USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.344 X(o=-0.34,f=-0.53) USER MOD Single : A 10 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.1) USER MOD Single : A 12 GLN : amide:sc= -3.59 K(o=-3.6,f=-4.4!) USER MOD Single : A 15 GLN : amide:sc= -0.601 K(o=-0.6,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -163:sc= -2.8 (180deg=-2.95!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -2.51! C(o=-2.5!,f=-8!) USER MOD Single : A 29 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 34 THR OG1 : rot -86:sc= 0.715 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.011) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.104 12.179 -14.609 1.00 0.00 N ATOM 2 CA GLY A 1 10.421 12.638 -14.201 1.00 0.00 C ATOM 3 C GLY A 1 10.795 12.081 -12.826 1.00 0.00 C ATOM 4 O GLY A 1 11.206 10.928 -12.710 1.00 0.00 O ATOM 0 H1 GLY A 1 8.874 12.571 -15.545 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.098 11.140 -14.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.396 12.497 -13.917 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.162 12.327 -14.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.438 13.728 -14.173 1.00 0.00 H new ATOM 8 N SER A 2 10.638 12.927 -11.818 1.00 0.00 N ATOM 9 CA SER A 2 10.954 12.534 -10.456 1.00 0.00 C ATOM 10 C SER A 2 10.153 11.288 -10.071 1.00 0.00 C ATOM 11 O SER A 2 9.129 10.991 -10.684 1.00 0.00 O ATOM 12 CB SER A 2 10.669 13.672 -9.474 1.00 0.00 C ATOM 13 OG SER A 2 11.867 14.238 -8.950 1.00 0.00 O ATOM 0 H SER A 2 10.296 13.883 -11.918 1.00 0.00 H new ATOM 0 HA SER A 2 12.018 12.304 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.091 14.448 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.056 13.298 -8.654 1.00 0.00 H new ATOM 0 HG SER A 2 11.642 14.962 -8.329 1.00 0.00 H new ATOM 19 N SER A 3 10.650 10.594 -9.058 1.00 0.00 N ATOM 20 CA SER A 3 9.993 9.387 -8.585 1.00 0.00 C ATOM 21 C SER A 3 8.701 9.748 -7.849 1.00 0.00 C ATOM 22 O SER A 3 7.620 9.304 -8.232 1.00 0.00 O ATOM 23 CB SER A 3 10.917 8.580 -7.670 1.00 0.00 C ATOM 24 OG SER A 3 10.972 7.206 -8.045 1.00 0.00 O ATOM 0 H SER A 3 11.499 10.844 -8.552 1.00 0.00 H new ATOM 0 HA SER A 3 9.750 8.769 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.920 9.005 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.569 8.661 -6.640 1.00 0.00 H new ATOM 0 HG SER A 3 11.573 6.725 -7.438 1.00 0.00 H new ATOM 30 N GLY A 4 8.856 10.551 -6.807 1.00 0.00 N ATOM 31 CA GLY A 4 7.715 10.977 -6.014 1.00 0.00 C ATOM 32 C GLY A 4 8.144 11.953 -4.917 1.00 0.00 C ATOM 33 O GLY A 4 9.107 11.697 -4.195 1.00 0.00 O ATOM 0 H GLY A 4 9.754 10.918 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.976 11.452 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.235 10.108 -5.565 1.00 0.00 H new ATOM 37 N SER A 5 7.409 13.051 -4.825 1.00 0.00 N ATOM 38 CA SER A 5 7.701 14.066 -3.827 1.00 0.00 C ATOM 39 C SER A 5 6.730 13.939 -2.651 1.00 0.00 C ATOM 40 O SER A 5 5.712 13.256 -2.753 1.00 0.00 O ATOM 41 CB SER A 5 7.622 15.470 -4.431 1.00 0.00 C ATOM 42 OG SER A 5 8.736 16.275 -4.057 1.00 0.00 O ATOM 0 H SER A 5 6.611 13.260 -5.425 1.00 0.00 H new ATOM 0 HA SER A 5 8.718 13.910 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.577 15.395 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.700 15.953 -4.106 1.00 0.00 H new ATOM 0 HG SER A 5 8.650 17.162 -4.464 1.00 0.00 H new ATOM 48 N SER A 6 7.080 14.607 -1.562 1.00 0.00 N ATOM 49 CA SER A 6 6.253 14.577 -0.368 1.00 0.00 C ATOM 50 C SER A 6 5.885 13.132 -0.022 1.00 0.00 C ATOM 51 O SER A 6 4.801 12.664 -0.367 1.00 0.00 O ATOM 52 CB SER A 6 4.987 15.417 -0.553 1.00 0.00 C ATOM 53 OG SER A 6 4.843 16.398 0.471 1.00 0.00 O ATOM 0 H SER A 6 7.925 15.172 -1.481 1.00 0.00 H new ATOM 0 HA SER A 6 6.825 15.007 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.017 15.909 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.115 14.763 -0.554 1.00 0.00 H new ATOM 0 HG SER A 6 4.024 16.914 0.317 1.00 0.00 H new ATOM 59 N GLY A 7 6.808 12.466 0.655 1.00 0.00 N ATOM 60 CA GLY A 7 6.595 11.084 1.051 1.00 0.00 C ATOM 61 C GLY A 7 5.288 10.934 1.832 1.00 0.00 C ATOM 62 O GLY A 7 5.131 11.515 2.905 1.00 0.00 O ATOM 0 H GLY A 7 7.706 12.858 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.569 10.448 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.430 10.744 1.664 1.00 0.00 H new ATOM 66 N HIS A 8 4.383 10.150 1.264 1.00 0.00 N ATOM 67 CA HIS A 8 3.095 9.915 1.894 1.00 0.00 C ATOM 68 C HIS A 8 2.970 8.438 2.273 1.00 0.00 C ATOM 69 O HIS A 8 3.084 8.083 3.445 1.00 0.00 O ATOM 70 CB HIS A 8 1.955 10.394 0.993 1.00 0.00 C ATOM 71 CG HIS A 8 1.018 11.374 1.658 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.447 12.321 2.572 1.00 0.00 N ATOM 73 CD2 HIS A 8 -0.330 11.545 1.531 1.00 0.00 C ATOM 74 CE1 HIS A 8 0.397 13.023 2.971 1.00 0.00 C ATOM 75 NE2 HIS A 8 -0.703 12.540 2.326 1.00 0.00 N ATOM 0 H HIS A 8 4.517 9.669 0.374 1.00 0.00 H new ATOM 0 HA HIS A 8 3.024 10.497 2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.379 10.859 0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.382 9.529 0.658 1.00 0.00 H new ATOM 0 HD1 HIS A 8 2.408 12.455 2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.982 10.968 0.892 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.410 13.835 3.682 1.00 0.00 H new ATOM 83 N PHE A 9 2.739 7.618 1.259 1.00 0.00 N ATOM 84 CA PHE A 9 2.598 6.187 1.471 1.00 0.00 C ATOM 85 C PHE A 9 3.884 5.448 1.099 1.00 0.00 C ATOM 86 O PHE A 9 3.890 4.627 0.183 1.00 0.00 O ATOM 87 CB PHE A 9 1.466 5.709 0.559 1.00 0.00 C ATOM 88 CG PHE A 9 0.170 6.508 0.705 1.00 0.00 C ATOM 89 CD1 PHE A 9 -0.522 6.475 1.875 1.00 0.00 C ATOM 90 CD2 PHE A 9 -0.290 7.253 -0.336 1.00 0.00 C ATOM 91 CE1 PHE A 9 -1.726 7.216 2.010 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.494 7.995 -0.201 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.186 7.961 0.969 1.00 0.00 C ATOM 0 H PHE A 9 2.646 7.917 0.288 1.00 0.00 H new ATOM 0 HA PHE A 9 2.387 5.986 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.800 5.764 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.260 4.660 0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.156 5.885 2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.260 7.280 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.276 7.188 2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.860 8.586 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.101 8.526 1.072 1.00 0.00 H new ATOM 103 N GLN A 10 4.944 5.766 1.828 1.00 0.00 N ATOM 104 CA GLN A 10 6.234 5.142 1.585 1.00 0.00 C ATOM 105 C GLN A 10 6.355 3.844 2.386 1.00 0.00 C ATOM 106 O GLN A 10 6.273 2.753 1.824 1.00 0.00 O ATOM 107 CB GLN A 10 7.378 6.101 1.919 1.00 0.00 C ATOM 108 CG GLN A 10 8.646 5.332 2.294 1.00 0.00 C ATOM 109 CD GLN A 10 9.899 6.149 1.969 1.00 0.00 C ATOM 110 OE1 GLN A 10 9.847 7.343 1.726 1.00 0.00 O ATOM 111 NE2 GLN A 10 11.024 5.440 1.980 1.00 0.00 N ATOM 0 H GLN A 10 4.936 6.447 2.587 1.00 0.00 H new ATOM 0 HA GLN A 10 6.305 4.899 0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.579 6.745 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.084 6.750 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.629 5.092 3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.675 4.385 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.996 4.443 2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.915 5.894 1.777 1.00 0.00 H new ATOM 120 N VAL A 11 6.548 4.005 3.687 1.00 0.00 N ATOM 121 CA VAL A 11 6.681 2.860 4.571 1.00 0.00 C ATOM 122 C VAL A 11 5.675 1.783 4.159 1.00 0.00 C ATOM 123 O VAL A 11 5.990 0.594 4.177 1.00 0.00 O ATOM 124 CB VAL A 11 6.521 3.302 6.027 1.00 0.00 C ATOM 125 CG1 VAL A 11 6.641 2.109 6.978 1.00 0.00 C ATOM 126 CG2 VAL A 11 7.533 4.391 6.384 1.00 0.00 C ATOM 0 H VAL A 11 6.615 4.911 4.150 1.00 0.00 H new ATOM 0 HA VAL A 11 7.677 2.425 4.485 1.00 0.00 H new ATOM 0 HB VAL A 11 5.522 3.723 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.524 2.450 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.865 1.380 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.621 1.646 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.397 4.687 7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.544 4.008 6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.380 5.256 5.738 1.00 0.00 H new ATOM 136 N GLN A 12 4.484 2.238 3.798 1.00 0.00 N ATOM 137 CA GLN A 12 3.430 1.329 3.382 1.00 0.00 C ATOM 138 C GLN A 12 3.775 0.700 2.030 1.00 0.00 C ATOM 139 O GLN A 12 3.714 -0.519 1.875 1.00 0.00 O ATOM 140 CB GLN A 12 2.079 2.044 3.325 1.00 0.00 C ATOM 141 CG GLN A 12 1.605 2.432 4.727 1.00 0.00 C ATOM 142 CD GLN A 12 1.548 3.953 4.885 1.00 0.00 C ATOM 143 OE1 GLN A 12 2.297 4.695 4.271 1.00 0.00 O ATOM 144 NE2 GLN A 12 0.621 4.374 5.741 1.00 0.00 N ATOM 0 H GLN A 12 4.226 3.225 3.785 1.00 0.00 H new ATOM 0 HA GLN A 12 3.351 0.533 4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.162 2.937 2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.340 1.396 2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.619 2.006 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.279 2.010 5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.027 3.699 6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.504 5.372 5.916 1.00 0.00 H new ATOM 153 N LEU A 13 4.129 1.559 1.086 1.00 0.00 N ATOM 154 CA LEU A 13 4.483 1.103 -0.247 1.00 0.00 C ATOM 155 C LEU A 13 5.642 0.109 -0.150 1.00 0.00 C ATOM 156 O LEU A 13 5.715 -0.843 -0.926 1.00 0.00 O ATOM 157 CB LEU A 13 4.770 2.295 -1.162 1.00 0.00 C ATOM 158 CG LEU A 13 3.557 2.910 -1.863 1.00 0.00 C ATOM 159 CD1 LEU A 13 3.945 4.186 -2.613 1.00 0.00 C ATOM 160 CD2 LEU A 13 2.877 1.891 -2.779 1.00 0.00 C ATOM 0 H LEU A 13 4.178 2.569 1.218 1.00 0.00 H new ATOM 0 HA LEU A 13 3.646 0.574 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.256 3.072 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.483 1.980 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 13 2.830 3.193 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.064 4.603 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.347 4.914 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.700 3.952 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.018 2.354 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.584 1.554 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.543 1.037 -2.189 1.00 0.00 H new ATOM 172 N GLU A 14 6.519 0.364 0.810 1.00 0.00 N ATOM 173 CA GLU A 14 7.671 -0.497 1.018 1.00 0.00 C ATOM 174 C GLU A 14 7.234 -1.829 1.631 1.00 0.00 C ATOM 175 O GLU A 14 7.554 -2.894 1.104 1.00 0.00 O ATOM 176 CB GLU A 14 8.719 0.192 1.895 1.00 0.00 C ATOM 177 CG GLU A 14 9.526 -0.833 2.694 1.00 0.00 C ATOM 178 CD GLU A 14 10.893 -0.269 3.087 1.00 0.00 C ATOM 179 OE1 GLU A 14 11.691 -0.018 2.159 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.108 -0.103 4.307 1.00 0.00 O ATOM 0 H GLU A 14 6.455 1.154 1.452 1.00 0.00 H new ATOM 0 HA GLU A 14 8.130 -0.698 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.390 0.781 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.228 0.885 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.974 -1.117 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.659 -1.738 2.102 1.00 0.00 H new ATOM 187 N GLN A 15 6.510 -1.727 2.736 1.00 0.00 N ATOM 188 CA GLN A 15 6.026 -2.911 3.425 1.00 0.00 C ATOM 189 C GLN A 15 5.107 -3.721 2.509 1.00 0.00 C ATOM 190 O GLN A 15 5.154 -4.950 2.507 1.00 0.00 O ATOM 191 CB GLN A 15 5.311 -2.534 4.725 1.00 0.00 C ATOM 192 CG GLN A 15 6.309 -2.374 5.873 1.00 0.00 C ATOM 193 CD GLN A 15 5.596 -2.394 7.227 1.00 0.00 C ATOM 194 OE1 GLN A 15 5.113 -3.416 7.688 1.00 0.00 O ATOM 195 NE2 GLN A 15 5.556 -1.213 7.835 1.00 0.00 N ATOM 0 H GLN A 15 6.247 -0.843 3.171 1.00 0.00 H new ATOM 0 HA GLN A 15 6.883 -3.531 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.760 -1.604 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.580 -3.302 4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.045 -3.177 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.853 -1.437 5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.980 -0.397 7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.101 -1.122 8.743 1.00 0.00 H new ATOM 204 N LEU A 16 4.294 -2.999 1.752 1.00 0.00 N ATOM 205 CA LEU A 16 3.366 -3.636 0.833 1.00 0.00 C ATOM 206 C LEU A 16 4.154 -4.367 -0.256 1.00 0.00 C ATOM 207 O LEU A 16 3.857 -5.517 -0.576 1.00 0.00 O ATOM 208 CB LEU A 16 2.367 -2.614 0.287 1.00 0.00 C ATOM 209 CG LEU A 16 1.352 -2.065 1.292 1.00 0.00 C ATOM 210 CD1 LEU A 16 0.609 -0.857 0.718 1.00 0.00 C ATOM 211 CD2 LEU A 16 0.391 -3.162 1.755 1.00 0.00 C ATOM 0 H LEU A 16 4.259 -1.980 1.756 1.00 0.00 H new ATOM 0 HA LEU A 16 2.769 -4.385 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.926 -1.776 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.821 -3.074 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 16 1.895 -1.720 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.106 -0.487 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.324 -0.070 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.079 -1.153 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.320 -2.746 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.148 -3.560 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.956 -3.963 2.231 1.00 0.00 H new ATOM 223 N ARG A 17 5.143 -3.670 -0.795 1.00 0.00 N ATOM 224 CA ARG A 17 5.976 -4.239 -1.842 1.00 0.00 C ATOM 225 C ARG A 17 6.423 -5.650 -1.456 1.00 0.00 C ATOM 226 O ARG A 17 6.382 -6.565 -2.277 1.00 0.00 O ATOM 227 CB ARG A 17 7.211 -3.372 -2.095 1.00 0.00 C ATOM 228 CG ARG A 17 7.779 -3.623 -3.493 1.00 0.00 C ATOM 229 CD ARG A 17 7.877 -2.318 -4.287 1.00 0.00 C ATOM 230 NE ARG A 17 8.367 -2.595 -5.656 1.00 0.00 N ATOM 231 CZ ARG A 17 8.902 -1.669 -6.464 1.00 0.00 C ATOM 232 NH1 ARG A 17 9.018 -0.401 -6.045 1.00 0.00 N ATOM 233 NH2 ARG A 17 9.320 -2.011 -7.690 1.00 0.00 N ATOM 0 H ARG A 17 5.387 -2.717 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 17 5.381 -4.279 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.949 -2.319 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.972 -3.589 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.766 -4.079 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.144 -4.330 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.901 -1.836 -4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.552 -1.626 -3.783 1.00 0.00 H new ATOM 0 HE ARG A 17 8.293 -3.550 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.699 -0.141 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.425 0.304 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.231 -2.976 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.727 -1.306 -8.305 1.00 0.00 H new ATOM 247 N SER A 18 6.839 -5.783 -0.205 1.00 0.00 N ATOM 248 CA SER A 18 7.294 -7.068 0.300 1.00 0.00 C ATOM 249 C SER A 18 6.146 -8.079 0.266 1.00 0.00 C ATOM 250 O SER A 18 6.345 -9.238 -0.094 1.00 0.00 O ATOM 251 CB SER A 18 7.844 -6.938 1.721 1.00 0.00 C ATOM 252 OG SER A 18 9.213 -7.327 1.802 1.00 0.00 O ATOM 0 H SER A 18 6.871 -5.022 0.474 1.00 0.00 H new ATOM 0 HA SER A 18 8.101 -7.421 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.740 -5.906 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.251 -7.555 2.397 1.00 0.00 H new ATOM 0 HG SER A 18 9.527 -7.228 2.725 1.00 0.00 H new ATOM 258 N MET A 19 4.969 -7.603 0.646 1.00 0.00 N ATOM 259 CA MET A 19 3.789 -8.451 0.664 1.00 0.00 C ATOM 260 C MET A 19 3.455 -8.955 -0.742 1.00 0.00 C ATOM 261 O MET A 19 2.646 -9.867 -0.902 1.00 0.00 O ATOM 262 CB MET A 19 2.602 -7.662 1.219 1.00 0.00 C ATOM 263 CG MET A 19 2.756 -7.426 2.723 1.00 0.00 C ATOM 264 SD MET A 19 1.152 -7.392 3.504 1.00 0.00 S ATOM 265 CE MET A 19 1.431 -6.126 4.731 1.00 0.00 C ATOM 0 H MET A 19 4.807 -6.641 0.944 1.00 0.00 H new ATOM 0 HA MET A 19 3.993 -9.313 1.300 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.524 -6.705 0.703 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.677 -8.205 1.025 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.367 -8.215 3.162 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.276 -6.484 2.900 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.655 -6.181 5.494 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.406 -6.277 5.194 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.403 -5.146 4.255 1.00 0.00 H new ATOM 275 N GLY A 20 4.095 -8.338 -1.725 1.00 0.00 N ATOM 276 CA GLY A 20 3.876 -8.712 -3.111 1.00 0.00 C ATOM 277 C GLY A 20 2.900 -7.750 -3.791 1.00 0.00 C ATOM 278 O GLY A 20 2.280 -8.095 -4.796 1.00 0.00 O ATOM 0 H GLY A 20 4.765 -7.581 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.826 -8.711 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.484 -9.728 -3.160 1.00 0.00 H new ATOM 282 N PHE A 21 2.794 -6.561 -3.216 1.00 0.00 N ATOM 283 CA PHE A 21 1.905 -5.546 -3.754 1.00 0.00 C ATOM 284 C PHE A 21 2.664 -4.578 -4.664 1.00 0.00 C ATOM 285 O PHE A 21 2.982 -3.461 -4.260 1.00 0.00 O ATOM 286 CB PHE A 21 1.339 -4.770 -2.563 1.00 0.00 C ATOM 287 CG PHE A 21 0.283 -5.538 -1.765 1.00 0.00 C ATOM 288 CD1 PHE A 21 -0.770 -6.112 -2.406 1.00 0.00 C ATOM 289 CD2 PHE A 21 0.398 -5.647 -0.414 1.00 0.00 C ATOM 290 CE1 PHE A 21 -1.749 -6.825 -1.666 1.00 0.00 C ATOM 291 CE2 PHE A 21 -0.581 -6.360 0.327 1.00 0.00 C ATOM 292 CZ PHE A 21 -1.634 -6.934 -0.315 1.00 0.00 C ATOM 0 H PHE A 21 3.309 -6.278 -2.383 1.00 0.00 H new ATOM 0 HA PHE A 21 1.118 -6.016 -4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.158 -4.500 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.901 -3.839 -2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.861 -6.025 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.234 -5.191 0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.585 -7.281 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.490 -6.447 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.379 -7.476 0.248 1.00 0.00 H new ATOM 302 N LEU A 22 2.932 -5.042 -5.876 1.00 0.00 N ATOM 303 CA LEU A 22 3.648 -4.231 -6.846 1.00 0.00 C ATOM 304 C LEU A 22 2.647 -3.385 -7.635 1.00 0.00 C ATOM 305 O LEU A 22 2.717 -3.315 -8.861 1.00 0.00 O ATOM 306 CB LEU A 22 4.538 -5.111 -7.727 1.00 0.00 C ATOM 307 CG LEU A 22 5.147 -6.340 -7.049 1.00 0.00 C ATOM 308 CD1 LEU A 22 5.407 -6.075 -5.565 1.00 0.00 C ATOM 309 CD2 LEU A 22 4.270 -7.576 -7.266 1.00 0.00 C ATOM 0 H LEU A 22 2.666 -5.969 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 22 4.322 -3.539 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.951 -5.446 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.349 -4.497 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 22 6.112 -6.544 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.840 -6.964 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.099 -5.240 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.467 -5.832 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.725 -8.436 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.281 -7.399 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.179 -7.775 -8.334 1.00 0.00 H new ATOM 321 N ASN A 23 1.737 -2.763 -6.899 1.00 0.00 N ATOM 322 CA ASN A 23 0.723 -1.924 -7.514 1.00 0.00 C ATOM 323 C ASN A 23 0.583 -0.629 -6.712 1.00 0.00 C ATOM 324 O ASN A 23 -0.235 -0.546 -5.798 1.00 0.00 O ATOM 325 CB ASN A 23 -0.638 -2.623 -7.524 1.00 0.00 C ATOM 326 CG ASN A 23 -1.121 -2.863 -8.956 1.00 0.00 C ATOM 327 OD1 ASN A 23 -0.887 -3.902 -9.551 1.00 0.00 O ATOM 328 ND2 ASN A 23 -1.805 -1.847 -9.474 1.00 0.00 N ATOM 0 H ASN A 23 1.681 -2.824 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 23 1.031 -1.719 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.566 -3.574 -6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.367 -2.015 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.170 -1.910 -10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.965 -1.005 -8.921 1.00 0.00 H new ATOM 335 N ARG A 24 1.395 0.350 -7.084 1.00 0.00 N ATOM 336 CA ARG A 24 1.372 1.638 -6.411 1.00 0.00 C ATOM 337 C ARG A 24 -0.003 2.290 -6.560 1.00 0.00 C ATOM 338 O ARG A 24 -0.626 2.667 -5.568 1.00 0.00 O ATOM 339 CB ARG A 24 2.438 2.576 -6.981 1.00 0.00 C ATOM 340 CG ARG A 24 2.774 3.691 -5.988 1.00 0.00 C ATOM 341 CD ARG A 24 4.278 3.742 -5.710 1.00 0.00 C ATOM 342 NE ARG A 24 4.713 5.146 -5.539 1.00 0.00 N ATOM 343 CZ ARG A 24 4.719 6.056 -6.522 1.00 0.00 C ATOM 344 NH1 ARG A 24 4.314 5.715 -7.753 1.00 0.00 N ATOM 345 NH2 ARG A 24 5.131 7.307 -6.275 1.00 0.00 N ATOM 0 H ARG A 24 2.073 0.277 -7.843 1.00 0.00 H new ATOM 0 HA ARG A 24 1.583 1.465 -5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.339 2.009 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.083 3.011 -7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.441 4.650 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.233 3.528 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.510 3.169 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.824 3.281 -6.533 1.00 0.00 H new ATOM 0 HE ARG A 24 5.028 5.439 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.001 4.763 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.319 6.408 -8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.440 7.567 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.135 8.000 -7.024 1.00 0.00 H new ATOM 359 N GLU A 25 -0.438 2.404 -7.806 1.00 0.00 N ATOM 360 CA GLU A 25 -1.728 3.005 -8.098 1.00 0.00 C ATOM 361 C GLU A 25 -2.794 2.460 -7.145 1.00 0.00 C ATOM 362 O GLU A 25 -3.585 3.223 -6.591 1.00 0.00 O ATOM 363 CB GLU A 25 -2.126 2.770 -9.556 1.00 0.00 C ATOM 364 CG GLU A 25 -2.112 4.081 -10.346 1.00 0.00 C ATOM 365 CD GLU A 25 -2.387 3.830 -11.830 1.00 0.00 C ATOM 366 OE1 GLU A 25 -3.574 3.615 -12.158 1.00 0.00 O ATOM 367 OE2 GLU A 25 -1.405 3.859 -12.602 1.00 0.00 O ATOM 0 H GLU A 25 0.081 2.090 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.648 4.082 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.440 2.058 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.121 2.326 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.863 4.760 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.145 4.570 -10.229 1.00 0.00 H new ATOM 374 N ALA A 26 -2.781 1.145 -6.982 1.00 0.00 N ATOM 375 CA ALA A 26 -3.737 0.490 -6.106 1.00 0.00 C ATOM 376 C ALA A 26 -3.324 0.714 -4.650 1.00 0.00 C ATOM 377 O ALA A 26 -4.105 1.230 -3.851 1.00 0.00 O ATOM 378 CB ALA A 26 -3.824 -0.995 -6.465 1.00 0.00 C ATOM 0 H ALA A 26 -2.123 0.516 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.732 0.916 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.541 -1.487 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.149 -1.101 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.844 -1.457 -6.343 1.00 0.00 H new ATOM 384 N ASN A 27 -2.097 0.315 -4.348 1.00 0.00 N ATOM 385 CA ASN A 27 -1.571 0.465 -3.002 1.00 0.00 C ATOM 386 C ASN A 27 -1.912 1.862 -2.479 1.00 0.00 C ATOM 387 O ASN A 27 -2.258 2.024 -1.310 1.00 0.00 O ATOM 388 CB ASN A 27 -0.048 0.313 -2.985 1.00 0.00 C ATOM 389 CG ASN A 27 0.363 -1.119 -3.333 1.00 0.00 C ATOM 390 OD1 ASN A 27 -0.409 -2.057 -3.229 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.620 -1.233 -3.752 1.00 0.00 N ATOM 0 H ASN A 27 -1.452 -0.112 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.018 -0.309 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.398 1.007 -3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.337 0.576 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.991 -2.148 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.213 -0.406 -3.816 1.00 0.00 H new ATOM 398 N LEU A 28 -1.803 2.836 -3.371 1.00 0.00 N ATOM 399 CA LEU A 28 -2.095 4.214 -3.014 1.00 0.00 C ATOM 400 C LEU A 28 -3.576 4.339 -2.651 1.00 0.00 C ATOM 401 O LEU A 28 -3.919 4.539 -1.486 1.00 0.00 O ATOM 402 CB LEU A 28 -1.654 5.162 -4.131 1.00 0.00 C ATOM 403 CG LEU A 28 -1.160 6.540 -3.685 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.361 6.645 -3.812 1.00 0.00 C ATOM 405 CD2 LEU A 28 -1.877 7.653 -4.451 1.00 0.00 C ATOM 0 H LEU A 28 -1.517 2.698 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.524 4.509 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.858 4.679 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.492 5.302 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.404 6.666 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.686 7.634 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.832 5.886 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.651 6.490 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.508 8.622 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.686 7.542 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.949 7.589 -4.266 1.00 0.00 H new ATOM 417 N GLN A 29 -4.415 4.215 -3.669 1.00 0.00 N ATOM 418 CA GLN A 29 -5.851 4.311 -3.472 1.00 0.00 C ATOM 419 C GLN A 29 -6.256 3.616 -2.170 1.00 0.00 C ATOM 420 O GLN A 29 -6.948 4.202 -1.339 1.00 0.00 O ATOM 421 CB GLN A 29 -6.609 3.725 -4.665 1.00 0.00 C ATOM 422 CG GLN A 29 -6.640 4.712 -5.833 1.00 0.00 C ATOM 423 CD GLN A 29 -7.876 5.611 -5.759 1.00 0.00 C ATOM 424 OE1 GLN A 29 -8.926 5.311 -6.302 1.00 0.00 O ATOM 425 NE2 GLN A 29 -7.692 6.727 -5.059 1.00 0.00 N ATOM 0 H GLN A 29 -4.127 4.049 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.118 5.365 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.134 2.796 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.628 3.477 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.739 5.325 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.640 4.165 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.786 6.916 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.457 7.393 -4.951 1.00 0.00 H new ATOM 434 N ALA A 30 -5.807 2.377 -2.034 1.00 0.00 N ATOM 435 CA ALA A 30 -6.114 1.596 -0.848 1.00 0.00 C ATOM 436 C ALA A 30 -5.616 2.342 0.392 1.00 0.00 C ATOM 437 O ALA A 30 -6.374 2.558 1.337 1.00 0.00 O ATOM 438 CB ALA A 30 -5.493 0.204 -0.978 1.00 0.00 C ATOM 0 H ALA A 30 -5.233 1.895 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.191 1.465 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.723 -0.382 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.901 -0.296 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.412 0.296 -1.082 1.00 0.00 H new ATOM 444 N LEU A 31 -4.346 2.717 0.348 1.00 0.00 N ATOM 445 CA LEU A 31 -3.739 3.435 1.455 1.00 0.00 C ATOM 446 C LEU A 31 -4.523 4.723 1.714 1.00 0.00 C ATOM 447 O LEU A 31 -4.643 5.161 2.857 1.00 0.00 O ATOM 448 CB LEU A 31 -2.249 3.664 1.193 1.00 0.00 C ATOM 449 CG LEU A 31 -1.333 2.462 1.431 1.00 0.00 C ATOM 450 CD1 LEU A 31 -0.055 2.573 0.598 1.00 0.00 C ATOM 451 CD2 LEU A 31 -1.033 2.289 2.922 1.00 0.00 C ATOM 0 H LEU A 31 -3.721 2.537 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.791 2.841 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.128 3.989 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.911 4.484 1.826 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.855 1.564 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.578 1.706 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.313 2.611 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.481 3.481 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.380 1.428 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.540 3.185 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.965 2.131 3.465 1.00 0.00 H new ATOM 463 N ILE A 32 -5.037 5.292 0.634 1.00 0.00 N ATOM 464 CA ILE A 32 -5.806 6.521 0.730 1.00 0.00 C ATOM 465 C ILE A 32 -7.148 6.226 1.402 1.00 0.00 C ATOM 466 O ILE A 32 -7.485 6.833 2.417 1.00 0.00 O ATOM 467 CB ILE A 32 -5.938 7.179 -0.645 1.00 0.00 C ATOM 468 CG1 ILE A 32 -4.563 7.492 -1.238 1.00 0.00 C ATOM 469 CG2 ILE A 32 -6.828 8.422 -0.575 1.00 0.00 C ATOM 470 CD1 ILE A 32 -4.627 7.562 -2.765 1.00 0.00 C ATOM 0 H ILE A 32 -4.936 4.925 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.288 7.247 1.357 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.425 6.471 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.200 8.440 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.849 6.726 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.905 8.870 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.821 8.139 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.392 9.143 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.636 7.786 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.967 6.604 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.323 8.346 -3.064 1.00 0.00 H new ATOM 482 N ALA A 33 -7.879 5.294 0.808 1.00 0.00 N ATOM 483 CA ALA A 33 -9.177 4.911 1.337 1.00 0.00 C ATOM 484 C ALA A 33 -9.075 4.741 2.854 1.00 0.00 C ATOM 485 O ALA A 33 -9.878 5.300 3.600 1.00 0.00 O ATOM 486 CB ALA A 33 -9.658 3.638 0.638 1.00 0.00 C ATOM 0 H ALA A 33 -7.597 4.793 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.916 5.689 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.632 3.351 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.742 3.821 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.943 2.834 0.814 1.00 0.00 H new ATOM 492 N THR A 34 -8.082 3.967 3.265 1.00 0.00 N ATOM 493 CA THR A 34 -7.865 3.716 4.679 1.00 0.00 C ATOM 494 C THR A 34 -7.345 4.978 5.371 1.00 0.00 C ATOM 495 O THR A 34 -7.866 5.381 6.410 1.00 0.00 O ATOM 496 CB THR A 34 -6.920 2.519 4.808 1.00 0.00 C ATOM 497 OG1 THR A 34 -5.799 2.874 4.003 1.00 0.00 O ATOM 498 CG2 THR A 34 -7.475 1.260 4.139 1.00 0.00 C ATOM 0 H THR A 34 -7.418 3.505 2.643 1.00 0.00 H new ATOM 0 HA THR A 34 -8.798 3.467 5.184 1.00 0.00 H new ATOM 0 HB THR A 34 -6.732 2.317 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.971 2.619 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.766 0.441 4.260 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.424 0.990 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.631 1.451 3.077 1.00 0.00 H new ATOM 506 N GLY A 35 -6.323 5.566 4.767 1.00 0.00 N ATOM 507 CA GLY A 35 -5.726 6.774 5.312 1.00 0.00 C ATOM 508 C GLY A 35 -4.304 6.507 5.810 1.00 0.00 C ATOM 509 O GLY A 35 -3.851 7.131 6.768 1.00 0.00 O ATOM 0 H GLY A 35 -5.893 5.229 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.708 7.551 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.338 7.148 6.133 1.00 0.00 H new ATOM 513 N GLY A 36 -3.641 5.579 5.137 1.00 0.00 N ATOM 514 CA GLY A 36 -2.280 5.221 5.499 1.00 0.00 C ATOM 515 C GLY A 36 -2.265 4.077 6.515 1.00 0.00 C ATOM 516 O GLY A 36 -1.747 4.230 7.620 1.00 0.00 O ATOM 0 H GLY A 36 -4.021 5.064 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.728 4.926 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.771 6.090 5.917 1.00 0.00 H new ATOM 520 N ASP A 37 -2.840 2.956 6.104 1.00 0.00 N ATOM 521 CA ASP A 37 -2.900 1.787 6.964 1.00 0.00 C ATOM 522 C ASP A 37 -2.700 0.527 6.120 1.00 0.00 C ATOM 523 O ASP A 37 -3.610 0.098 5.413 1.00 0.00 O ATOM 524 CB ASP A 37 -4.260 1.681 7.657 1.00 0.00 C ATOM 525 CG ASP A 37 -4.344 0.624 8.759 1.00 0.00 C ATOM 526 OD1 ASP A 37 -3.511 -0.307 8.717 1.00 0.00 O ATOM 527 OD2 ASP A 37 -5.240 0.770 9.619 1.00 0.00 O ATOM 0 H ASP A 37 -3.268 2.833 5.187 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.118 1.883 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.509 2.652 8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.018 1.461 6.905 1.00 0.00 H new ATOM 532 N VAL A 38 -1.502 -0.031 6.222 1.00 0.00 N ATOM 533 CA VAL A 38 -1.171 -1.234 5.476 1.00 0.00 C ATOM 534 C VAL A 38 -2.114 -2.364 5.895 1.00 0.00 C ATOM 535 O VAL A 38 -2.602 -3.114 5.051 1.00 0.00 O ATOM 536 CB VAL A 38 0.305 -1.582 5.674 1.00 0.00 C ATOM 537 CG1 VAL A 38 0.658 -2.894 4.971 1.00 0.00 C ATOM 538 CG2 VAL A 38 1.207 -0.443 5.194 1.00 0.00 C ATOM 0 H VAL A 38 -0.749 0.327 6.810 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.312 -1.073 4.407 1.00 0.00 H new ATOM 0 HB VAL A 38 0.476 -1.717 6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.713 -3.118 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.051 -3.701 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.462 -2.799 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.251 -0.717 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.031 -0.261 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.983 0.462 5.759 1.00 0.00 H new ATOM 548 N ASP A 39 -2.341 -2.450 7.197 1.00 0.00 N ATOM 549 CA ASP A 39 -3.216 -3.476 7.738 1.00 0.00 C ATOM 550 C ASP A 39 -4.560 -3.431 7.007 1.00 0.00 C ATOM 551 O ASP A 39 -4.918 -4.372 6.300 1.00 0.00 O ATOM 552 CB ASP A 39 -3.480 -3.246 9.227 1.00 0.00 C ATOM 553 CG ASP A 39 -3.711 -4.517 10.047 1.00 0.00 C ATOM 554 OD1 ASP A 39 -3.626 -5.607 9.440 1.00 0.00 O ATOM 555 OD2 ASP A 39 -3.967 -4.371 11.261 1.00 0.00 O ATOM 0 H ASP A 39 -1.934 -1.826 7.894 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.727 -4.441 7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.633 -2.707 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.353 -2.601 9.330 1.00 0.00 H new ATOM 560 N ALA A 40 -5.267 -2.328 7.203 1.00 0.00 N ATOM 561 CA ALA A 40 -6.563 -2.148 6.571 1.00 0.00 C ATOM 562 C ALA A 40 -6.415 -2.311 5.057 1.00 0.00 C ATOM 563 O ALA A 40 -7.160 -3.066 4.434 1.00 0.00 O ATOM 564 CB ALA A 40 -7.134 -0.782 6.958 1.00 0.00 C ATOM 0 H ALA A 40 -4.967 -1.550 7.790 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.267 -2.905 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.106 -0.647 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.247 -0.729 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.456 0.004 6.625 1.00 0.00 H new ATOM 570 N ALA A 41 -5.448 -1.590 4.508 1.00 0.00 N ATOM 571 CA ALA A 41 -5.192 -1.645 3.079 1.00 0.00 C ATOM 572 C ALA A 41 -5.127 -3.107 2.633 1.00 0.00 C ATOM 573 O ALA A 41 -5.826 -3.508 1.704 1.00 0.00 O ATOM 574 CB ALA A 41 -3.906 -0.880 2.760 1.00 0.00 C ATOM 0 H ALA A 41 -4.832 -0.964 5.028 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.001 -1.167 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.714 -0.922 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.015 0.160 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.071 -1.332 3.296 1.00 0.00 H new ATOM 580 N VAL A 42 -4.280 -3.863 3.316 1.00 0.00 N ATOM 581 CA VAL A 42 -4.115 -5.272 3.002 1.00 0.00 C ATOM 582 C VAL A 42 -5.490 -5.937 2.916 1.00 0.00 C ATOM 583 O VAL A 42 -5.802 -6.601 1.930 1.00 0.00 O ATOM 584 CB VAL A 42 -3.194 -5.933 4.030 1.00 0.00 C ATOM 585 CG1 VAL A 42 -3.362 -7.454 4.019 1.00 0.00 C ATOM 586 CG2 VAL A 42 -1.735 -5.541 3.791 1.00 0.00 C ATOM 0 H VAL A 42 -3.701 -3.527 4.085 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.635 -5.392 2.031 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.480 -5.572 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.696 -7.899 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.394 -7.708 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.115 -7.840 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.102 -6.024 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.431 -5.860 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.631 -4.459 3.873 1.00 0.00 H new ATOM 596 N GLU A 43 -6.276 -5.734 3.964 1.00 0.00 N ATOM 597 CA GLU A 43 -7.611 -6.305 4.020 1.00 0.00 C ATOM 598 C GLU A 43 -8.393 -5.952 2.753 1.00 0.00 C ATOM 599 O GLU A 43 -9.287 -6.691 2.345 1.00 0.00 O ATOM 600 CB GLU A 43 -8.355 -5.838 5.272 1.00 0.00 C ATOM 601 CG GLU A 43 -7.701 -6.394 6.538 1.00 0.00 C ATOM 602 CD GLU A 43 -8.383 -7.689 6.985 1.00 0.00 C ATOM 603 OE1 GLU A 43 -9.359 -7.578 7.758 1.00 0.00 O ATOM 604 OE2 GLU A 43 -7.914 -8.760 6.543 1.00 0.00 O ATOM 0 H GLU A 43 -6.014 -5.182 4.781 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.519 -7.390 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.362 -4.749 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.395 -6.162 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.643 -6.581 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.759 -5.654 7.336 1.00 0.00 H new ATOM 611 N LYS A 44 -8.027 -4.821 2.167 1.00 0.00 N ATOM 612 CA LYS A 44 -8.684 -4.361 0.955 1.00 0.00 C ATOM 613 C LYS A 44 -7.966 -4.947 -0.263 1.00 0.00 C ATOM 614 O LYS A 44 -8.577 -5.642 -1.073 1.00 0.00 O ATOM 615 CB LYS A 44 -8.772 -2.833 0.941 1.00 0.00 C ATOM 616 CG LYS A 44 -9.674 -2.326 2.068 1.00 0.00 C ATOM 617 CD LYS A 44 -10.587 -1.202 1.575 1.00 0.00 C ATOM 618 CE LYS A 44 -11.650 -0.860 2.622 1.00 0.00 C ATOM 619 NZ LYS A 44 -12.740 -1.861 2.599 1.00 0.00 N ATOM 0 H LYS A 44 -7.285 -4.210 2.509 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.714 -4.717 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.775 -2.407 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.160 -2.496 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.278 -3.148 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.062 -1.966 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.992 -0.316 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.070 -1.503 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.197 -0.830 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.056 0.133 2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.493 -1.569 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.127 -1.931 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.367 -2.787 2.890 1.00 0.00 H new ATOM 633 N LEU A 45 -6.679 -4.643 -0.354 1.00 0.00 N ATOM 634 CA LEU A 45 -5.872 -5.131 -1.459 1.00 0.00 C ATOM 635 C LEU A 45 -6.170 -6.615 -1.687 1.00 0.00 C ATOM 636 O LEU A 45 -6.217 -7.074 -2.827 1.00 0.00 O ATOM 637 CB LEU A 45 -4.391 -4.832 -1.214 1.00 0.00 C ATOM 638 CG LEU A 45 -3.962 -3.375 -1.398 1.00 0.00 C ATOM 639 CD1 LEU A 45 -2.664 -3.086 -0.641 1.00 0.00 C ATOM 640 CD2 LEU A 45 -3.852 -3.019 -2.882 1.00 0.00 C ATOM 0 H LEU A 45 -6.176 -4.065 0.319 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.131 -4.608 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.142 -5.138 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.799 -5.452 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.734 -2.735 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.381 -2.044 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.813 -3.275 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.872 -3.734 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.546 -1.978 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.112 -3.664 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.820 -3.162 -3.363 1.00 0.00 H new ATOM 652 N ARG A 46 -6.363 -7.323 -0.584 1.00 0.00 N ATOM 653 CA ARG A 46 -6.655 -8.745 -0.649 1.00 0.00 C ATOM 654 C ARG A 46 -7.958 -8.984 -1.415 1.00 0.00 C ATOM 655 O ARG A 46 -7.986 -9.754 -2.374 1.00 0.00 O ATOM 656 CB ARG A 46 -6.777 -9.347 0.752 1.00 0.00 C ATOM 657 CG ARG A 46 -5.398 -9.665 1.334 1.00 0.00 C ATOM 658 CD ARG A 46 -5.468 -10.862 2.285 1.00 0.00 C ATOM 659 NE ARG A 46 -4.762 -12.020 1.692 1.00 0.00 N ATOM 660 CZ ARG A 46 -4.864 -13.276 2.150 1.00 0.00 C ATOM 661 NH1 ARG A 46 -5.641 -13.542 3.208 1.00 0.00 N ATOM 662 NH2 ARG A 46 -4.187 -14.264 1.549 1.00 0.00 N ATOM 0 H ARG A 46 -6.323 -6.939 0.360 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.829 -9.230 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.300 -8.650 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.377 -10.256 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.698 -9.878 0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.014 -8.795 1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.018 -10.603 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.508 -11.121 2.481 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.161 -11.852 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.155 -12.789 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.719 -14.498 3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.595 -14.060 0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.264 -15.220 1.897 1.00 0.00 H new ATOM 676 N GLN A 47 -9.006 -8.311 -0.962 1.00 0.00 N ATOM 677 CA GLN A 47 -10.308 -8.441 -1.593 1.00 0.00 C ATOM 678 C GLN A 47 -10.186 -8.257 -3.107 1.00 0.00 C ATOM 679 O GLN A 47 -10.603 -9.121 -3.876 1.00 0.00 O ATOM 680 CB GLN A 47 -11.307 -7.446 -0.998 1.00 0.00 C ATOM 681 CG GLN A 47 -11.663 -7.820 0.442 1.00 0.00 C ATOM 682 CD GLN A 47 -13.155 -8.131 0.575 1.00 0.00 C ATOM 683 OE1 GLN A 47 -13.939 -7.337 1.067 1.00 0.00 O ATOM 684 NE2 GLN A 47 -13.502 -9.328 0.110 1.00 0.00 N ATOM 0 H GLN A 47 -8.980 -7.674 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.685 -9.445 -1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.884 -6.442 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.211 -7.426 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.078 -8.686 0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.398 -7.001 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.795 -9.944 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.476 -9.629 0.153 1.00 0.00 H new ATOM 693 N SER A 48 -9.611 -7.126 -3.489 1.00 0.00 N ATOM 694 CA SER A 48 -9.429 -6.818 -4.897 1.00 0.00 C ATOM 695 C SER A 48 -8.722 -7.979 -5.599 1.00 0.00 C ATOM 696 O SER A 48 -9.277 -8.586 -6.514 1.00 0.00 O ATOM 697 CB SER A 48 -8.633 -5.524 -5.079 1.00 0.00 C ATOM 698 OG SER A 48 -9.344 -4.565 -5.857 1.00 0.00 O ATOM 0 H SER A 48 -9.265 -6.412 -2.848 1.00 0.00 H new ATOM 0 HA SER A 48 -10.412 -6.674 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.403 -5.099 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.682 -5.748 -5.561 1.00 0.00 H new ATOM 0 HG SER A 48 -8.803 -3.753 -5.949 1.00 0.00 H new ATOM 704 N SER A 49 -7.508 -8.252 -5.145 1.00 0.00 N ATOM 705 CA SER A 49 -6.720 -9.330 -5.719 1.00 0.00 C ATOM 706 C SER A 49 -5.615 -9.746 -4.745 1.00 0.00 C ATOM 707 O SER A 49 -5.114 -8.923 -3.980 1.00 0.00 O ATOM 708 CB SER A 49 -6.115 -8.915 -7.062 1.00 0.00 C ATOM 709 OG SER A 49 -5.450 -7.657 -6.982 1.00 0.00 O ATOM 0 H SER A 49 -7.051 -7.746 -4.387 1.00 0.00 H new ATOM 0 HA SER A 49 -7.379 -10.180 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.410 -9.677 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.903 -8.862 -7.813 1.00 0.00 H new ATOM 0 HG SER A 49 -5.076 -7.428 -7.859 1.00 0.00 H new ATOM 715 N GLY A 50 -5.268 -11.023 -4.805 1.00 0.00 N ATOM 716 CA GLY A 50 -4.232 -11.558 -3.938 1.00 0.00 C ATOM 717 C GLY A 50 -3.534 -12.754 -4.590 1.00 0.00 C ATOM 718 O GLY A 50 -3.375 -12.795 -5.809 1.00 0.00 O ATOM 0 H GLY A 50 -5.686 -11.703 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.500 -10.781 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.670 -11.862 -2.987 1.00 0.00 H new ATOM 722 N PRO A 51 -3.127 -13.722 -3.728 1.00 0.00 N ATOM 723 CA PRO A 51 -2.450 -14.915 -4.207 1.00 0.00 C ATOM 724 C PRO A 51 -3.437 -15.876 -4.873 1.00 0.00 C ATOM 725 O PRO A 51 -4.552 -16.062 -4.386 1.00 0.00 O ATOM 726 CB PRO A 51 -1.781 -15.509 -2.978 1.00 0.00 C ATOM 727 CG PRO A 51 -2.486 -14.892 -1.781 1.00 0.00 C ATOM 728 CD PRO A 51 -3.298 -13.708 -2.278 1.00 0.00 C ATOM 0 HA PRO A 51 -1.713 -14.698 -4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.874 -16.595 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.715 -15.280 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.134 -15.625 -1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.760 -14.570 -1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.348 -13.805 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.940 -12.773 -1.846 1.00 0.00 H new ATOM 736 N SER A 52 -2.993 -16.460 -5.976 1.00 0.00 N ATOM 737 CA SER A 52 -3.824 -17.397 -6.713 1.00 0.00 C ATOM 738 C SER A 52 -4.010 -18.681 -5.903 1.00 0.00 C ATOM 739 O SER A 52 -3.063 -19.443 -5.713 1.00 0.00 O ATOM 740 CB SER A 52 -3.215 -17.715 -8.080 1.00 0.00 C ATOM 741 OG SER A 52 -4.057 -17.295 -9.151 1.00 0.00 O ATOM 0 H SER A 52 -2.069 -16.303 -6.377 1.00 0.00 H new ATOM 0 HA SER A 52 -4.797 -16.935 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.245 -17.225 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.038 -18.788 -8.157 1.00 0.00 H new ATOM 0 HG SER A 52 -3.632 -17.514 -10.006 1.00 0.00 H new ATOM 747 N SER A 53 -5.238 -18.882 -5.447 1.00 0.00 N ATOM 748 CA SER A 53 -5.561 -20.062 -4.662 1.00 0.00 C ATOM 749 C SER A 53 -4.693 -20.105 -3.403 1.00 0.00 C ATOM 750 O SER A 53 -3.474 -20.247 -3.490 1.00 0.00 O ATOM 751 CB SER A 53 -5.371 -21.339 -5.483 1.00 0.00 C ATOM 752 OG SER A 53 -6.190 -21.352 -6.648 1.00 0.00 O ATOM 0 H SER A 53 -6.021 -18.248 -5.606 1.00 0.00 H new ATOM 0 HA SER A 53 -6.610 -20.003 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.325 -21.430 -5.775 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.606 -22.206 -4.865 1.00 0.00 H new ATOM 0 HG SER A 53 -6.038 -22.183 -7.145 1.00 0.00 H new ATOM 758 N GLY A 54 -5.354 -19.982 -2.262 1.00 0.00 N ATOM 759 CA GLY A 54 -4.658 -20.005 -0.987 1.00 0.00 C ATOM 760 C GLY A 54 -5.217 -18.944 -0.037 1.00 0.00 C ATOM 761 O GLY A 54 -6.371 -19.024 0.380 1.00 0.00 O ATOM 0 H GLY A 54 -6.365 -19.866 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.755 -20.991 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.594 -19.831 -1.146 1.00 0.00 H new TER 765 GLY A 54