00 0.00 O ATOM 0 H SER B 9 1.429 3.357 -12.147 1.00 0.00 H new ATOM 0 HA SER B 9 1.626 0.642 -12.265 1.00 0.00 H new ATOM 0 HB2 SER B 9 4.206 1.812 -12.991 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.967 1.144 -14.035 1.00 0.00 H new ATOM 0 HG SER B 9 3.280 3.427 -14.393 1.00 0.00 H new ATOM 447 N ASP B 10 4.323 1.614 -10.617 1.00 0.00 N ATOM 448 CA ASP B 10 5.268 1.141 -9.567 1.00 0.00 C ATOM 449 C ASP B 10 4.461 0.682 -8.364 1.00 0.00 C ATOM 450 O ASP B 10 4.728 -0.342 -7.768 1.00 0.00 O ATOM 451 CB ASP B 10 6.179 2.294 -9.145 1.00 0.00 C ATOM 452 CG ASP B 10 6.978 2.786 -10.354 1.00 0.00 C ATOM 453 OD1 ASP B 10 6.466 3.625 -11.077 1.00 0.00 O ATOM 454 OD2 ASP B 10 8.090 2.314 -10.536 1.00 0.00 O ATOM 0 H ASP B 10 4.566 2.502 -11.056 1.00 0.00 H new ATOM 0 HA ASP B 10 5.874 0.322 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.584 3.109 -8.734 1.00 0.00 H new ATOM 0 HB3 ASP B 10 6.857 1.965 -8.357 1.00 0.00 H new ATOM 459 N LEU B 11 3.468 1.440 -8.015 1.00 0.00 N ATOM 460 CA LEU B 11 2.615 1.075 -6.859 1.00 0.00 C ATOM 461 C LEU B 11 2.268 -0.408 -6.952 1.00 0.00 C ATOM 462 O LEU B 11 2.567 -1.182 -6.067 1.00 0.00 O ATOM 463 CB LEU B 11 1.339 1.915 -6.924 1.00 0.00 C ATOM 464 CG LEU B 11 0.764 2.207 -5.528 1.00 0.00 C ATOM 465 CD1 LEU B 11 1.873 2.490 -4.513 1.00 0.00 C ATOM 466 CD2 LEU B 11 -0.125 3.444 -5.630 1.00 0.00 C ATOM 0 H LEU B 11 3.208 2.306 -8.486 1.00 0.00 H new ATOM 0 HA LEU B 11 3.133 1.263 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.551 2.856 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.592 1.392 -7.521 1.00 0.00 H new ATOM 0 HG LEU B 11 0.204 1.334 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.431 2.692 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.530 1.623 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.450 3.357 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.545 3.672 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.468 4.291 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.933 3.254 -6.336 1.00 0.00 H new ATOM 478 N ALA B 12 1.651 -0.814 -8.026 1.00 0.00 N ATOM 479 CA ALA B 12 1.308 -2.252 -8.172 1.00 0.00 C ATOM 480 C ALA B 12 2.602 -3.048 -8.288 1.00 0.00 C ATOM 481 O ALA B 12 2.842 -3.965 -7.536 1.00 0.00 O ATOM 482 CB ALA B 12 0.470 -2.469 -9.435 1.00 0.00 C ATOM 0 H ALA B 12 1.372 -0.216 -8.803 1.00 0.00 H new ATOM 0 HA ALA B 12 0.733 -2.580 -7.306 1.00 0.00 H new ATOM 0 HB1 ALA B 12 0.225 -3.527 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.450 -1.888 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA B 12 1.038 -2.147 -10.308 1.00 0.00 H new ATOM 488 N GLU B 13 3.445 -2.699 -9.223 1.00 0.00 N ATOM 489 CA GLU B 13 4.725 -3.440 -9.382 1.00 0.00 C ATOM 490 C GLU B 13 5.379 -3.629 -8.016 1.00 0.00 C ATOM 491 O GLU B 13 5.993 -4.643 -7.749 1.00 0.00 O ATOM 492 CB GLU B 13 5.664 -2.651 -10.295 1.00 0.00 C ATOM 493 CG GLU B 13 5.829 -3.401 -11.618 1.00 0.00 C ATOM 494 CD GLU B 13 7.086 -4.268 -11.559 1.00 0.00 C ATOM 495 OE1 GLU B 13 8.042 -3.849 -10.927 1.00 0.00 O ATOM 496 OE2 GLU B 13 7.072 -5.338 -12.145 1.00 0.00 O ATOM 0 H GLU B 13 3.301 -1.934 -9.882 1.00 0.00 H new ATOM 0 HA GLU B 13 4.525 -4.415 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.262 -1.654 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.633 -2.521 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.954 -4.023 -11.807 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.901 -2.693 -12.443 1.00 0.00 H new ATOM 503 N ALA B 14 5.253 -2.668 -7.141 1.00 0.00 N ATOM 504 CA ALA B 14 5.870 -2.818 -5.795 1.00 0.00 C ATOM 505 C ALA B 14 5.063 -3.837 -4.993 1.00 0.00 C ATOM 506 O ALA B 14 5.602 -4.776 -4.442 1.00 0.00 O ATOM 507 CB ALA B 14 5.860 -1.470 -5.072 1.00 0.00 C ATOM 0 H ALA B 14 4.753 -1.793 -7.299 1.00 0.00 H new ATOM 0 HA ALA B 14 6.900 -3.160 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.312 -1.582 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.428 -0.742 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.832 -1.124 -4.962 1.00 0.00 H new ATOM 513 N LEU B 15 3.770 -3.671 -4.937 1.00 0.00 N ATOM 514 CA LEU B 15 2.934 -4.644 -4.181 1.00 0.00 C ATOM 515 C LEU B 15 2.951 -5.981 -4.926 1.00 0.00 C ATOM 516 O LEU B 15 2.813 -7.040 -4.347 1.00 0.00 O ATOM 517 CB LEU B 15 1.498 -4.125 -4.097 1.00 0.00 C ATOM 518 CG LEU B 15 1.442 -2.918 -3.160 1.00 0.00 C ATOM 519 CD1 LEU B 15 0.236 -2.049 -3.523 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.304 -3.403 -1.716 1.00 0.00 C ATOM 0 H LEU B 15 3.259 -2.907 -5.380 1.00 0.00 H new ATOM 0 HA LEU B 15 3.327 -4.772 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.143 -3.845 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.837 -4.912 -3.733 1.00 0.00 H new ATOM 0 HG LEU B 15 2.356 -2.333 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.194 -1.188 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.332 -1.706 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.678 -2.633 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.264 -2.544 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.389 -3.986 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.161 -4.025 -1.458 1.00 0.00 H new ATOM 532 N TYR B 16 3.123 -5.922 -6.218 1.00 0.00 N ATOM 533 CA TYR B 16 3.160 -7.158 -7.050 1.00 0.00 C ATOM 534 C TYR B 16 4.380 -7.985 -6.673 1.00 0.00 C ATOM 535 O TYR B 16 4.437 -9.178 -6.902 1.00 0.00 O ATOM 536 CB TYR B 16 3.285 -6.754 -8.520 1.00 0.00 C ATOM 537 CG TYR B 16 2.322 -7.546 -9.359 1.00 0.00 C ATOM 538 CD1 TYR B 16 1.027 -7.786 -8.892 1.00 0.00 C ATOM 539 CD2 TYR B 16 2.719 -8.026 -10.611 1.00 0.00 C ATOM 540 CE1 TYR B 16 0.122 -8.511 -9.677 1.00 0.00 C ATOM 541 CE2 TYR B 16 1.817 -8.749 -11.401 1.00 0.00 C ATOM 542 CZ TYR B 16 0.517 -8.993 -10.935 1.00 0.00 C ATOM 543 OH TYR B 16 -0.373 -9.707 -11.712 1.00 0.00 O ATOM 0 H TYR B 16 3.241 -5.054 -6.741 1.00 0.00 H new ATOM 0 HA TYR B 16 2.252 -7.739 -6.886 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.084 -5.688 -8.630 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.305 -6.923 -8.866 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.724 -7.412 -7.925 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.721 -7.839 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.878 -8.699 -9.315 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.122 -9.119 -12.369 1.00 0.00 H new ATOM 0 HH TYR B 16 0.060 -9.965 -12.552 1.00 0.00 H new ATOM 553 N LEU B 17 5.369 -7.350 -6.125 1.00 0.00 N ATOM 554 CA LEU B 17 6.606 -8.063 -5.759 1.00 0.00 C ATOM 555 C LEU B 17 6.626 -8.341 -4.251 1.00 0.00 C ATOM 556 O LEU B 17 7.492 -9.026 -3.746 1.00 0.00 O ATOM 557 CB LEU B 17 7.770 -7.173 -6.155 1.00 0.00 C ATOM 558 CG LEU B 17 9.092 -7.830 -5.795 1.00 0.00 C ATOM 559 CD1 LEU B 17 9.037 -9.347 -6.037 1.00 0.00 C ATOM 560 CD2 LEU B 17 10.174 -7.230 -6.676 1.00 0.00 C ATOM 0 H LEU B 17 5.369 -6.352 -5.914 1.00 0.00 H new ATOM 0 HA LEU B 17 6.670 -9.023 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.736 -6.975 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.687 -6.210 -5.651 1.00 0.00 H new ATOM 0 HG LEU B 17 9.302 -7.657 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.996 -9.793 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.250 -9.785 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.826 -9.540 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.134 -7.687 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.936 -7.417 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.230 -6.155 -6.503 1.00 0.00 H new ATOM 572 N VAL B 18 5.675 -7.821 -3.526 1.00 0.00 N ATOM 573 CA VAL B 18 5.647 -8.068 -2.058 1.00 0.00 C ATOM 574 C VAL B 18 4.542 -9.077 -1.741 1.00 0.00 C ATOM 575 O VAL B 18 4.737 -10.017 -0.996 1.00 0.00 O ATOM 576 CB VAL B 18 5.393 -6.749 -1.314 1.00 0.00 C ATOM 577 CG1 VAL B 18 6.088 -5.609 -2.052 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.892 -6.453 -1.243 1.00 0.00 C ATOM 0 H VAL B 18 4.919 -7.238 -3.885 1.00 0.00 H new ATOM 0 HA VAL B 18 6.606 -8.471 -1.733 1.00 0.00 H new ATOM 0 HB VAL B 18 5.787 -6.839 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.909 -4.672 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.160 -5.803 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.693 -5.537 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.731 -5.515 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.489 -6.373 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.387 -7.261 -0.714 1.00 0.00 H new ATOM 588 N CYS B 19 3.380 -8.885 -2.303 1.00 0.00 N ATOM 589 CA CYS B 19 2.263 -9.825 -2.039 1.00 0.00 C ATOM 590 C CYS B 19 2.259 -10.921 -3.111 1.00 0.00 C ATOM 591 O CYS B 19 2.142 -12.093 -2.813 1.00 0.00 O ATOM 592 CB CYS B 19 0.942 -9.053 -2.065 1.00 0.00 C ATOM 593 SG CYS B 19 0.105 -9.246 -0.470 1.00 0.00 S ATOM 0 H CYS B 19 3.159 -8.115 -2.934 1.00 0.00 H new ATOM 0 HA CYS B 19 2.387 -10.288 -1.060 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.128 -7.998 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.307 -9.424 -2.869 1.00 0.00 H new ATOM 598 N GLY B 20 2.397 -10.551 -4.356 1.00 0.00 N ATOM 599 CA GLY B 20 2.411 -11.573 -5.444 1.00 0.00 C ATOM 600 C GLY B 20 1.118 -12.392 -5.404 1.00 0.00 C ATOM 601 O GLY B 20 0.879 -13.143 -4.481 1.00 0.00 O ATOM 0 H GLY B 20 2.501 -9.585 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.513 -11.084 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.272 -12.231 -5.327 1.00 0.00 H new ATOM 605 N GLU B 21 0.287 -12.243 -6.405 1.00 0.00 N ATOM 606 CA GLU B 21 -1.012 -12.994 -6.467 1.00 0.00 C ATOM 607 C GLU B 21 -1.654 -13.112 -5.080 1.00 0.00 C ATOM 608 O GLU B 21 -2.459 -13.988 -4.834 1.00 0.00 O ATOM 609 CB GLU B 21 -0.789 -14.394 -7.054 1.00 0.00 C ATOM 610 CG GLU B 21 0.178 -15.206 -6.183 1.00 0.00 C ATOM 611 CD GLU B 21 -0.530 -15.667 -4.907 1.00 0.00 C ATOM 612 OE1 GLU B 21 -1.215 -16.675 -4.965 1.00 0.00 O ATOM 613 OE2 GLU B 21 -0.376 -15.005 -3.894 1.00 0.00 O ATOM 0 H GLU B 21 0.454 -11.623 -7.197 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.689 -12.434 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.742 -14.917 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.390 -14.309 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.543 -16.070 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.047 -14.600 -5.928 1.00 0.00 H new ATOM 620 N ARG B 22 -1.318 -12.238 -4.177 1.00 0.00 N ATOM 621 CA ARG B 22 -1.913 -12.299 -2.821 1.00 0.00 C ATOM 622 C ARG B 22 -3.124 -11.370 -2.767 1.00 0.00 C ATOM 623 O ARG B 22 -3.927 -11.429 -1.858 1.00 0.00 O ATOM 624 CB ARG B 22 -0.869 -11.844 -1.798 1.00 0.00 C ATOM 625 CG ARG B 22 0.099 -12.992 -1.502 1.00 0.00 C ATOM 626 CD ARG B 22 -0.644 -14.128 -0.803 1.00 0.00 C ATOM 627 NE ARG B 22 -0.792 -13.812 0.645 1.00 0.00 N ATOM 628 CZ ARG B 22 -0.761 -14.772 1.528 1.00 0.00 C ATOM 629 NH1 ARG B 22 -1.751 -15.620 1.606 1.00 0.00 N ATOM 630 NH2 ARG B 22 0.258 -14.884 2.335 1.00 0.00 N ATOM 0 H ARG B 22 -0.652 -11.479 -4.323 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.226 -13.318 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.321 -10.983 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.361 -11.525 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.544 -13.353 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.916 -12.638 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.625 -14.268 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.099 -15.064 -0.927 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.918 -12.846 0.946 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.549 -15.532 0.977 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.727 -16.370 2.296 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.031 -14.221 2.276 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.282 -15.635 3.025 1.00 0.00 H new ATOM 644 N GLY B 23 -3.259 -10.513 -3.740 1.00 0.00 N ATOM 645 CA GLY B 23 -4.416 -9.580 -3.753 1.00 0.00 C ATOM 646 C GLY B 23 -4.113 -8.377 -2.860 1.00 0.00 C ATOM 647 O GLY B 23 -4.359 -8.398 -1.669 1.00 0.00 O ATOM 0 H GLY B 23 -2.617 -10.419 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.617 -9.248 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.312 -10.091 -3.401 1.00 0.00 H new ATOM 651 N PHE B 24 -3.588 -7.324 -3.424 1.00 0.00 N ATOM 652 CA PHE B 24 -3.283 -6.123 -2.602 1.00 0.00 C ATOM 653 C PHE B 24 -4.226 -4.994 -3.004 1.00 0.00 C ATOM 654 O PHE B 24 -4.427 -4.724 -4.171 1.00 0.00 O ATOM 655 CB PHE B 24 -1.827 -5.692 -2.811 1.00 0.00 C ATOM 656 CG PHE B 24 -1.473 -5.765 -4.276 1.00 0.00 C ATOM 657 CD1 PHE B 24 -1.138 -6.996 -4.853 1.00 0.00 C ATOM 658 CD2 PHE B 24 -1.475 -4.602 -5.057 1.00 0.00 C ATOM 659 CE1 PHE B 24 -0.805 -7.066 -6.211 1.00 0.00 C ATOM 660 CE2 PHE B 24 -1.140 -4.671 -6.416 1.00 0.00 C ATOM 661 CZ PHE B 24 -0.806 -5.903 -6.993 1.00 0.00 C ATOM 0 H PHE B 24 -3.358 -7.245 -4.415 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.423 -6.360 -1.547 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.684 -4.676 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.162 -6.336 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.136 -7.892 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.735 -3.653 -4.612 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.547 -8.016 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.139 -3.775 -7.018 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.549 -5.957 -8.041 1.00 0.00 H new ATOM 671 N PHE B 25 -4.823 -4.340 -2.046 1.00 0.00 N ATOM 672 CA PHE B 25 -5.769 -3.246 -2.383 1.00 0.00 C ATOM 673 C PHE B 25 -5.073 -1.891 -2.257 1.00 0.00 C ATOM 674 O PHE B 25 -4.416 -1.602 -1.276 1.00 0.00 O ATOM 675 CB PHE B 25 -6.966 -3.293 -1.431 1.00 0.00 C ATOM 676 CG PHE B 25 -6.485 -3.101 -0.013 1.00 0.00 C ATOM 677 CD1 PHE B 25 -6.366 -1.810 0.513 1.00 0.00 C ATOM 678 CD2 PHE B 25 -6.155 -4.213 0.773 1.00 0.00 C ATOM 679 CE1 PHE B 25 -5.917 -1.626 1.826 1.00 0.00 C ATOM 680 CE2 PHE B 25 -5.707 -4.029 2.088 1.00 0.00 C ATOM 681 CZ PHE B 25 -5.587 -2.737 2.614 1.00 0.00 C ATOM 0 H PHE B 25 -4.696 -4.517 -1.049 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.111 -3.377 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.683 -2.515 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.483 -4.248 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.621 -0.954 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.246 -5.209 0.366 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.825 -0.629 2.231 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.454 -4.885 2.696 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.240 -2.597 3.627 1.00 0.00 H new ATOM 691 N TYR B 26 -5.227 -1.055 -3.245 1.00 0.00 N ATOM 692 CA TYR B 26 -4.597 0.292 -3.200 1.00 0.00 C ATOM 693 C TYR B 26 -5.653 1.333 -3.596 1.00 0.00 C ATOM 694 O TYR B 26 -5.401 2.219 -4.389 1.00 0.00 O ATOM 695 CB TYR B 26 -3.411 0.329 -4.177 1.00 0.00 C ATOM 696 CG TYR B 26 -3.916 0.551 -5.583 1.00 0.00 C ATOM 697 CD1 TYR B 26 -4.711 -0.421 -6.204 1.00 0.00 C ATOM 698 CD2 TYR B 26 -3.608 1.739 -6.255 1.00 0.00 C ATOM 699 CE1 TYR B 26 -5.198 -0.205 -7.497 1.00 0.00 C ATOM 700 CE2 TYR B 26 -4.091 1.955 -7.550 1.00 0.00 C ATOM 701 CZ TYR B 26 -4.888 0.984 -8.173 1.00 0.00 C ATOM 702 OH TYR B 26 -5.367 1.198 -9.450 1.00 0.00 O ATOM 0 H TYR B 26 -5.767 -1.250 -4.088 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.228 0.512 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.722 1.126 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -2.854 -0.607 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.948 -1.337 -5.684 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.998 2.489 -5.774 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.813 -0.954 -7.975 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.850 2.870 -8.070 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.060 2.071 -9.772 1.00 0.00 H new ATOM 712 N THR B 27 -6.836 1.198 -3.054 1.00 0.00 N ATOM 713 CA THR B 27 -7.964 2.135 -3.375 1.00 0.00 C ATOM 714 C THR B 27 -7.447 3.517 -3.778 1.00 0.00 C ATOM 715 O THR B 27 -6.428 3.982 -3.307 1.00 0.00 O ATOM 716 CB THR B 27 -8.888 2.281 -2.157 1.00 0.00 C ATOM 717 OG1 THR B 27 -9.222 3.651 -1.969 1.00 0.00 O ATOM 718 CG2 THR B 27 -8.189 1.754 -0.903 1.00 0.00 C ATOM 0 H THR B 27 -7.076 0.463 -2.388 1.00 0.00 H new ATOM 0 HA THR B 27 -8.515 1.712 -4.215 1.00 0.00 H new ATOM 0 HB THR B 27 -9.796 1.704 -2.332 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.813 3.740 -1.192 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.852 1.862 -0.044 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.941 0.702 -1.040 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.275 2.323 -0.730 1.00 0.00 H new ATOM 726 N LYS B 28 -8.161 4.175 -4.647 1.00 0.00 N ATOM 727 CA LYS B 28 -7.739 5.532 -5.097 1.00 0.00 C ATOM 728 C LYS B 28 -8.315 6.582 -4.139 1.00 0.00 C ATOM 729 O LYS B 28 -9.129 6.264 -3.295 1.00 0.00 O ATOM 730 CB LYS B 28 -8.227 5.764 -6.544 1.00 0.00 C ATOM 731 CG LYS B 28 -9.651 6.349 -6.582 1.00 0.00 C ATOM 732 CD LYS B 28 -9.777 7.287 -7.784 1.00 0.00 C ATOM 733 CE LYS B 28 -10.399 6.534 -8.962 1.00 0.00 C ATOM 734 NZ LYS B 28 -9.675 6.886 -10.215 1.00 0.00 N ATOM 0 H LYS B 28 -9.024 3.830 -5.068 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.652 5.616 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.542 6.442 -7.054 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.207 4.821 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.385 5.546 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.859 6.891 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.394 8.147 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.796 7.671 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.346 5.459 -8.789 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.454 6.791 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.098 6.374 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.747 7.910 -10.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.674 6.620 -10.124 1.00 0.00 H new ATOM 748 N PRO B 29 -7.874 7.805 -4.298 1.00 0.00 N ATOM 749 CA PRO B 29 -8.331 8.924 -3.458 1.00 0.00 C ATOM 750 C PRO B 29 -9.698 9.419 -3.934 1.00 0.00 C ATOM 751 O PRO B 29 -10.315 8.833 -4.802 1.00 0.00 O ATOM 752 CB PRO B 29 -7.255 9.992 -3.671 1.00 0.00 C ATOM 753 CG PRO B 29 -6.572 9.662 -5.019 1.00 0.00 C ATOM 754 CD PRO B 29 -6.883 8.185 -5.324 1.00 0.00 C ATOM 0 HA PRO B 29 -8.454 8.656 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.696 10.989 -3.693 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.531 9.982 -2.856 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.949 10.308 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -5.496 9.826 -4.958 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.284 8.062 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -5.987 7.568 -5.260 1.00 0.00 H new ATOM 762 N THR B 30 -10.179 10.495 -3.375 1.00 0.00 N ATOM 763 CA THR B 30 -11.507 11.022 -3.797 1.00 0.00 C ATOM 764 C THR B 30 -11.499 12.550 -3.716 1.00 0.00 C ATOM 765 O THR B 30 -12.109 13.172 -4.570 1.00 0.00 O ATOM 766 CB THR B 30 -12.592 10.465 -2.874 1.00 0.00 C ATOM 767 OG1 THR B 30 -12.178 9.204 -2.367 1.00 0.00 O ATOM 768 CG2 THR B 30 -13.896 10.301 -3.657 1.00 0.00 C ATOM 769 OXT THR B 30 -10.883 13.072 -2.801 1.00 0.00 O ATOM 0 H THR B 30 -9.710 11.032 -2.645 1.00 0.00 H new ATOM 0 HA THR B 30 -11.711 10.716 -4.823 1.00 0.00 H new ATOM 0 HB THR B 30 -12.754 11.154 -2.045 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.871 8.846 -1.774 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.668 9.904 -2.998 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.212 11.270 -4.044 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.738 9.612 -4.487 1.00 0.00 H new TER 777 THR B 30