USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=11 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= -0.161 X(o=-0.16,f=0) USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0053 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.298 K(o=-0.3,f=-3!) USER MOD Single : A 18 ASN : amide:sc= 0.0599 X(o=0.06,f=0) USER MOD Single : A 19 TYR OH : rot -175:sc= -0.671 USER MOD Single : A 21 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.7!) USER MOD Single : B 1 PHE N :NH3+ 139:sc= 0.00446 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.8 X(o=-1.8,f=-2.3!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : B 5 HIS : no HD1:sc= -12.7! C(o=-13!,f=-11!) 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 150:sc= -0.593 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.101 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 9:sc= 0.447! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.535 4.881 5.177 1.00 0.00 N ATOM 2 CA GLY A 1 -0.816 6.125 4.655 1.00 0.00 C ATOM 3 C GLY A 1 0.605 6.019 4.218 1.00 0.00 C ATOM 4 O GLY A 1 1.467 6.725 4.701 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.511 5.128 5.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.548 4.151 4.436 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.036 4.517 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.391 6.505 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.862 6.882 5.438 1.00 0.00 H new ATOM 10 N ILE A 2 0.886 5.148 3.288 1.00 0.00 N ATOM 11 CA ILE A 2 2.284 5.002 2.799 1.00 0.00 C ATOM 12 C ILE A 2 2.368 5.619 1.407 1.00 0.00 C ATOM 13 O ILE A 2 3.336 6.261 1.047 1.00 0.00 O ATOM 14 CB ILE A 2 2.658 3.515 2.747 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.183 3.369 2.726 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.064 2.867 1.493 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.766 4.165 1.557 1.00 0.00 C ATOM 0 H ILE A 2 0.205 4.530 2.845 1.00 0.00 H new ATOM 0 HA ILE A 2 2.979 5.508 3.469 1.00 0.00 H new ATOM 0 HB ILE A 2 2.256 3.017 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.604 3.725 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.455 2.318 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.335 1.812 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.978 2.962 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.455 3.365 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.851 4.057 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.356 3.788 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.507 5.218 1.669 1.00 0.00 H new ATOM 29 N VAL A 3 1.340 5.427 0.630 1.00 0.00 N ATOM 30 CA VAL A 3 1.312 5.992 -0.741 1.00 0.00 C ATOM 31 C VAL A 3 1.868 7.420 -0.711 1.00 0.00 C ATOM 32 O VAL A 3 2.799 7.747 -1.420 1.00 0.00 O ATOM 33 CB VAL A 3 -0.142 5.991 -1.232 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.331 7.030 -2.335 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.488 4.603 -1.775 1.00 0.00 C ATOM 0 H VAL A 3 0.510 4.896 0.892 1.00 0.00 H new ATOM 0 HA VAL A 3 1.925 5.396 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.799 6.240 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.367 7.017 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.087 8.020 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.327 6.796 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.520 4.596 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.178 4.360 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.369 3.863 -0.984 1.00 0.00 H new ATOM 45 N GLU A 4 1.307 8.268 0.105 1.00 0.00 N ATOM 46 CA GLU A 4 1.808 9.669 0.180 1.00 0.00 C ATOM 47 C GLU A 4 3.164 9.690 0.888 1.00 0.00 C ATOM 48 O GLU A 4 4.082 10.363 0.471 1.00 0.00 O ATOM 49 CB GLU A 4 0.809 10.526 0.962 1.00 0.00 C ATOM 50 CG GLU A 4 -0.619 10.072 0.645 1.00 0.00 C ATOM 51 CD GLU A 4 -1.267 9.506 1.910 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.397 10.249 2.868 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.622 8.338 1.899 1.00 0.00 O ATOM 0 H GLU A 4 0.524 8.052 0.722 1.00 0.00 H new ATOM 0 HA GLU A 4 1.920 10.069 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.000 10.439 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.933 11.577 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.204 10.911 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.606 9.315 -0.139 1.00 0.00 H new ATOM 60 N GLN A 5 3.298 8.957 1.957 1.00 0.00 N ATOM 61 CA GLN A 5 4.597 8.938 2.692 1.00 0.00 C ATOM 62 C GLN A 5 5.749 8.719 1.707 1.00 0.00 C ATOM 63 O GLN A 5 6.840 9.217 1.897 1.00 0.00 O ATOM 64 CB GLN A 5 4.583 7.806 3.720 1.00 0.00 C ATOM 65 CG GLN A 5 5.434 8.203 4.929 1.00 0.00 C ATOM 66 CD GLN A 5 4.523 8.698 6.054 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.608 8.230 7.172 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.648 9.634 5.805 1.00 0.00 N ATOM 0 H GLN A 5 2.565 8.369 2.355 1.00 0.00 H new ATOM 0 HA GLN A 5 4.736 9.892 3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.560 7.599 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.971 6.890 3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.020 7.350 5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.141 8.984 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.576 10.028 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.037 9.972 6.549 1.00 0.00 H new ATOM 77 N CYS A 6 5.523 7.972 0.660 1.00 0.00 N ATOM 78 CA CYS A 6 6.615 7.719 -0.324 1.00 0.00 C ATOM 79 C CYS A 6 6.382 8.538 -1.594 1.00 0.00 C ATOM 80 O CYS A 6 7.297 8.796 -2.351 1.00 0.00 O ATOM 81 CB CYS A 6 6.643 6.232 -0.683 1.00 0.00 C ATOM 82 SG CYS A 6 7.933 5.399 0.275 1.00 0.00 S ATOM 0 H CYS A 6 4.631 7.527 0.444 1.00 0.00 H new ATOM 0 HA CYS A 6 7.566 8.012 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.673 5.780 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.831 6.109 -1.750 1.00 0.00 H new ATOM 87 N CYS A 7 5.171 8.940 -1.844 1.00 0.00 N ATOM 88 CA CYS A 7 4.898 9.731 -3.078 1.00 0.00 C ATOM 89 C CYS A 7 4.917 11.227 -2.753 1.00 0.00 C ATOM 90 O CYS A 7 5.223 12.049 -3.595 1.00 0.00 O ATOM 91 CB CYS A 7 3.533 9.335 -3.647 1.00 0.00 C ATOM 92 SG CYS A 7 3.546 9.540 -5.447 1.00 0.00 S ATOM 0 H CYS A 7 4.360 8.758 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 7 5.670 9.523 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.306 8.300 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.750 9.952 -3.206 1.00 0.00 H new ATOM 97 N THR A 8 4.607 11.589 -1.539 1.00 0.00 N ATOM 98 CA THR A 8 4.624 13.031 -1.164 1.00 0.00 C ATOM 99 C THR A 8 5.868 13.314 -0.319 1.00 0.00 C ATOM 100 O THR A 8 6.208 14.449 -0.051 1.00 0.00 O ATOM 101 CB THR A 8 3.358 13.372 -0.366 1.00 0.00 C ATOM 102 OG1 THR A 8 3.186 14.781 -0.338 1.00 0.00 O ATOM 103 CG2 THR A 8 3.480 12.845 1.068 1.00 0.00 C ATOM 0 H THR A 8 4.343 10.949 -0.790 1.00 0.00 H new ATOM 0 HA THR A 8 4.650 13.646 -2.064 1.00 0.00 H new ATOM 0 HB THR A 8 2.498 12.904 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.062 15.218 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.576 13.093 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.609 11.763 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.342 13.304 1.552 1.00 0.00 H new ATOM 111 N SER A 9 6.551 12.283 0.102 1.00 0.00 N ATOM 112 CA SER A 9 7.775 12.477 0.927 1.00 0.00 C ATOM 113 C SER A 9 8.732 11.308 0.684 1.00 0.00 C ATOM 114 O SER A 9 8.747 10.720 -0.379 1.00 0.00 O ATOM 115 CB SER A 9 7.389 12.525 2.406 1.00 0.00 C ATOM 116 OG SER A 9 8.043 13.623 3.028 1.00 0.00 O ATOM 0 H SER A 9 6.311 11.311 -0.092 1.00 0.00 H new ATOM 0 HA SER A 9 8.262 13.412 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.308 12.625 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.671 11.594 2.897 1.00 0.00 H new ATOM 0 HG SER A 9 7.796 13.657 3.976 1.00 0.00 H new ATOM 122 N ILE A 10 9.528 10.961 1.658 1.00 0.00 N ATOM 123 CA ILE A 10 10.477 9.827 1.473 1.00 0.00 C ATOM 124 C ILE A 10 10.264 8.794 2.580 1.00 0.00 C ATOM 125 O ILE A 10 9.819 9.116 3.665 1.00 0.00 O ATOM 126 CB ILE A 10 11.918 10.344 1.545 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.240 11.192 0.307 1.00 0.00 C ATOM 128 CG2 ILE A 10 12.878 9.158 1.612 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.580 12.565 0.447 1.00 0.00 C ATOM 0 H ILE A 10 9.562 11.413 2.572 1.00 0.00 H new ATOM 0 HA ILE A 10 10.299 9.368 0.501 1.00 0.00 H new ATOM 0 HB ILE A 10 12.030 10.962 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.319 11.304 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.880 10.693 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.904 9.523 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.660 8.563 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.756 8.541 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.807 13.169 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.500 12.443 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.961 13.063 1.339 1.00 0.00 H new ATOM 141 N CYS A 11 10.586 7.556 2.320 1.00 0.00 N ATOM 142 CA CYS A 11 10.408 6.507 3.367 1.00 0.00 C ATOM 143 C CYS A 11 11.708 5.713 3.511 1.00 0.00 C ATOM 144 O CYS A 11 12.593 5.798 2.685 1.00 0.00 O ATOM 145 CB CYS A 11 9.272 5.552 2.981 1.00 0.00 C ATOM 146 SG CYS A 11 8.024 6.433 2.007 1.00 0.00 S ATOM 0 H CYS A 11 10.963 7.225 1.432 1.00 0.00 H new ATOM 0 HA CYS A 11 10.157 6.990 4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.669 4.715 2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.816 5.135 3.879 1.00 0.00 H new ATOM 151 N SER A 12 11.830 4.941 4.557 1.00 0.00 N ATOM 152 CA SER A 12 13.074 4.145 4.751 1.00 0.00 C ATOM 153 C SER A 12 12.763 2.658 4.569 1.00 0.00 C ATOM 154 O SER A 12 11.673 2.203 4.856 1.00 0.00 O ATOM 155 CB SER A 12 13.618 4.385 6.160 1.00 0.00 C ATOM 156 OG SER A 12 12.532 4.533 7.065 1.00 0.00 O ATOM 0 H SER A 12 11.123 4.828 5.284 1.00 0.00 H new ATOM 0 HA SER A 12 13.819 4.451 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.249 3.551 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.242 5.279 6.174 1.00 0.00 H new ATOM 0 HG SER A 12 12.878 4.685 7.969 1.00 0.00 H new ATOM 162 N LEU A 13 13.711 1.896 4.093 1.00 0.00 N ATOM 163 CA LEU A 13 13.469 0.439 3.891 1.00 0.00 C ATOM 164 C LEU A 13 12.733 -0.126 5.107 1.00 0.00 C ATOM 165 O LEU A 13 11.742 -0.817 4.978 1.00 0.00 O ATOM 166 CB LEU A 13 14.808 -0.284 3.722 1.00 0.00 C ATOM 167 CG LEU A 13 15.364 -0.011 2.324 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.394 1.118 2.398 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.037 -1.276 1.788 1.00 0.00 C ATOM 0 H LEU A 13 14.643 2.220 3.835 1.00 0.00 H new ATOM 0 HA LEU A 13 12.863 0.291 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.515 0.056 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.675 -1.356 3.869 1.00 0.00 H new ATOM 0 HG LEU A 13 14.550 0.279 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.791 1.314 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.918 2.020 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.207 0.826 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.434 -1.083 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.851 -1.565 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.306 -2.083 1.737 1.00 0.00 H new ATOM 181 N TYR A 14 13.203 0.167 6.289 1.00 0.00 N ATOM 182 CA TYR A 14 12.520 -0.352 7.507 1.00 0.00 C ATOM 183 C TYR A 14 11.020 -0.091 7.375 1.00 0.00 C ATOM 184 O TYR A 14 10.206 -0.976 7.552 1.00 0.00 O ATOM 185 CB TYR A 14 13.062 0.368 8.744 1.00 0.00 C ATOM 186 CG TYR A 14 12.525 -0.290 9.993 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.959 -1.575 10.350 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.597 0.383 10.798 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.464 -2.184 11.511 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.102 -0.226 11.958 1.00 0.00 C ATOM 191 CZ TYR A 14 11.534 -1.511 12.315 1.00 0.00 C ATOM 192 OH TYR A 14 11.048 -2.111 13.458 1.00 0.00 O ATOM 0 H TYR A 14 14.028 0.741 6.463 1.00 0.00 H new ATOM 0 HA TYR A 14 12.703 -1.422 7.610 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.152 0.338 8.746 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.772 1.418 8.721 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.675 -2.095 9.730 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.263 1.373 10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.799 -3.173 11.786 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.387 0.295 12.578 1.00 0.00 H new ATOM 0 HH TYR A 14 10.414 -1.508 13.899 1.00 0.00 H new ATOM 202 N GLN A 15 10.648 1.118 7.054 1.00 0.00 N ATOM 203 CA GLN A 15 9.202 1.434 6.897 1.00 0.00 C ATOM 204 C GLN A 15 8.667 0.721 5.656 1.00 0.00 C ATOM 205 O GLN A 15 7.565 0.212 5.644 1.00 0.00 O ATOM 206 CB GLN A 15 9.018 2.947 6.730 1.00 0.00 C ATOM 207 CG GLN A 15 8.996 3.614 8.107 1.00 0.00 C ATOM 208 CD GLN A 15 7.556 3.684 8.619 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.626 3.395 7.892 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.330 4.057 9.849 1.00 0.00 N ATOM 0 H GLN A 15 11.283 1.900 6.894 1.00 0.00 H new ATOM 0 HA GLN A 15 8.659 1.100 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.828 3.358 6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.089 3.155 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.614 3.050 8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.420 4.616 8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.110 4.300 10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.373 4.106 10.200 1.00 0.00 H new ATOM 219 N LEU A 16 9.445 0.681 4.608 1.00 0.00 N ATOM 220 CA LEU A 16 8.993 0.005 3.361 1.00 0.00 C ATOM 221 C LEU A 16 8.888 -1.500 3.603 1.00 0.00 C ATOM 222 O LEU A 16 8.100 -2.188 2.985 1.00 0.00 O ATOM 223 CB LEU A 16 10.005 0.278 2.245 1.00 0.00 C ATOM 224 CG LEU A 16 9.271 0.783 1.002 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.435 2.300 0.890 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.858 0.117 -0.244 1.00 0.00 C ATOM 0 H LEU A 16 10.378 1.090 4.563 1.00 0.00 H new ATOM 0 HA LEU A 16 8.016 0.390 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.735 1.017 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.557 -0.632 2.010 1.00 0.00 H new ATOM 0 HG LEU A 16 8.212 0.537 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.911 2.658 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.017 2.778 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.494 2.547 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.335 0.477 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.917 0.363 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.741 -0.964 -0.168 1.00 0.00 H new ATOM 238 N GLU A 17 9.674 -2.017 4.502 1.00 0.00 N ATOM 239 CA GLU A 17 9.619 -3.479 4.785 1.00 0.00 C ATOM 240 C GLU A 17 8.424 -3.774 5.688 1.00 0.00 C ATOM 241 O GLU A 17 7.972 -4.897 5.791 1.00 0.00 O ATOM 242 CB GLU A 17 10.909 -3.923 5.478 1.00 0.00 C ATOM 243 CG GLU A 17 12.083 -3.796 4.507 1.00 0.00 C ATOM 244 CD GLU A 17 13.313 -4.488 5.100 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.210 -5.660 5.423 1.00 0.00 O ATOM 246 OE2 GLU A 17 14.336 -3.835 5.219 1.00 0.00 O ATOM 0 H GLU A 17 10.353 -1.492 5.054 1.00 0.00 H new ATOM 0 HA GLU A 17 9.512 -4.025 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.088 -3.311 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.815 -4.954 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.826 -4.246 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.300 -2.745 4.317 1.00 0.00 H new ATOM 253 N ASN A 18 7.895 -2.770 6.327 1.00 0.00 N ATOM 254 CA ASN A 18 6.714 -2.987 7.203 1.00 0.00 C ATOM 255 C ASN A 18 5.473 -3.149 6.325 1.00 0.00 C ATOM 256 O ASN A 18 4.370 -3.305 6.810 1.00 0.00 O ATOM 257 CB ASN A 18 6.532 -1.770 8.112 1.00 0.00 C ATOM 258 CG ASN A 18 7.116 -2.071 9.494 1.00 0.00 C ATOM 259 OD1 ASN A 18 6.418 -2.019 10.486 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.379 -2.387 9.602 1.00 0.00 N ATOM 0 H ASN A 18 8.230 -1.808 6.280 1.00 0.00 H new ATOM 0 HA ASN A 18 6.859 -3.880 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.027 -0.902 7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.474 -1.523 8.199 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.777 -2.590 10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.967 -2.431 8.769 1.00 0.00 H new ATOM 267 N TYR A 19 5.646 -3.101 5.031 1.00 0.00 N ATOM 268 CA TYR A 19 4.489 -3.235 4.115 1.00 0.00 C ATOM 269 C TYR A 19 4.511 -4.616 3.459 1.00 0.00 C ATOM 270 O TYR A 19 3.563 -5.025 2.818 1.00 0.00 O ATOM 271 CB TYR A 19 4.598 -2.146 3.054 1.00 0.00 C ATOM 272 CG TYR A 19 4.411 -0.800 3.721 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.119 -0.306 3.968 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.529 -0.050 4.109 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.953 0.935 4.597 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.360 1.189 4.739 1.00 0.00 C ATOM 277 CZ TYR A 19 4.073 1.682 4.982 1.00 0.00 C ATOM 278 OH TYR A 19 3.908 2.903 5.603 1.00 0.00 O ATOM 0 H TYR A 19 6.548 -2.974 4.571 1.00 0.00 H new ATOM 0 HA TYR A 19 3.553 -3.129 4.663 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.570 -2.193 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.843 -2.294 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.255 -0.882 3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.523 -0.428 3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.960 1.316 4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.224 1.765 5.038 1.00 0.00 H new ATOM 0 HH TYR A 19 4.783 3.325 5.732 1.00 0.00 H new ATOM 288 N CYS A 20 5.583 -5.341 3.620 1.00 0.00 N ATOM 289 CA CYS A 20 5.657 -6.696 3.012 1.00 0.00 C ATOM 290 C CYS A 20 4.917 -7.687 3.915 1.00 0.00 C ATOM 291 O CYS A 20 4.699 -7.431 5.082 1.00 0.00 O ATOM 292 CB CYS A 20 7.119 -7.126 2.882 1.00 0.00 C ATOM 293 SG CYS A 20 8.152 -5.705 2.440 1.00 0.00 S ATOM 0 H CYS A 20 6.409 -5.053 4.145 1.00 0.00 H new ATOM 0 HA CYS A 20 5.199 -6.678 2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.464 -7.557 3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.211 -7.902 2.122 1.00 0.00 H new ATOM 298 N ASN A 21 4.529 -8.816 3.388 1.00 0.00 N ATOM 299 CA ASN A 21 3.805 -9.815 4.225 1.00 0.00 C ATOM 300 C ASN A 21 4.770 -10.928 4.640 1.00 0.00 C ATOM 301 O ASN A 21 4.304 -12.028 4.883 1.00 0.00 O ATOM 302 CB ASN A 21 2.650 -10.415 3.423 1.00 0.00 C ATOM 303 CG ASN A 21 1.374 -10.387 4.265 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.245 -9.584 5.168 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.418 -11.238 4.007 1.00 0.00 N ATOM 306 OXT ASN A 21 5.958 -10.659 4.707 1.00 0.00 O ATOM 0 H ASN A 21 4.681 -9.090 2.417 1.00 0.00 H new ATOM 0 HA ASN A 21 3.411 -9.324 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.502 -9.852 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.886 -11.440 3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.437 -11.229 4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.526 -11.912 3.249 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 20.354 2.203 -2.042 1.00 0.00 N ATOM 315 CA PHE B 1 19.015 2.791 -1.753 1.00 0.00 C ATOM 316 C PHE B 1 19.149 3.855 -0.662 1.00 0.00 C ATOM 317 O PHE B 1 19.793 3.644 0.347 1.00 0.00 O ATOM 318 CB PHE B 1 18.067 1.689 -1.276 1.00 0.00 C ATOM 319 CG PHE B 1 17.285 1.154 -2.452 1.00 0.00 C ATOM 320 CD1 PHE B 1 16.371 1.979 -3.119 1.00 0.00 C ATOM 321 CD2 PHE B 1 17.473 -0.169 -2.875 1.00 0.00 C ATOM 322 CE1 PHE B 1 15.645 1.483 -4.209 1.00 0.00 C ATOM 323 CE2 PHE B 1 16.748 -0.665 -3.965 1.00 0.00 C ATOM 324 CZ PHE B 1 15.834 0.160 -4.633 1.00 0.00 C ATOM 0 H1 PHE B 1 20.262 1.175 -2.168 1.00 0.00 H new ATOM 0 H2 PHE B 1 20.738 2.626 -2.911 1.00 0.00 H new ATOM 0 H3 PHE B 1 20.997 2.398 -1.248 1.00 0.00 H new ATOM 0 HA PHE B 1 18.616 3.248 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE B 1 18.634 0.885 -0.806 1.00 0.00 H new ATOM 0 HB3 PHE B 1 17.386 2.082 -0.521 1.00 0.00 H new ATOM 0 HD1 PHE B 1 16.226 2.998 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE B 1 18.177 -0.806 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.940 2.119 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE B 1 16.893 -1.684 -4.291 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.275 -0.223 -5.474 1.00 0.00 H new ATOM 336 N VAL B 2 18.549 4.997 -0.854 1.00 0.00 N ATOM 337 CA VAL B 2 18.646 6.070 0.175 1.00 0.00 C ATOM 338 C VAL B 2 17.343 6.871 0.200 1.00 0.00 C ATOM 339 O VAL B 2 16.399 6.561 -0.499 1.00 0.00 O ATOM 340 CB VAL B 2 19.813 6.998 -0.167 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.113 6.405 0.381 1.00 0.00 C ATOM 342 CG2 VAL B 2 19.920 7.141 -1.687 1.00 0.00 C ATOM 0 H VAL B 2 17.996 5.234 -1.678 1.00 0.00 H new ATOM 0 HA VAL B 2 18.814 5.623 1.155 1.00 0.00 H new ATOM 0 HB VAL B 2 19.643 7.977 0.280 1.00 0.00 H new ATOM 0 HG11 VAL B 2 21.945 7.066 0.138 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.037 6.300 1.463 1.00 0.00 H new ATOM 0 HG13 VAL B 2 21.284 5.426 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL B 2 20.751 7.802 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL B 2 20.091 6.161 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL B 2 18.994 7.562 -2.079 1.00 0.00 H new ATOM 352 N ASN B 3 17.283 7.900 1.002 1.00 0.00 N ATOM 353 CA ASN B 3 16.040 8.719 1.071 1.00 0.00 C ATOM 354 C ASN B 3 15.519 8.973 -0.343 1.00 0.00 C ATOM 355 O ASN B 3 16.136 9.660 -1.130 1.00 0.00 O ATOM 356 CB ASN B 3 16.345 10.054 1.754 1.00 0.00 C ATOM 357 CG ASN B 3 17.685 10.591 1.248 1.00 0.00 C ATOM 358 OD1 ASN B 3 18.080 10.317 0.131 1.00 0.00 O ATOM 359 ND2 ASN B 3 18.406 11.352 2.026 1.00 0.00 N ATOM 0 H ASN B 3 18.041 8.208 1.612 1.00 0.00 H new ATOM 0 HA ASN B 3 15.283 8.185 1.645 1.00 0.00 H new ATOM 0 HB2 ASN B 3 15.551 10.771 1.545 1.00 0.00 H new ATOM 0 HB3 ASN B 3 16.379 9.922 2.835 1.00 0.00 H new ATOM 0 HD21 ASN B 3 19.300 11.716 1.697 1.00 0.00 H new ATOM 0 HD22 ASN B 3 18.075 11.582 2.963 1.00 0.00 H new ATOM 366 N GLN B 4 14.389 8.409 -0.670 1.00 0.00 N ATOM 367 CA GLN B 4 13.828 8.601 -2.031 1.00 0.00 C ATOM 368 C GLN B 4 12.296 8.589 -1.971 1.00 0.00 C ATOM 369 O GLN B 4 11.702 8.201 -0.980 1.00 0.00 O ATOM 370 CB GLN B 4 14.315 7.459 -2.915 1.00 0.00 C ATOM 371 CG GLN B 4 13.508 7.425 -4.216 1.00 0.00 C ATOM 372 CD GLN B 4 14.079 6.351 -5.144 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.761 5.449 -4.699 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.831 6.412 -6.423 1.00 0.00 N ATOM 0 H GLN B 4 13.831 7.823 -0.050 1.00 0.00 H new ATOM 0 HA GLN B 4 14.154 9.559 -2.437 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.374 7.586 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.212 6.510 -2.388 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.460 7.215 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.544 8.399 -4.704 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.258 7.169 -6.796 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.210 5.702 -7.050 1.00 0.00 H new ATOM 383 N HIS B 5 11.656 9.012 -3.029 1.00 0.00 N ATOM 384 CA HIS B 5 10.170 9.030 -3.052 1.00 0.00 C ATOM 385 C HIS B 5 9.659 7.880 -3.924 1.00 0.00 C ATOM 386 O HIS B 5 10.130 7.667 -5.023 1.00 0.00 O ATOM 387 CB HIS B 5 9.682 10.355 -3.644 1.00 0.00 C ATOM 388 CG HIS B 5 10.446 11.504 -3.046 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.797 12.632 -2.587 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.787 11.696 -2.850 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.747 13.464 -2.135 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.979 12.934 -2.275 1.00 0.00 N ATOM 0 H HIS B 5 12.104 9.347 -3.882 1.00 0.00 H new ATOM 0 HA HIS B 5 9.794 8.920 -2.035 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.811 10.347 -4.726 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.616 10.478 -3.451 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.567 10.993 -3.104 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.550 14.438 -1.711 1.00 0.00 H new ATOM 0 HE2 HIS B 5 12.867 13.360 -2.011 1.00 0.00 H new ATOM 400 N LEU B 6 8.694 7.143 -3.448 1.00 0.00 N ATOM 401 CA LEU B 6 8.147 6.018 -4.253 1.00 0.00 C ATOM 402 C LEU B 6 6.665 6.286 -4.540 1.00 0.00 C ATOM 403 O LEU B 6 6.040 7.097 -3.886 1.00 0.00 O ATOM 404 CB LEU B 6 8.309 4.710 -3.472 1.00 0.00 C ATOM 405 CG LEU B 6 9.686 4.099 -3.762 1.00 0.00 C ATOM 406 CD1 LEU B 6 10.758 5.195 -3.772 1.00 0.00 C ATOM 407 CD2 LEU B 6 10.026 3.078 -2.676 1.00 0.00 C ATOM 0 H LEU B 6 8.260 7.273 -2.534 1.00 0.00 H new ATOM 0 HA LEU B 6 8.686 5.934 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.202 4.898 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.523 4.009 -3.752 1.00 0.00 H new ATOM 0 HG LEU B 6 9.660 3.613 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU B 6 11.731 4.750 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU B 6 10.522 5.927 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.783 5.688 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU B 6 11.004 2.642 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.044 3.572 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.272 2.290 -2.668 1.00 0.00 H new ATOM 419 N CYS B 7 6.101 5.626 -5.516 1.00 0.00 N ATOM 420 CA CYS B 7 4.663 5.867 -5.842 1.00 0.00 C ATOM 421 C CYS B 7 4.050 4.622 -6.494 1.00 0.00 C ATOM 422 O CYS B 7 4.509 4.158 -7.518 1.00 0.00 O ATOM 423 CB CYS B 7 4.555 7.039 -6.823 1.00 0.00 C ATOM 424 SG CYS B 7 5.197 8.543 -6.051 1.00 0.00 S ATOM 0 H CYS B 7 6.570 4.933 -6.100 1.00 0.00 H new ATOM 0 HA CYS B 7 4.127 6.094 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.115 6.818 -7.732 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.516 7.185 -7.117 1.00 0.00 H new ATOM 429 N GLY B 8 3.002 4.098 -5.914 1.00 0.00 N ATOM 430 CA GLY B 8 2.326 2.897 -6.494 1.00 0.00 C ATOM 431 C GLY B 8 3.350 1.932 -7.097 1.00 0.00 C ATOM 432 O GLY B 8 4.112 1.301 -6.393 1.00 0.00 O ATOM 0 H GLY B 8 2.581 4.453 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.753 2.388 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.618 3.209 -7.262 1.00 0.00 H new ATOM 436 N SER B 9 3.359 1.807 -8.399 1.00 0.00 N ATOM 437 CA SER B 9 4.319 0.877 -9.062 1.00 0.00 C ATOM 438 C SER B 9 5.679 0.969 -8.374 1.00 0.00 C ATOM 439 O SER B 9 6.092 0.055 -7.698 1.00 0.00 O ATOM 440 CB SER B 9 4.463 1.252 -10.537 1.00 0.00 C ATOM 441 OG SER B 9 5.598 0.592 -11.081 1.00 0.00 O ATOM 0 H SER B 9 2.740 2.312 -9.033 1.00 0.00 H new ATOM 0 HA SER B 9 3.944 -0.144 -8.985 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.565 0.968 -11.086 1.00 0.00 H new ATOM 0 HB3 SER B 9 4.571 2.332 -10.641 1.00 0.00 H new ATOM 0 HG SER B 9 5.692 0.829 -12.027 1.00 0.00 H new ATOM 447 N ASP B 10 6.377 2.064 -8.524 1.00 0.00 N ATOM 448 CA ASP B 10 7.703 2.185 -7.852 1.00 0.00 C ATOM 449 C ASP B 10 7.557 1.707 -6.408 1.00 0.00 C ATOM 450 O ASP B 10 8.424 1.051 -5.867 1.00 0.00 O ATOM 451 CB ASP B 10 8.161 3.645 -7.870 1.00 0.00 C ATOM 452 CG ASP B 10 8.605 4.022 -9.284 1.00 0.00 C ATOM 453 OD1 ASP B 10 8.091 3.434 -10.221 1.00 0.00 O ATOM 454 OD2 ASP B 10 9.449 4.894 -9.406 1.00 0.00 O ATOM 0 H ASP B 10 6.090 2.872 -9.077 1.00 0.00 H new ATOM 0 HA ASP B 10 8.444 1.579 -8.374 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.349 4.296 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.983 3.788 -7.169 1.00 0.00 H new ATOM 459 N LEU B 11 6.445 2.007 -5.789 1.00 0.00 N ATOM 460 CA LEU B 11 6.225 1.544 -4.392 1.00 0.00 C ATOM 461 C LEU B 11 6.117 0.022 -4.407 1.00 0.00 C ATOM 462 O LEU B 11 6.790 -0.670 -3.669 1.00 0.00 O ATOM 463 CB LEU B 11 4.928 2.147 -3.844 1.00 0.00 C ATOM 464 CG LEU B 11 5.248 3.342 -2.945 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.954 3.878 -2.333 1.00 0.00 C ATOM 466 CD2 LEU B 11 6.193 2.897 -1.827 1.00 0.00 C ATOM 0 H LEU B 11 5.682 2.552 -6.192 1.00 0.00 H new ATOM 0 HA LEU B 11 7.053 1.859 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.287 2.462 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.377 1.394 -3.280 1.00 0.00 H new ATOM 0 HG LEU B 11 5.724 4.125 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.180 4.730 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.278 4.192 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.479 3.095 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.423 3.747 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.715 2.115 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.115 2.511 -2.262 1.00 0.00 H new ATOM 478 N VAL B 12 5.292 -0.504 -5.270 1.00 0.00 N ATOM 479 CA VAL B 12 5.156 -1.979 -5.369 1.00 0.00 C ATOM 480 C VAL B 12 6.451 -2.533 -5.973 1.00 0.00 C ATOM 481 O VAL B 12 6.727 -3.716 -5.921 1.00 0.00 O ATOM 482 CB VAL B 12 3.944 -2.325 -6.262 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.911 -1.204 -6.195 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.374 -2.517 -7.721 1.00 0.00 C ATOM 0 H VAL B 12 4.705 0.029 -5.912 1.00 0.00 H new ATOM 0 HA VAL B 12 4.991 -2.422 -4.387 1.00 0.00 H new ATOM 0 HB VAL B 12 3.511 -3.255 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.060 -1.456 -6.827 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.575 -1.080 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.360 -0.274 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.502 -2.760 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.829 -1.598 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.097 -3.330 -7.783 1.00 0.00 H new ATOM 494 N GLU B 13 7.241 -1.667 -6.546 1.00 0.00 N ATOM 495 CA GLU B 13 8.519 -2.090 -7.164 1.00 0.00 C ATOM 496 C GLU B 13 9.604 -2.074 -6.090 1.00 0.00 C ATOM 497 O GLU B 13 10.280 -3.058 -5.867 1.00 0.00 O ATOM 498 CB GLU B 13 8.858 -1.110 -8.286 1.00 0.00 C ATOM 499 CG GLU B 13 8.557 -1.763 -9.635 1.00 0.00 C ATOM 500 CD GLU B 13 8.996 -0.831 -10.765 1.00 0.00 C ATOM 501 OE1 GLU B 13 9.852 0.003 -10.520 1.00 0.00 O ATOM 502 OE2 GLU B 13 8.469 -0.966 -11.858 1.00 0.00 O ATOM 0 H GLU B 13 7.047 -0.668 -6.610 1.00 0.00 H new ATOM 0 HA GLU B 13 8.444 -3.095 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.276 -0.195 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.909 -0.827 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.079 -2.717 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.491 -1.975 -9.718 1.00 0.00 H new ATOM 509 N ALA B 14 9.754 -0.979 -5.391 1.00 0.00 N ATOM 510 CA ALA B 14 10.771 -0.946 -4.309 1.00 0.00 C ATOM 511 C ALA B 14 10.365 -2.003 -3.289 1.00 0.00 C ATOM 512 O ALA B 14 11.169 -2.792 -2.835 1.00 0.00 O ATOM 513 CB ALA B 14 10.794 0.435 -3.650 1.00 0.00 C ATOM 0 H ALA B 14 9.222 -0.119 -5.523 1.00 0.00 H new ATOM 0 HA ALA B 14 11.767 -1.145 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.543 0.448 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA B 14 11.042 1.190 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.814 0.652 -3.226 1.00 0.00 H new ATOM 519 N LEU B 15 9.100 -2.048 -2.963 1.00 0.00 N ATOM 520 CA LEU B 15 8.607 -3.074 -2.018 1.00 0.00 C ATOM 521 C LEU B 15 8.895 -4.436 -2.638 1.00 0.00 C ATOM 522 O LEU B 15 9.354 -5.355 -1.990 1.00 0.00 O ATOM 523 CB LEU B 15 7.101 -2.894 -1.845 1.00 0.00 C ATOM 524 CG LEU B 15 6.829 -1.795 -0.819 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.535 -1.065 -1.183 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.685 -2.420 0.567 1.00 0.00 C ATOM 0 H LEU B 15 8.387 -1.410 -3.317 1.00 0.00 H new ATOM 0 HA LEU B 15 9.091 -2.988 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.644 -2.635 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.648 -3.830 -1.518 1.00 0.00 H new ATOM 0 HG LEU B 15 7.658 -1.087 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.341 -0.281 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.634 -0.620 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.706 -1.773 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU B 15 6.491 -1.638 1.301 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.856 -3.127 0.563 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.606 -2.942 0.828 1.00 0.00 H new ATOM 538 N TYR B 16 8.642 -4.548 -3.911 1.00 0.00 N ATOM 539 CA TYR B 16 8.904 -5.818 -4.638 1.00 0.00 C ATOM 540 C TYR B 16 10.298 -6.333 -4.286 1.00 0.00 C ATOM 541 O TYR B 16 10.489 -7.483 -3.949 1.00 0.00 O ATOM 542 CB TYR B 16 8.871 -5.525 -6.134 1.00 0.00 C ATOM 543 CG TYR B 16 7.783 -6.330 -6.796 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.662 -7.699 -6.528 1.00 0.00 C ATOM 545 CD2 TYR B 16 6.893 -5.708 -7.681 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.649 -8.447 -7.143 1.00 0.00 C ATOM 547 CE2 TYR B 16 5.880 -6.455 -8.298 1.00 0.00 C ATOM 548 CZ TYR B 16 5.759 -7.825 -8.029 1.00 0.00 C ATOM 549 OH TYR B 16 4.762 -8.562 -8.636 1.00 0.00 O ATOM 0 H TYR B 16 8.258 -3.799 -4.487 1.00 0.00 H new ATOM 0 HA TYR B 16 8.155 -6.561 -4.364 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.699 -4.462 -6.300 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.835 -5.766 -6.581 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.350 -8.179 -5.847 1.00 0.00 H new ATOM 0 HD2 TYR B 16 6.987 -4.652 -7.888 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.554 -9.502 -6.934 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.194 -5.975 -8.980 1.00 0.00 H new ATOM 0 HH TYR B 16 4.233 -7.979 -9.219 1.00 0.00 H new ATOM 559 N LEU B 17 11.274 -5.481 -4.392 1.00 0.00 N ATOM 560 CA LEU B 17 12.673 -5.887 -4.099 1.00 0.00 C ATOM 561 C LEU B 17 12.850 -6.153 -2.599 1.00 0.00 C ATOM 562 O LEU B 17 13.286 -7.214 -2.196 1.00 0.00 O ATOM 563 CB LEU B 17 13.601 -4.751 -4.530 1.00 0.00 C ATOM 564 CG LEU B 17 14.976 -5.300 -4.925 1.00 0.00 C ATOM 565 CD1 LEU B 17 15.385 -6.434 -3.978 1.00 0.00 C ATOM 566 CD2 LEU B 17 14.911 -5.829 -6.357 1.00 0.00 C ATOM 0 H LEU B 17 11.161 -4.507 -4.673 1.00 0.00 H new ATOM 0 HA LEU B 17 12.911 -6.802 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.162 -4.215 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.710 -4.034 -3.716 1.00 0.00 H new ATOM 0 HG LEU B 17 15.715 -4.501 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU B 17 16.364 -6.816 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU B 17 15.432 -6.056 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.651 -7.238 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU B 17 15.886 -6.221 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU B 17 14.168 -6.624 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU B 17 14.632 -5.020 -7.032 1.00 0.00 H new ATOM 578 N VAL B 18 12.533 -5.195 -1.774 1.00 0.00 N ATOM 579 CA VAL B 18 12.701 -5.393 -0.299 1.00 0.00 C ATOM 580 C VAL B 18 11.788 -6.518 0.194 1.00 0.00 C ATOM 581 O VAL B 18 12.130 -7.254 1.099 1.00 0.00 O ATOM 582 CB VAL B 18 12.352 -4.108 0.455 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.600 -3.232 0.577 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.261 -3.339 -0.291 1.00 0.00 C ATOM 0 H VAL B 18 12.166 -4.285 -2.051 1.00 0.00 H new ATOM 0 HA VAL B 18 13.742 -5.656 -0.110 1.00 0.00 H new ATOM 0 HB VAL B 18 11.987 -4.368 1.449 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.351 -2.317 1.114 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.373 -3.774 1.122 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.967 -2.980 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL B 18 11.021 -2.427 0.255 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.615 -3.082 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.368 -3.959 -0.371 1.00 0.00 H new ATOM 594 N CYS B 19 10.634 -6.662 -0.391 1.00 0.00 N ATOM 595 CA CYS B 19 9.709 -7.741 0.047 1.00 0.00 C ATOM 596 C CYS B 19 9.986 -8.977 -0.799 1.00 0.00 C ATOM 597 O CYS B 19 10.366 -10.018 -0.301 1.00 0.00 O ATOM 598 CB CYS B 19 8.262 -7.293 -0.166 1.00 0.00 C ATOM 599 SG CYS B 19 8.052 -5.591 0.423 1.00 0.00 S ATOM 0 H CYS B 19 10.291 -6.079 -1.154 1.00 0.00 H new ATOM 0 HA CYS B 19 9.861 -7.962 1.104 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.004 -7.356 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.583 -7.958 0.368 1.00 0.00 H new ATOM 604 N GLY B 20 9.815 -8.855 -2.081 1.00 0.00 N ATOM 605 CA GLY B 20 10.082 -9.999 -2.984 1.00 0.00 C ATOM 606 C GLY B 20 9.181 -11.181 -2.617 1.00 0.00 C ATOM 607 O GLY B 20 7.970 -11.075 -2.616 1.00 0.00 O ATOM 0 H GLY B 20 9.499 -8.003 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.905 -9.705 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.129 -10.293 -2.911 1.00 0.00 H new ATOM 611 N GLU B 21 9.764 -12.308 -2.310 1.00 0.00 N ATOM 612 CA GLU B 21 8.948 -13.501 -1.949 1.00 0.00 C ATOM 613 C GLU B 21 8.083 -13.189 -0.727 1.00 0.00 C ATOM 614 O GLU B 21 7.153 -13.906 -0.414 1.00 0.00 O ATOM 615 CB GLU B 21 9.877 -14.672 -1.628 1.00 0.00 C ATOM 616 CG GLU B 21 10.831 -14.269 -0.502 1.00 0.00 C ATOM 617 CD GLU B 21 11.243 -15.512 0.289 1.00 0.00 C ATOM 618 OE1 GLU B 21 10.361 -16.202 0.772 1.00 0.00 O ATOM 619 OE2 GLU B 21 12.434 -15.752 0.398 1.00 0.00 O ATOM 0 H GLU B 21 10.773 -12.454 -2.294 1.00 0.00 H new ATOM 0 HA GLU B 21 8.303 -13.762 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU B 21 9.293 -15.543 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.443 -14.955 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU B 21 11.713 -13.780 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.347 -13.549 0.158 1.00 0.00 H new ATOM 626 N ARG B 22 8.378 -12.125 -0.033 1.00 0.00 N ATOM 627 CA ARG B 22 7.569 -11.773 1.169 1.00 0.00 C ATOM 628 C ARG B 22 6.147 -11.411 0.737 1.00 0.00 C ATOM 629 O ARG B 22 5.260 -11.261 1.554 1.00 0.00 O ATOM 630 CB ARG B 22 8.206 -10.575 1.879 1.00 0.00 C ATOM 631 CG ARG B 22 8.917 -11.051 3.149 1.00 0.00 C ATOM 632 CD ARG B 22 9.837 -12.226 2.814 1.00 0.00 C ATOM 633 NE ARG B 22 10.839 -12.399 3.904 1.00 0.00 N ATOM 634 CZ ARG B 22 11.345 -13.578 4.143 1.00 0.00 C ATOM 635 NH1 ARG B 22 11.931 -14.243 3.185 1.00 0.00 N ATOM 636 NH2 ARG B 22 11.266 -14.091 5.341 1.00 0.00 N ATOM 0 H ARG B 22 9.143 -11.484 -0.245 1.00 0.00 H new ATOM 0 HA ARG B 22 7.538 -12.625 1.849 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.916 -10.081 1.216 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.442 -9.840 2.131 1.00 0.00 H new ATOM 0 HG2 ARG B 22 9.496 -10.235 3.581 1.00 0.00 H new ATOM 0 HG3 ARG B 22 8.184 -11.352 3.897 1.00 0.00 H new ATOM 0 HD2 ARG B 22 9.252 -13.138 2.696 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.343 -12.047 1.865 1.00 0.00 H new ATOM 0 HE ARG B 22 11.129 -11.596 4.463 1.00 0.00 H new ATOM 0 HH11 ARG B 22 11.994 -13.841 2.250 1.00 0.00 H new ATOM 0 HH12 ARG B 22 12.327 -15.164 3.372 1.00 0.00 H new ATOM 0 HH21 ARG B 22 10.809 -13.570 6.090 1.00 0.00 H new ATOM 0 HH22 ARG B 22 11.661 -15.012 5.528 1.00 0.00 H new ATOM 650 N GLY B 23 5.920 -11.272 -0.540 1.00 0.00 N ATOM 651 CA GLY B 23 4.554 -10.922 -1.021 1.00 0.00 C ATOM 652 C GLY B 23 4.103 -9.611 -0.373 1.00 0.00 C ATOM 653 O GLY B 23 3.464 -9.606 0.660 1.00 0.00 O ATOM 0 H GLY B 23 6.622 -11.386 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.554 -10.822 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY B 23 3.855 -11.721 -0.775 1.00 0.00 H new ATOM 657 N PHE B 24 4.431 -8.499 -0.972 1.00 0.00 N ATOM 658 CA PHE B 24 4.021 -7.189 -0.389 1.00 0.00 C ATOM 659 C PHE B 24 2.605 -6.844 -0.854 1.00 0.00 C ATOM 660 O PHE B 24 2.146 -7.316 -1.876 1.00 0.00 O ATOM 661 CB PHE B 24 4.998 -6.103 -0.851 1.00 0.00 C ATOM 662 CG PHE B 24 4.756 -5.789 -2.308 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.743 -4.894 -2.672 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.542 -6.399 -3.296 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.515 -4.605 -4.023 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.314 -6.110 -4.649 1.00 0.00 C ATOM 667 CZ PHE B 24 4.300 -5.214 -5.012 1.00 0.00 C ATOM 0 H PHE B 24 4.965 -8.440 -1.839 1.00 0.00 H new ATOM 0 HA PHE B 24 4.035 -7.250 0.699 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.869 -5.204 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.025 -6.439 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE B 24 3.137 -4.426 -1.910 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.322 -7.091 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.735 -3.913 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.920 -6.578 -5.411 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.123 -4.992 -6.054 1.00 0.00 H new ATOM 677 N PHE B 25 1.906 -6.028 -0.111 1.00 0.00 N ATOM 678 CA PHE B 25 0.519 -5.660 -0.516 1.00 0.00 C ATOM 679 C PHE B 25 0.401 -4.138 -0.628 1.00 0.00 C ATOM 680 O PHE B 25 -0.123 -3.479 0.248 1.00 0.00 O ATOM 681 CB PHE B 25 -0.474 -6.177 0.530 1.00 0.00 C ATOM 682 CG PHE B 25 -0.130 -5.604 1.885 1.00 0.00 C ATOM 683 CD1 PHE B 25 0.967 -6.104 2.599 1.00 0.00 C ATOM 684 CD2 PHE B 25 -0.911 -4.576 2.429 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.284 -5.574 3.858 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.595 -4.046 3.687 1.00 0.00 C ATOM 687 CZ PHE B 25 0.503 -4.545 4.402 1.00 0.00 C ATOM 0 H PHE B 25 2.234 -5.602 0.756 1.00 0.00 H new ATOM 0 HA PHE B 25 0.294 -6.110 -1.483 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.490 -5.895 0.252 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.444 -7.266 0.567 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.568 -6.897 2.180 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.757 -4.192 1.878 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.130 -5.959 4.408 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.197 -3.253 4.106 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.747 -4.137 5.372 1.00 0.00 H new ATOM 697 N TYR B 26 0.880 -3.574 -1.703 1.00 0.00 N ATOM 698 CA TYR B 26 0.792 -2.096 -1.874 1.00 0.00 C ATOM 699 C TYR B 26 -0.659 -1.648 -1.675 1.00 0.00 C ATOM 700 O TYR B 26 -1.581 -2.256 -2.182 1.00 0.00 O ATOM 701 CB TYR B 26 1.263 -1.722 -3.287 1.00 0.00 C ATOM 702 CG TYR B 26 0.790 -0.331 -3.641 1.00 0.00 C ATOM 703 CD1 TYR B 26 1.298 0.780 -2.954 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.158 -0.151 -4.657 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.859 2.069 -3.283 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.598 1.138 -4.987 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.089 2.249 -4.299 1.00 0.00 C ATOM 708 OH TYR B 26 -0.521 3.518 -4.624 1.00 0.00 O ATOM 0 H TYR B 26 1.329 -4.073 -2.471 1.00 0.00 H new ATOM 0 HA TYR B 26 1.425 -1.600 -1.139 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.351 -1.769 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.877 -2.441 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR B 26 2.028 0.642 -2.170 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.550 -1.007 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.251 2.924 -2.753 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.328 1.276 -5.771 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.763 3.548 -5.573 1.00 0.00 H new ATOM 718 N THR B 27 -0.868 -0.586 -0.944 1.00 0.00 N ATOM 719 CA THR B 27 -2.258 -0.098 -0.719 1.00 0.00 C ATOM 720 C THR B 27 -2.683 0.775 -1.900 1.00 0.00 C ATOM 721 O THR B 27 -1.889 1.104 -2.758 1.00 0.00 O ATOM 722 CB THR B 27 -2.310 0.725 0.571 1.00 0.00 C ATOM 723 OG1 THR B 27 -1.001 1.162 0.905 1.00 0.00 O ATOM 724 CG2 THR B 27 -2.870 -0.134 1.704 1.00 0.00 C ATOM 0 H THR B 27 -0.136 -0.036 -0.494 1.00 0.00 H new ATOM 0 HA THR B 27 -2.934 -0.949 -0.631 1.00 0.00 H new ATOM 0 HB THR B 27 -2.955 1.591 0.424 1.00 0.00 H new ATOM 0 HG1 THR B 27 -1.033 1.690 1.730 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.906 0.453 2.622 1.00 0.00 H new ATOM 0 HG22 THR B 27 -3.875 -0.467 1.446 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.228 -1.002 1.854 1.00 0.00 H new ATOM 732 N LYS B 28 -3.930 1.154 -1.954 1.00 0.00 N ATOM 733 CA LYS B 28 -4.398 2.003 -3.083 1.00 0.00 C ATOM 734 C LYS B 28 -4.161 3.479 -2.746 1.00 0.00 C ATOM 735 O LYS B 28 -4.263 3.877 -1.603 1.00 0.00 O ATOM 736 CB LYS B 28 -5.891 1.765 -3.318 1.00 0.00 C ATOM 737 CG LYS B 28 -6.167 1.710 -4.822 1.00 0.00 C ATOM 738 CD LYS B 28 -7.354 0.785 -5.091 1.00 0.00 C ATOM 739 CE LYS B 28 -8.568 1.266 -4.294 1.00 0.00 C ATOM 740 NZ LYS B 28 -9.595 1.806 -5.230 1.00 0.00 N ATOM 0 H LYS B 28 -4.643 0.913 -1.266 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.844 1.744 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.200 0.832 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.474 2.563 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.379 2.710 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -5.285 1.350 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.586 0.774 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.103 -0.238 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.986 0.442 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.268 2.036 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.420 2.133 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.193 2.603 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.889 1.059 -5.891 1.00 0.00 H new ATOM 754 N PRO B 29 -3.849 4.248 -3.760 1.00 0.00 N ATOM 755 CA PRO B 29 -3.586 5.690 -3.610 1.00 0.00 C ATOM 756 C PRO B 29 -4.903 6.462 -3.480 1.00 0.00 C ATOM 757 O PRO B 29 -5.958 5.971 -3.827 1.00 0.00 O ATOM 758 CB PRO B 29 -2.860 6.058 -4.906 1.00 0.00 C ATOM 759 CG PRO B 29 -3.244 4.976 -5.945 1.00 0.00 C ATOM 760 CD PRO B 29 -3.728 3.753 -5.145 1.00 0.00 C ATOM 0 HA PRO B 29 -3.005 5.931 -2.720 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -3.157 7.049 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -1.781 6.084 -4.753 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -4.027 5.338 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -2.389 4.717 -6.570 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.683 3.384 -5.521 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.019 2.928 -5.212 1.00 0.00 H new ATOM 768 N THR B 30 -4.847 7.667 -2.985 1.00 0.00 N ATOM 769 CA THR B 30 -6.093 8.470 -2.833 1.00 0.00 C ATOM 770 C THR B 30 -7.154 7.632 -2.116 1.00 0.00 C ATOM 771 O THR B 30 -6.929 7.281 -0.969 1.00 0.00 O ATOM 772 CB THR B 30 -6.611 8.873 -4.215 1.00 0.00 C ATOM 773 OG1 THR B 30 -7.186 7.741 -4.854 1.00 0.00 O ATOM 774 CG2 THR B 30 -5.452 9.404 -5.061 1.00 0.00 C ATOM 775 OXT THR B 30 -8.174 7.356 -2.726 1.00 0.00 O ATOM 0 H THR B 30 -3.992 8.131 -2.679 1.00 0.00 H new ATOM 0 HA THR B 30 -5.880 9.365 -2.249 1.00 0.00 H new ATOM 0 HB THR B 30 -7.366 9.651 -4.107 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.241 6.999 -4.217 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.822 9.691 -6.045 1.00 0.00 H new ATOM 0 HG22 THR B 30 -5.012 10.273 -4.571 1.00 0.00 H new ATOM 0 HG23 THR B 30 -4.695 8.627 -5.170 1.00 0.00 H new TER 783 THR B 30