USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 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 8 THR OG1 : rot -87:sc= 1 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.0185 (180deg=-0.0832) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00816 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.9!) USER MOD Single : B 33 ASN : amide:sc= -0.167 K(o=-0.17,f=-3.3!) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-2.9!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 30:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0.294 K(o=0.29,f=-3.4!) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.775 1.743 -1.384 1.00 25.00 N ATOM 2 CA GLY A 1 3.530 0.767 -2.492 1.00 25.00 C ATOM 3 C GLY A 1 4.287 -0.538 -2.362 1.00 25.00 C ATOM 4 O GLY A 1 3.818 -1.602 -2.680 1.00 25.00 O ATOM 0 H1 GLY A 1 3.121 2.546 -1.478 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.619 1.275 -0.468 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.755 2.087 -1.435 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.463 0.550 -2.538 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.801 1.236 -3.438 1.00 25.00 H new ATOM 9 N ILE A 2 5.472 -0.455 -1.764 1.00 25.00 N ATOM 10 CA ILE A 2 6.332 -1.611 -1.526 1.00 25.00 C ATOM 11 C ILE A 2 5.580 -2.777 -0.878 1.00 25.00 C ATOM 12 O ILE A 2 5.712 -3.919 -1.300 1.00 25.00 O ATOM 13 CB ILE A 2 7.596 -1.225 -0.658 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.455 -2.468 -0.401 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.238 -0.474 0.660 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.856 -2.216 0.167 1.00 25.00 C ATOM 0 H ILE A 2 5.866 0.424 -1.428 1.00 25.00 H new ATOM 0 HA ILE A 2 6.672 -1.943 -2.507 1.00 25.00 H new ATOM 0 HB ILE A 2 8.180 -0.510 -1.237 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.918 -3.119 0.288 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.559 -3.013 -1.339 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.152 -0.240 1.205 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.712 0.450 0.421 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.599 -1.106 1.277 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.369 -3.168 0.307 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.424 -1.596 -0.527 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.773 -1.704 1.126 1.00 25.00 H new ATOM 28 N VAL A 3 4.808 -2.507 0.166 1.00 25.00 N ATOM 29 CA VAL A 3 4.123 -3.562 0.908 1.00 25.00 C ATOM 30 C VAL A 3 3.087 -4.310 0.040 1.00 25.00 C ATOM 31 O VAL A 3 3.250 -5.515 -0.219 1.00 25.00 O ATOM 32 CB VAL A 3 3.438 -3.032 2.161 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.833 -4.175 2.950 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.420 -2.250 3.091 1.00 25.00 C ATOM 0 H VAL A 3 4.639 -1.566 0.520 1.00 25.00 H new ATOM 0 HA VAL A 3 4.903 -4.264 1.204 1.00 25.00 H new ATOM 0 HB VAL A 3 2.662 -2.344 1.826 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.346 -3.783 3.843 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.098 -4.693 2.334 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.619 -4.872 3.241 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.883 -1.893 3.970 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.229 -2.911 3.404 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.835 -1.400 2.549 1.00 25.00 H new ATOM 44 N GLU A 4 2.100 -3.586 -0.496 1.00 25.00 N ATOM 45 CA GLU A 4 1.093 -4.209 -1.353 1.00 25.00 C ATOM 46 C GLU A 4 1.660 -4.809 -2.628 1.00 25.00 C ATOM 47 O GLU A 4 1.067 -5.766 -3.152 1.00 25.00 O ATOM 48 CB GLU A 4 -0.009 -3.204 -1.650 1.00 25.00 C ATOM 49 CG GLU A 4 0.419 -1.999 -2.573 1.00 25.00 C ATOM 50 CD GLU A 4 -0.625 -0.964 -2.634 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.741 -1.148 -2.268 1.00 25.00 O ATOM 52 OE2 GLU A 4 -0.192 0.159 -3.047 1.00 25.00 O ATOM 0 H GLU A 4 1.979 -2.583 -0.354 1.00 25.00 H new ATOM 0 HA GLU A 4 0.680 -5.056 -0.804 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.840 -3.728 -2.123 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.380 -2.805 -0.706 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.343 -1.562 -2.196 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.627 -2.366 -3.578 1.00 25.00 H new ATOM 60 N GLN A 5 2.788 -4.304 -3.125 1.00 25.00 N ATOM 61 CA GLN A 5 3.372 -4.889 -4.305 1.00 25.00 C ATOM 62 C GLN A 5 3.976 -6.275 -3.952 1.00 25.00 C ATOM 63 O GLN A 5 3.692 -7.243 -4.585 1.00 25.00 O ATOM 64 CB GLN A 5 4.414 -3.931 -4.904 1.00 25.00 C ATOM 65 CG GLN A 5 4.918 -4.411 -6.271 1.00 25.00 C ATOM 66 CD GLN A 5 5.139 -3.300 -7.227 1.00 25.00 C ATOM 67 OE1 GLN A 5 5.914 -2.406 -6.979 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.424 -3.303 -8.329 1.00 25.00 N ATOM 0 H GLN A 5 3.296 -3.511 -2.733 1.00 25.00 H new ATOM 0 HA GLN A 5 2.607 -5.047 -5.065 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.976 -2.938 -5.007 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.257 -3.838 -4.219 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.851 -4.959 -6.137 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.196 -5.109 -6.694 1.00 25.00 H new ATOM 0 HE21 GLN A 5 3.777 -4.069 -8.515 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.516 -2.539 -8.999 1.00 25.00 H new ATOM 77 N CYS A 6 4.823 -6.395 -2.928 1.00 25.00 N ATOM 78 CA CYS A 6 5.508 -7.691 -2.611 1.00 25.00 C ATOM 79 C CYS A 6 4.603 -8.737 -1.922 1.00 25.00 C ATOM 80 O CYS A 6 4.888 -9.945 -1.928 1.00 25.00 O ATOM 81 CB CYS A 6 6.756 -7.394 -1.789 1.00 25.00 C ATOM 82 SG CYS A 6 7.917 -6.259 -2.638 1.00 25.00 S ATOM 0 H CYS A 6 5.062 -5.630 -2.298 1.00 25.00 H new ATOM 0 HA CYS A 6 5.781 -8.158 -3.557 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.461 -6.957 -0.835 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.269 -8.330 -1.566 1.00 25.00 H new ATOM 87 N CYS A 7 3.478 -8.301 -1.401 1.00 25.00 N ATOM 88 CA CYS A 7 2.458 -9.189 -0.870 1.00 25.00 C ATOM 89 C CYS A 7 1.721 -9.894 -1.963 1.00 25.00 C ATOM 90 O CYS A 7 1.125 -10.928 -1.704 1.00 25.00 O ATOM 91 CB CYS A 7 1.487 -8.408 0.046 1.00 25.00 C ATOM 92 SG CYS A 7 2.290 -7.848 1.604 1.00 25.00 S ATOM 0 H CYS A 7 3.239 -7.312 -1.331 1.00 25.00 H new ATOM 0 HA CYS A 7 2.955 -9.953 -0.272 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.101 -7.542 -0.492 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.632 -9.040 0.288 1.00 25.00 H new ATOM 97 N THR A 8 1.696 -9.319 -3.187 1.00 25.00 N ATOM 98 CA THR A 8 0.881 -9.894 -4.274 1.00 25.00 C ATOM 99 C THR A 8 1.730 -10.270 -5.493 1.00 25.00 C ATOM 100 O THR A 8 1.286 -10.968 -6.393 1.00 25.00 O ATOM 101 CB THR A 8 -0.179 -8.872 -4.715 1.00 25.00 C ATOM 102 OG1 THR A 8 0.502 -7.679 -5.133 1.00 25.00 O ATOM 103 CG2 THR A 8 -1.114 -8.463 -3.562 1.00 25.00 C ATOM 0 H THR A 8 2.217 -8.479 -3.440 1.00 25.00 H new ATOM 0 HA THR A 8 0.414 -10.800 -3.887 1.00 25.00 H new ATOM 0 HB THR A 8 -0.771 -9.331 -5.507 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.655 -7.100 -4.357 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.844 -7.740 -3.925 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.633 -9.344 -3.184 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.528 -8.015 -2.760 1.00 25.00 H new ATOM 111 N SER A 9 2.990 -9.852 -5.490 1.00 25.00 N ATOM 112 CA SER A 9 3.906 -10.128 -6.566 1.00 25.00 C ATOM 113 C SER A 9 5.260 -10.595 -5.978 1.00 25.00 C ATOM 114 O SER A 9 5.497 -10.475 -4.772 1.00 25.00 O ATOM 115 CB SER A 9 4.180 -8.824 -7.375 1.00 25.00 C ATOM 116 OG SER A 9 2.982 -8.211 -7.689 1.00 25.00 O ATOM 0 H SER A 9 3.398 -9.308 -4.730 1.00 25.00 H new ATOM 0 HA SER A 9 3.469 -10.894 -7.207 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.804 -8.147 -6.792 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.730 -9.059 -8.287 1.00 25.00 H new ATOM 0 HG SER A 9 3.157 -7.391 -8.196 1.00 25.00 H new ATOM 122 N ILE A 10 6.112 -11.186 -6.785 1.00 25.00 N ATOM 123 CA ILE A 10 7.424 -11.615 -6.316 1.00 25.00 C ATOM 124 C ILE A 10 8.379 -10.495 -6.665 1.00 25.00 C ATOM 125 O ILE A 10 8.517 -10.120 -7.815 1.00 25.00 O ATOM 126 CB ILE A 10 7.917 -12.947 -6.982 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.836 -14.084 -6.838 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.230 -13.417 -6.273 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.181 -15.401 -7.524 1.00 25.00 C ATOM 0 H ILE A 10 5.927 -11.383 -7.768 1.00 25.00 H new ATOM 0 HA ILE A 10 7.374 -11.818 -5.246 1.00 25.00 H new ATOM 0 HB ILE A 10 8.093 -12.758 -8.041 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.675 -14.277 -5.777 1.00 25.00 H new ATOM 0 HG13 ILE A 10 5.892 -13.719 -7.243 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.579 -14.343 -6.730 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.996 -12.649 -6.379 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.031 -13.588 -5.215 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.374 -16.116 -7.365 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.311 -15.231 -8.593 1.00 25.00 H new ATOM 0 HD13 ILE A 10 8.105 -15.798 -7.105 1.00 25.00 H new ATOM 141 N CYS A 11 8.934 -9.914 -5.617 1.00 25.00 N ATOM 142 CA CYS A 11 9.921 -8.858 -5.692 1.00 25.00 C ATOM 143 C CYS A 11 11.315 -9.455 -5.677 1.00 25.00 C ATOM 144 O CYS A 11 11.745 -9.953 -4.694 1.00 25.00 O ATOM 145 CB CYS A 11 9.762 -7.928 -4.470 1.00 25.00 C ATOM 146 SG CYS A 11 8.142 -7.046 -4.501 1.00 25.00 S ATOM 0 H CYS A 11 8.701 -10.175 -4.659 1.00 25.00 H new ATOM 0 HA CYS A 11 9.776 -8.295 -6.614 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.842 -8.512 -3.553 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.574 -7.201 -4.456 1.00 25.00 H new ATOM 151 N SER A 12 12.014 -9.411 -6.797 1.00 25.00 N ATOM 152 CA SER A 12 13.378 -9.935 -6.879 1.00 25.00 C ATOM 153 C SER A 12 14.239 -9.135 -5.935 1.00 25.00 C ATOM 154 O SER A 12 13.964 -7.999 -5.634 1.00 25.00 O ATOM 155 CB SER A 12 13.935 -9.842 -8.316 1.00 25.00 C ATOM 156 OG SER A 12 15.279 -10.307 -8.438 1.00 25.00 O ATOM 0 H SER A 12 11.663 -9.017 -7.670 1.00 25.00 H new ATOM 0 HA SER A 12 13.378 -10.989 -6.603 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.297 -10.422 -8.983 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.886 -8.805 -8.650 1.00 25.00 H new ATOM 0 HG SER A 12 15.571 -10.223 -9.370 1.00 25.00 H new ATOM 162 N LEU A 13 15.359 -9.739 -5.480 1.00 25.00 N ATOM 163 CA LEU A 13 16.342 -9.004 -4.676 1.00 25.00 C ATOM 164 C LEU A 13 16.945 -7.867 -5.469 1.00 25.00 C ATOM 165 O LEU A 13 17.206 -6.808 -4.927 1.00 25.00 O ATOM 166 CB LEU A 13 17.485 -9.902 -4.131 1.00 25.00 C ATOM 167 CG LEU A 13 18.613 -10.322 -5.092 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.782 -10.914 -4.290 1.00 25.00 C ATOM 169 CD2 LEU A 13 18.089 -11.379 -6.102 1.00 25.00 C ATOM 0 H LEU A 13 15.596 -10.715 -5.655 1.00 25.00 H new ATOM 0 HA LEU A 13 15.790 -8.616 -3.820 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.943 -9.381 -3.290 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.032 -10.811 -3.735 1.00 25.00 H new ATOM 0 HG LEU A 13 18.955 -9.444 -5.640 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.578 -11.210 -4.973 1.00 25.00 H new ATOM 0 HD12 LEU A 13 20.161 -10.166 -3.593 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.437 -11.786 -3.734 1.00 25.00 H new ATOM 0 HD21 LEU A 13 18.895 -11.669 -6.776 1.00 25.00 H new ATOM 0 HD22 LEU A 13 17.736 -12.257 -5.560 1.00 25.00 H new ATOM 0 HD23 LEU A 13 17.268 -10.955 -6.679 1.00 25.00 H new ATOM 181 N TYR A 14 17.019 -8.047 -6.789 1.00 25.00 N ATOM 182 CA TYR A 14 17.490 -6.989 -7.694 1.00 25.00 C ATOM 183 C TYR A 14 16.597 -5.746 -7.557 1.00 25.00 C ATOM 184 O TYR A 14 17.057 -4.622 -7.685 1.00 25.00 O ATOM 185 CB TYR A 14 17.437 -7.489 -9.140 1.00 25.00 C ATOM 186 CG TYR A 14 18.231 -6.685 -10.138 1.00 25.00 C ATOM 187 CD1 TYR A 14 19.620 -6.861 -10.272 1.00 25.00 C ATOM 188 CD2 TYR A 14 17.584 -5.708 -10.937 1.00 25.00 C ATOM 189 CE1 TYR A 14 20.340 -6.106 -11.186 1.00 25.00 C ATOM 190 CE2 TYR A 14 18.299 -4.929 -11.845 1.00 25.00 C ATOM 191 CZ TYR A 14 19.689 -5.122 -11.974 1.00 25.00 C ATOM 192 OH TYR A 14 20.385 -4.389 -12.894 1.00 25.00 O ATOM 0 H TYR A 14 16.759 -8.915 -7.258 1.00 25.00 H new ATOM 0 HA TYR A 14 18.515 -6.729 -7.432 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.795 -8.518 -9.163 1.00 25.00 H new ATOM 0 HB3 TYR A 14 16.396 -7.507 -9.461 1.00 25.00 H new ATOM 0 HD1 TYR A 14 20.130 -7.589 -9.659 1.00 25.00 H new ATOM 0 HD2 TYR A 14 16.518 -5.565 -10.840 1.00 25.00 H new ATOM 0 HE1 TYR A 14 21.402 -6.268 -11.298 1.00 25.00 H new ATOM 0 HE2 TYR A 14 17.793 -4.186 -12.443 1.00 25.00 H new ATOM 0 HH TYR A 14 19.777 -3.764 -13.342 1.00 25.00 H new ATOM 202 N GLN A 15 15.310 -5.984 -7.319 1.00 25.00 N ATOM 203 CA GLN A 15 14.353 -4.899 -7.136 1.00 25.00 C ATOM 204 C GLN A 15 14.313 -4.386 -5.704 1.00 25.00 C ATOM 205 O GLN A 15 14.258 -3.186 -5.461 1.00 25.00 O ATOM 206 CB GLN A 15 12.937 -5.363 -7.531 1.00 25.00 C ATOM 207 CG GLN A 15 11.970 -4.275 -7.841 1.00 25.00 C ATOM 208 CD GLN A 15 11.983 -3.942 -9.335 1.00 25.00 C ATOM 209 OE1 GLN A 15 12.944 -3.512 -9.870 1.00 25.00 O ATOM 210 NE2 GLN A 15 10.930 -4.167 -10.002 1.00 25.00 N ATOM 0 H GLN A 15 14.907 -6.918 -7.249 1.00 25.00 H new ATOM 0 HA GLN A 15 14.685 -4.084 -7.780 1.00 25.00 H new ATOM 0 HB2 GLN A 15 13.016 -6.014 -8.402 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.531 -5.966 -6.719 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.967 -4.578 -7.541 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.220 -3.385 -7.264 1.00 25.00 H new ATOM 0 HE21 GLN A 15 10.102 -4.538 -9.537 1.00 25.00 H new ATOM 0 HE22 GLN A 15 10.911 -3.977 -11.004 1.00 25.00 H new ATOM 219 N LEU A 16 14.390 -5.318 -4.736 1.00 25.00 N ATOM 220 CA LEU A 16 14.363 -4.996 -3.318 1.00 25.00 C ATOM 221 C LEU A 16 15.537 -4.079 -2.953 1.00 25.00 C ATOM 222 O LEU A 16 15.345 -3.132 -2.212 1.00 25.00 O ATOM 223 CB LEU A 16 14.410 -6.296 -2.515 1.00 25.00 C ATOM 224 CG LEU A 16 14.167 -6.196 -0.991 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.677 -5.896 -0.688 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.579 -7.535 -0.339 1.00 25.00 C ATOM 0 H LEU A 16 14.473 -6.316 -4.928 1.00 25.00 H new ATOM 0 HA LEU A 16 13.444 -4.461 -3.079 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.668 -6.977 -2.931 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.386 -6.755 -2.672 1.00 25.00 H new ATOM 0 HG LEU A 16 14.762 -5.379 -0.583 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.531 -5.830 0.390 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.395 -4.950 -1.151 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.056 -6.696 -1.090 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.414 -7.482 0.737 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.980 -8.343 -0.758 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.634 -7.726 -0.535 1.00 25.00 H new ATOM 238 N GLU A 17 16.739 -4.306 -3.477 1.00 25.00 N ATOM 239 CA GLU A 17 17.860 -3.448 -3.153 1.00 25.00 C ATOM 240 C GLU A 17 17.674 -1.983 -3.622 1.00 25.00 C ATOM 241 O GLU A 17 18.209 -1.075 -3.019 1.00 25.00 O ATOM 242 CB GLU A 17 19.148 -4.018 -3.730 1.00 25.00 C ATOM 243 CG GLU A 17 19.156 -4.166 -5.217 1.00 25.00 C ATOM 244 CD GLU A 17 20.420 -4.775 -5.712 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.145 -4.255 -6.491 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.664 -5.934 -5.212 1.00 25.00 O ATOM 0 H GLU A 17 16.954 -5.069 -4.119 1.00 25.00 H new ATOM 0 HA GLU A 17 17.917 -3.422 -2.065 1.00 25.00 H new ATOM 0 HB2 GLU A 17 19.977 -3.373 -3.439 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.330 -4.994 -3.281 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.312 -4.784 -5.524 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.020 -3.188 -5.679 1.00 25.00 H new ATOM 254 N ASN A 18 16.860 -1.753 -4.656 1.00 25.00 N ATOM 255 CA ASN A 18 16.569 -0.394 -5.149 1.00 25.00 C ATOM 256 C ASN A 18 15.770 0.426 -4.136 1.00 25.00 C ATOM 257 O ASN A 18 15.820 1.658 -4.170 1.00 25.00 O ATOM 258 CB ASN A 18 15.810 -0.513 -6.482 1.00 25.00 C ATOM 259 CG ASN A 18 15.719 0.801 -7.231 1.00 25.00 C ATOM 260 OD1 ASN A 18 16.709 1.433 -7.523 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.532 1.158 -7.618 1.00 25.00 N ATOM 0 H ASN A 18 16.386 -2.492 -5.174 1.00 25.00 H new ATOM 0 HA ASN A 18 17.509 0.137 -5.299 1.00 25.00 H new ATOM 0 HB2 ASN A 18 16.307 -1.250 -7.112 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.804 -0.885 -6.289 1.00 25.00 H new ATOM 0 HD21 ASN A 18 14.412 1.996 -8.187 1.00 25.00 H new ATOM 0 HD22 ASN A 18 13.720 0.601 -7.353 1.00 25.00 H new ATOM 268 N TYR A 19 15.050 -0.256 -3.256 1.00 25.00 N ATOM 269 CA TYR A 19 14.307 0.472 -2.188 1.00 25.00 C ATOM 270 C TYR A 19 15.268 1.008 -1.139 1.00 25.00 C ATOM 271 O TYR A 19 14.918 1.879 -0.379 1.00 25.00 O ATOM 272 CB TYR A 19 13.298 -0.397 -1.429 1.00 25.00 C ATOM 273 CG TYR A 19 12.171 -0.988 -2.269 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.232 -0.187 -2.915 1.00 25.00 C ATOM 275 CD2 TYR A 19 12.063 -2.377 -2.434 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.157 -0.759 -3.671 1.00 25.00 C ATOM 277 CE2 TYR A 19 11.017 -2.932 -3.194 1.00 25.00 C ATOM 278 CZ TYR A 19 10.081 -2.130 -3.794 1.00 25.00 C ATOM 279 OH TYR A 19 9.079 -2.702 -4.516 1.00 25.00 O ATOM 0 H TYR A 19 14.953 -1.271 -3.241 1.00 25.00 H new ATOM 0 HA TYR A 19 13.775 1.263 -2.716 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.838 -1.215 -0.951 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.857 0.202 -0.632 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.316 0.887 -2.845 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.791 -3.028 -1.972 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.417 -0.125 -4.137 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.951 -4.004 -3.306 1.00 25.00 H new ATOM 0 HH TYR A 19 9.179 -3.677 -4.499 1.00 25.00 H new ATOM 289 N CYS A 20 16.451 0.437 -1.107 1.00 25.00 N ATOM 290 CA CYS A 20 17.476 0.783 -0.099 1.00 25.00 C ATOM 291 C CYS A 20 18.410 1.874 -0.631 1.00 25.00 C ATOM 292 O CYS A 20 19.444 2.185 -0.055 1.00 25.00 O ATOM 293 CB CYS A 20 18.368 -0.441 0.302 1.00 25.00 C ATOM 294 SG CYS A 20 19.102 -0.309 1.986 1.00 25.00 S ATOM 0 H CYS A 20 16.747 -0.280 -1.769 1.00 25.00 H new ATOM 0 HA CYS A 20 16.925 1.126 0.777 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.767 -1.349 0.248 1.00 25.00 H new ATOM 0 HB3 CYS A 20 19.172 -0.547 -0.427 1.00 25.00 H new ATOM 299 N ASN A 21 18.047 2.500 -1.717 1.00 25.00 N ATOM 300 CA ASN A 21 18.908 3.577 -2.238 1.00 25.00 C ATOM 301 C ASN A 21 18.056 4.501 -3.075 1.00 25.00 C ATOM 302 O ASN A 21 16.950 4.321 -3.481 1.00 25.00 O ATOM 303 CB ASN A 21 20.138 3.045 -3.005 1.00 25.00 C ATOM 304 CG ASN A 21 19.767 2.271 -4.216 1.00 25.00 C ATOM 305 OD1 ASN A 21 19.141 2.719 -5.122 1.00 25.00 O ATOM 306 ND2 ASN A 21 20.269 1.061 -4.302 1.00 25.00 N ATOM 307 OXT ASN A 21 18.613 5.646 -3.184 1.00 25.00 O ATOM 0 H ASN A 21 17.201 2.310 -2.254 1.00 25.00 H new ATOM 0 HA ASN A 21 19.330 4.133 -1.401 1.00 25.00 H new ATOM 0 HB2 ASN A 21 20.771 3.884 -3.295 1.00 25.00 H new ATOM 0 HB3 ASN A 21 20.729 2.413 -2.342 1.00 25.00 H new ATOM 0 HD21 ASN A 21 20.122 0.507 -5.145 1.00 25.00 H new ATOM 0 HD22 ASN A 21 20.806 0.675 -3.525 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 18.664 -14.451 -2.599 1.00 25.00 N ATOM 317 CA PHE B 31 17.889 -15.369 -1.684 1.00 25.00 C ATOM 318 C PHE B 31 16.690 -16.042 -2.334 1.00 25.00 C ATOM 319 O PHE B 31 16.410 -15.886 -3.489 1.00 25.00 O ATOM 320 CB PHE B 31 17.542 -14.491 -0.430 1.00 25.00 C ATOM 321 CG PHE B 31 16.471 -13.441 -0.652 1.00 25.00 C ATOM 322 CD1 PHE B 31 15.159 -13.826 -0.485 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.810 -12.132 -0.972 1.00 25.00 C ATOM 324 CE1 PHE B 31 14.132 -12.895 -0.659 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.766 -11.216 -1.159 1.00 25.00 C ATOM 326 CZ PHE B 31 14.448 -11.609 -0.996 1.00 25.00 C ATOM 0 HA PHE B 31 18.484 -16.238 -1.403 1.00 25.00 H new ATOM 0 HB2 PHE B 31 17.220 -15.150 0.377 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.451 -13.994 -0.092 1.00 25.00 H new ATOM 0 HD1 PHE B 31 14.925 -14.846 -0.220 1.00 25.00 H new ATOM 0 HD2 PHE B 31 17.842 -11.831 -1.073 1.00 25.00 H new ATOM 0 HE1 PHE B 31 13.101 -13.188 -0.529 1.00 25.00 H new ATOM 0 HE2 PHE B 31 15.991 -10.196 -1.432 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.657 -10.887 -1.138 1.00 25.00 H new ATOM 337 N VAL B 32 15.970 -16.861 -1.580 1.00 25.00 N ATOM 338 CA VAL B 32 14.790 -17.589 -2.074 1.00 25.00 C ATOM 339 C VAL B 32 13.774 -16.622 -2.686 1.00 25.00 C ATOM 340 O VAL B 32 13.406 -15.628 -2.095 1.00 25.00 O ATOM 341 CB VAL B 32 14.128 -18.484 -0.927 1.00 25.00 C ATOM 342 CG1 VAL B 32 13.617 -17.672 0.252 1.00 25.00 C ATOM 343 CG2 VAL B 32 12.947 -19.368 -1.532 1.00 25.00 C ATOM 0 H VAL B 32 16.183 -17.046 -0.600 1.00 25.00 H new ATOM 0 HA VAL B 32 15.122 -18.269 -2.858 1.00 25.00 H new ATOM 0 HB VAL B 32 14.919 -19.128 -0.543 1.00 25.00 H new ATOM 0 HG11 VAL B 32 13.180 -18.342 0.993 1.00 25.00 H new ATOM 0 HG12 VAL B 32 14.444 -17.123 0.702 1.00 25.00 H new ATOM 0 HG13 VAL B 32 12.859 -16.968 -0.092 1.00 25.00 H new ATOM 0 HG21 VAL B 32 12.504 -19.973 -0.741 1.00 25.00 H new ATOM 0 HG22 VAL B 32 12.186 -18.715 -1.959 1.00 25.00 H new ATOM 0 HG23 VAL B 32 13.343 -20.021 -2.310 1.00 25.00 H new ATOM 353 N ASN B 33 13.359 -16.894 -3.909 1.00 25.00 N ATOM 354 CA ASN B 33 12.423 -16.005 -4.570 1.00 25.00 C ATOM 355 C ASN B 33 10.954 -16.411 -4.219 1.00 25.00 C ATOM 356 O ASN B 33 10.388 -17.427 -4.674 1.00 25.00 O ATOM 357 CB ASN B 33 12.682 -16.042 -6.042 1.00 25.00 C ATOM 358 CG ASN B 33 12.376 -17.395 -6.627 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.032 -18.376 -6.310 1.00 25.00 O ATOM 360 ND2 ASN B 33 11.372 -17.468 -7.451 1.00 25.00 N ATOM 0 H ASN B 33 13.648 -17.706 -4.455 1.00 25.00 H new ATOM 0 HA ASN B 33 12.561 -14.981 -4.223 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.074 -15.285 -6.538 1.00 25.00 H new ATOM 0 HB3 ASN B 33 13.725 -15.790 -6.235 1.00 25.00 H new ATOM 0 HD21 ASN B 33 11.109 -18.366 -7.856 1.00 25.00 H new ATOM 0 HD22 ASN B 33 10.848 -16.627 -7.692 1.00 25.00 H new ATOM 367 N GLN B 34 10.343 -15.624 -3.360 1.00 25.00 N ATOM 368 CA GLN B 34 9.024 -15.962 -2.806 1.00 25.00 C ATOM 369 C GLN B 34 8.215 -14.650 -2.681 1.00 25.00 C ATOM 370 O GLN B 34 8.792 -13.589 -2.619 1.00 25.00 O ATOM 371 CB GLN B 34 9.273 -16.552 -1.391 1.00 25.00 C ATOM 372 CG GLN B 34 8.113 -17.322 -0.744 1.00 25.00 C ATOM 373 CD GLN B 34 8.572 -18.021 0.475 1.00 25.00 C ATOM 374 OE1 GLN B 34 8.673 -17.408 1.564 1.00 25.00 O ATOM 375 NE2 GLN B 34 8.921 -19.271 0.319 1.00 25.00 N ATOM 0 H GLN B 34 10.728 -14.742 -3.022 1.00 25.00 H new ATOM 0 HA GLN B 34 8.481 -16.671 -3.431 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.133 -17.220 -1.449 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.549 -15.733 -0.726 1.00 25.00 H new ATOM 0 HG2 GLN B 34 7.306 -16.633 -0.493 1.00 25.00 H new ATOM 0 HG3 GLN B 34 7.707 -18.044 -1.453 1.00 25.00 H new ATOM 0 HE21 GLN B 34 8.817 -19.720 -0.591 1.00 25.00 H new ATOM 0 HE22 GLN B 34 9.298 -19.798 1.107 1.00 25.00 H new ATOM 384 N HIS B 35 6.894 -14.744 -2.522 1.00 25.00 N ATOM 385 CA HIS B 35 6.090 -13.559 -2.192 1.00 25.00 C ATOM 386 C HIS B 35 6.535 -13.178 -0.780 1.00 25.00 C ATOM 387 O HIS B 35 6.976 -14.020 -0.014 1.00 25.00 O ATOM 388 CB HIS B 35 4.584 -13.902 -2.249 1.00 25.00 C ATOM 389 CG HIS B 35 4.052 -14.134 -3.644 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.077 -13.150 -4.628 1.00 25.00 N ATOM 391 CD2 HIS B 35 3.438 -15.215 -4.243 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.521 -13.640 -5.721 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.163 -14.882 -5.526 1.00 25.00 N ATOM 0 H HIS B 35 6.363 -15.610 -2.614 1.00 25.00 H new ATOM 0 HA HIS B 35 6.234 -12.736 -2.892 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.404 -14.795 -1.651 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.021 -13.091 -1.788 1.00 25.00 H new ATOM 0 HD2 HIS B 35 3.216 -16.161 -3.771 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.382 -13.094 -6.642 1.00 25.00 H new ATOM 0 HE2 HIS B 35 2.746 -15.498 -6.224 1.00 25.00 H new ATOM 402 N LEU B 36 6.559 -11.879 -0.488 1.00 25.00 N ATOM 403 CA LEU B 36 7.100 -11.353 0.776 1.00 25.00 C ATOM 404 C LEU B 36 6.063 -10.466 1.494 1.00 25.00 C ATOM 405 O LEU B 36 5.811 -9.325 1.082 1.00 25.00 O ATOM 406 CB LEU B 36 8.391 -10.560 0.529 1.00 25.00 C ATOM 407 CG LEU B 36 9.741 -11.225 0.926 1.00 25.00 C ATOM 408 CD1 LEU B 36 9.921 -12.644 0.401 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.861 -10.357 0.378 1.00 25.00 C ATOM 0 H LEU B 36 6.206 -11.157 -1.116 1.00 25.00 H new ATOM 0 HA LEU B 36 7.330 -12.204 1.417 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.437 -10.318 -0.533 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.312 -9.616 1.068 1.00 25.00 H new ATOM 0 HG LEU B 36 9.755 -11.301 2.013 1.00 25.00 H new ATOM 0 HD11 LEU B 36 10.887 -13.031 0.724 1.00 25.00 H new ATOM 0 HD12 LEU B 36 9.126 -13.280 0.791 1.00 25.00 H new ATOM 0 HD13 LEU B 36 9.878 -12.637 -0.688 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.823 -10.797 0.640 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.774 -10.293 -0.707 1.00 25.00 H new ATOM 0 HD23 LEU B 36 10.790 -9.358 0.807 1.00 25.00 H new ATOM 421 N CYS B 37 5.458 -10.997 2.549 1.00 25.00 N ATOM 422 CA CYS B 37 4.431 -10.311 3.326 1.00 25.00 C ATOM 423 C CYS B 37 4.489 -10.731 4.791 1.00 25.00 C ATOM 424 O CYS B 37 4.714 -11.901 5.087 1.00 25.00 O ATOM 425 CB CYS B 37 3.063 -10.621 2.776 1.00 25.00 C ATOM 426 SG CYS B 37 1.831 -9.311 3.020 1.00 25.00 S ATOM 0 H CYS B 37 5.670 -11.933 2.895 1.00 25.00 H new ATOM 0 HA CYS B 37 4.618 -9.240 3.255 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.153 -10.822 1.708 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.698 -11.536 3.243 1.00 25.00 H new ATOM 431 N GLY B 38 4.312 -9.801 5.718 1.00 25.00 N ATOM 432 CA GLY B 38 4.259 -10.142 7.148 1.00 25.00 C ATOM 433 C GLY B 38 5.608 -10.472 7.797 1.00 25.00 C ATOM 434 O GLY B 38 6.027 -11.599 7.792 1.00 25.00 O ATOM 0 H GLY B 38 4.202 -8.807 5.516 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.811 -9.307 7.687 1.00 25.00 H new ATOM 0 HA3 GLY B 38 3.595 -10.997 7.276 1.00 25.00 H new ATOM 438 N SER B 39 6.291 -9.438 8.277 1.00 25.00 N ATOM 439 CA SER B 39 7.687 -9.507 8.819 1.00 25.00 C ATOM 440 C SER B 39 8.788 -9.957 7.853 1.00 25.00 C ATOM 441 O SER B 39 9.863 -9.369 7.793 1.00 25.00 O ATOM 442 CB SER B 39 7.769 -10.362 10.068 1.00 25.00 C ATOM 443 OG SER B 39 6.775 -9.976 10.999 1.00 25.00 O ATOM 0 H SER B 39 5.900 -8.497 8.311 1.00 25.00 H new ATOM 0 HA SER B 39 7.892 -8.459 9.036 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.642 -11.412 9.806 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.756 -10.263 10.519 1.00 25.00 H new ATOM 0 HG SER B 39 6.840 -10.538 11.799 1.00 25.00 H new ATOM 449 N HIS B 40 8.539 -10.985 7.068 1.00 25.00 N ATOM 450 CA HIS B 40 9.501 -11.485 6.088 1.00 25.00 C ATOM 451 C HIS B 40 10.002 -10.434 5.091 1.00 25.00 C ATOM 452 O HIS B 40 11.182 -10.341 4.803 1.00 25.00 O ATOM 453 CB HIS B 40 8.951 -12.692 5.342 1.00 25.00 C ATOM 454 CG HIS B 40 9.663 -13.974 5.636 1.00 25.00 C ATOM 455 ND1 HIS B 40 10.759 -14.473 4.891 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.481 -14.902 6.620 1.00 25.00 C ATOM 457 CE1 HIS B 40 11.138 -15.616 5.413 1.00 25.00 C ATOM 458 NE2 HIS B 40 10.417 -15.868 6.473 1.00 25.00 N ATOM 0 H HIS B 40 7.661 -11.505 7.086 1.00 25.00 H new ATOM 0 HA HIS B 40 10.370 -11.779 6.677 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.897 -12.810 5.592 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.004 -12.498 4.271 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.720 -14.871 7.385 1.00 25.00 H new ATOM 0 HE1 HIS B 40 11.923 -16.249 5.027 1.00 25.00 H new ATOM 0 HE2 HIS B 40 10.540 -16.668 7.093 1.00 25.00 H new ATOM 467 N LEU B 41 9.092 -9.560 4.635 1.00 25.00 N ATOM 468 CA LEU B 41 9.462 -8.459 3.731 1.00 25.00 C ATOM 469 C LEU B 41 10.560 -7.515 4.299 1.00 25.00 C ATOM 470 O LEU B 41 11.566 -7.294 3.675 1.00 25.00 O ATOM 471 CB LEU B 41 8.207 -7.650 3.392 1.00 25.00 C ATOM 472 CG LEU B 41 8.380 -6.438 2.443 1.00 25.00 C ATOM 473 CD1 LEU B 41 8.987 -6.746 1.136 1.00 25.00 C ATOM 474 CD2 LEU B 41 6.964 -5.829 2.287 1.00 25.00 C ATOM 0 H LEU B 41 8.101 -9.593 4.875 1.00 25.00 H new ATOM 0 HA LEU B 41 9.892 -8.915 2.839 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.479 -8.327 2.945 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.776 -7.289 4.326 1.00 25.00 H new ATOM 0 HG LEU B 41 9.095 -5.741 2.880 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.064 -5.832 0.546 1.00 25.00 H new ATOM 0 HD12 LEU B 41 9.981 -7.166 1.287 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.365 -7.468 0.607 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.011 -4.964 1.626 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.292 -6.575 1.862 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.591 -5.520 3.264 1.00 25.00 H new ATOM 486 N VAL B 42 10.358 -6.967 5.499 1.00 25.00 N ATOM 487 CA VAL B 42 11.313 -6.059 6.107 1.00 25.00 C ATOM 488 C VAL B 42 12.557 -6.831 6.520 1.00 25.00 C ATOM 489 O VAL B 42 13.665 -6.291 6.478 1.00 25.00 O ATOM 490 CB VAL B 42 10.629 -5.323 7.293 1.00 25.00 C ATOM 491 CG1 VAL B 42 10.438 -6.205 8.518 1.00 25.00 C ATOM 492 CG2 VAL B 42 11.443 -4.085 7.739 1.00 25.00 C ATOM 0 H VAL B 42 9.530 -7.143 6.068 1.00 25.00 H new ATOM 0 HA VAL B 42 11.636 -5.298 5.397 1.00 25.00 H new ATOM 0 HB VAL B 42 9.652 -5.029 6.909 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.956 -5.630 9.309 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.813 -7.059 8.257 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.408 -6.558 8.867 1.00 25.00 H new ATOM 0 HG21 VAL B 42 10.935 -3.595 8.570 1.00 25.00 H new ATOM 0 HG22 VAL B 42 12.438 -4.398 8.056 1.00 25.00 H new ATOM 0 HG23 VAL B 42 11.531 -3.388 6.906 1.00 25.00 H new ATOM 502 N GLU B 43 12.411 -8.089 6.860 1.00 25.00 N ATOM 503 CA GLU B 43 13.596 -8.931 7.267 1.00 25.00 C ATOM 504 C GLU B 43 14.562 -9.055 6.052 1.00 25.00 C ATOM 505 O GLU B 43 15.787 -8.871 6.183 1.00 25.00 O ATOM 506 CB GLU B 43 13.135 -10.320 7.693 1.00 25.00 C ATOM 507 CG GLU B 43 14.259 -11.215 8.303 1.00 25.00 C ATOM 508 CD GLU B 43 13.764 -12.568 8.648 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.671 -12.998 8.343 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.623 -13.309 9.268 1.00 25.00 O ATOM 0 H GLU B 43 11.516 -8.579 6.875 1.00 25.00 H new ATOM 0 HA GLU B 43 14.105 -8.459 8.107 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.334 -10.215 8.425 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.711 -10.830 6.828 1.00 25.00 H new ATOM 0 HG2 GLU B 43 15.081 -11.300 7.592 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.659 -10.736 9.197 1.00 25.00 H new ATOM 518 N ALA B 44 14.010 -9.401 4.900 1.00 25.00 N ATOM 519 CA ALA B 44 14.774 -9.509 3.650 1.00 25.00 C ATOM 520 C ALA B 44 15.363 -8.125 3.239 1.00 25.00 C ATOM 521 O ALA B 44 16.515 -8.044 2.806 1.00 25.00 O ATOM 522 CB ALA B 44 13.889 -10.085 2.538 1.00 25.00 C ATOM 0 H ALA B 44 13.018 -9.617 4.797 1.00 25.00 H new ATOM 0 HA ALA B 44 15.610 -10.190 3.810 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.466 -10.160 1.616 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.538 -11.075 2.829 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.033 -9.429 2.378 1.00 25.00 H new ATOM 528 N LEU B 45 14.568 -7.090 3.384 1.00 25.00 N ATOM 529 CA LEU B 45 15.044 -5.728 3.132 1.00 25.00 C ATOM 530 C LEU B 45 16.209 -5.407 4.069 1.00 25.00 C ATOM 531 O LEU B 45 17.212 -4.845 3.647 1.00 25.00 O ATOM 532 CB LEU B 45 13.888 -4.769 3.325 1.00 25.00 C ATOM 533 CG LEU B 45 14.203 -3.290 3.010 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.573 -3.026 1.479 1.00 25.00 C ATOM 535 CD2 LEU B 45 12.980 -2.451 3.331 1.00 25.00 C ATOM 0 H LEU B 45 13.592 -7.153 3.673 1.00 25.00 H new ATOM 0 HA LEU B 45 15.410 -5.631 2.110 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.060 -5.090 2.693 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.546 -4.839 4.358 1.00 25.00 H new ATOM 0 HG LEU B 45 15.070 -3.023 3.615 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.782 -1.966 1.333 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.454 -3.610 1.212 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.736 -3.322 0.846 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.190 -1.404 3.113 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.139 -2.787 2.724 1.00 25.00 H new ATOM 0 HD23 LEU B 45 12.732 -2.559 4.387 1.00 25.00 H new ATOM 547 N TYR B 46 16.130 -5.801 5.328 1.00 25.00 N ATOM 548 CA TYR B 46 17.261 -5.585 6.226 1.00 25.00 C ATOM 549 C TYR B 46 18.492 -6.281 5.753 1.00 25.00 C ATOM 550 O TYR B 46 19.594 -5.690 5.813 1.00 25.00 O ATOM 551 CB TYR B 46 16.901 -6.085 7.657 1.00 25.00 C ATOM 552 CG TYR B 46 17.962 -5.764 8.644 1.00 25.00 C ATOM 553 CD1 TYR B 46 19.106 -6.550 8.742 1.00 25.00 C ATOM 554 CD2 TYR B 46 17.798 -4.699 9.507 1.00 25.00 C ATOM 555 CE1 TYR B 46 20.106 -6.217 9.676 1.00 25.00 C ATOM 556 CE2 TYR B 46 18.736 -4.407 10.510 1.00 25.00 C ATOM 557 CZ TYR B 46 19.911 -5.176 10.577 1.00 25.00 C ATOM 558 OH TYR B 46 20.863 -4.912 11.517 1.00 25.00 O ATOM 0 H TYR B 46 15.321 -6.260 5.747 1.00 25.00 H new ATOM 0 HA TYR B 46 17.467 -4.515 6.242 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.962 -5.631 7.974 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.742 -7.163 7.634 1.00 25.00 H new ATOM 0 HD1 TYR B 46 19.227 -7.413 8.104 1.00 25.00 H new ATOM 0 HD2 TYR B 46 16.924 -4.073 9.408 1.00 25.00 H new ATOM 0 HE1 TYR B 46 21.031 -6.774 9.693 1.00 25.00 H new ATOM 0 HE2 TYR B 46 18.559 -3.608 11.215 1.00 25.00 H new ATOM 0 HH TYR B 46 21.745 -5.159 11.168 1.00 25.00 H new ATOM 568 N LEU B 47 18.343 -7.511 5.330 1.00 25.00 N ATOM 569 CA LEU B 47 19.492 -8.255 4.874 1.00 25.00 C ATOM 570 C LEU B 47 20.105 -7.691 3.636 1.00 25.00 C ATOM 571 O LEU B 47 21.327 -7.825 3.460 1.00 25.00 O ATOM 572 CB LEU B 47 19.100 -9.698 4.606 1.00 25.00 C ATOM 573 CG LEU B 47 18.752 -10.510 5.851 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.918 -11.750 5.479 1.00 25.00 C ATOM 575 CD2 LEU B 47 20.028 -10.898 6.577 1.00 25.00 C ATOM 0 H LEU B 47 17.455 -8.012 5.291 1.00 25.00 H new ATOM 0 HA LEU B 47 20.234 -8.190 5.670 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.243 -9.708 3.932 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.921 -10.192 4.085 1.00 25.00 H new ATOM 0 HG LEU B 47 18.144 -9.900 6.519 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.682 -12.314 6.382 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.993 -11.435 4.995 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.488 -12.380 4.796 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.779 -11.478 7.466 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.654 -11.497 5.917 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.568 -9.998 6.871 1.00 25.00 H new ATOM 587 N VAL B 48 19.277 -7.140 2.731 1.00 25.00 N ATOM 588 CA VAL B 48 19.818 -6.659 1.467 1.00 25.00 C ATOM 589 C VAL B 48 20.458 -5.290 1.686 1.00 25.00 C ATOM 590 O VAL B 48 21.388 -4.937 0.969 1.00 25.00 O ATOM 591 CB VAL B 48 18.771 -6.663 0.288 1.00 25.00 C ATOM 592 CG1 VAL B 48 17.766 -5.547 0.347 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.509 -6.680 -1.098 1.00 25.00 C ATOM 0 H VAL B 48 18.271 -7.023 2.851 1.00 25.00 H new ATOM 0 HA VAL B 48 20.585 -7.361 1.139 1.00 25.00 H new ATOM 0 HB VAL B 48 18.191 -7.578 0.407 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.085 -5.625 -0.500 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.199 -5.616 1.276 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.284 -4.589 0.309 1.00 25.00 H new ATOM 0 HG21 VAL B 48 18.773 -6.683 -1.902 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.139 -5.795 -1.186 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.128 -7.574 -1.170 1.00 25.00 H new ATOM 603 N CYS B 49 19.946 -4.533 2.637 1.00 25.00 N ATOM 604 CA CYS B 49 20.547 -3.239 3.014 1.00 25.00 C ATOM 605 C CYS B 49 21.898 -3.426 3.713 1.00 25.00 C ATOM 606 O CYS B 49 22.840 -2.720 3.390 1.00 25.00 O ATOM 607 CB CYS B 49 19.635 -2.448 3.982 1.00 25.00 C ATOM 608 SG CYS B 49 18.220 -1.735 3.139 1.00 25.00 S ATOM 0 H CYS B 49 19.114 -4.780 3.172 1.00 25.00 H new ATOM 0 HA CYS B 49 20.677 -2.689 2.082 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.289 -3.109 4.776 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.212 -1.655 4.457 1.00 25.00 H new ATOM 613 N GLY B 50 21.948 -4.278 4.739 1.00 25.00 N ATOM 614 CA GLY B 50 23.162 -4.343 5.567 1.00 25.00 C ATOM 615 C GLY B 50 23.249 -3.182 6.545 1.00 25.00 C ATOM 616 O GLY B 50 24.354 -2.858 6.965 1.00 25.00 O ATOM 0 H GLY B 50 21.196 -4.911 5.013 1.00 25.00 H new ATOM 0 HA2 GLY B 50 23.174 -5.283 6.119 1.00 25.00 H new ATOM 0 HA3 GLY B 50 24.041 -4.340 4.922 1.00 25.00 H new ATOM 620 N GLU B 51 22.106 -2.574 6.917 1.00 25.00 N ATOM 621 CA GLU B 51 22.156 -1.424 7.801 1.00 25.00 C ATOM 622 C GLU B 51 21.245 -1.663 8.960 1.00 25.00 C ATOM 623 O GLU B 51 20.206 -2.283 8.799 1.00 25.00 O ATOM 624 CB GLU B 51 21.741 -0.158 7.062 1.00 25.00 C ATOM 625 CG GLU B 51 22.659 0.256 5.933 1.00 25.00 C ATOM 626 CD GLU B 51 22.236 1.550 5.274 1.00 25.00 C ATOM 627 OE1 GLU B 51 21.443 2.348 5.795 1.00 25.00 O ATOM 628 OE2 GLU B 51 22.846 1.780 4.138 1.00 25.00 O ATOM 0 H GLU B 51 21.171 -2.858 6.623 1.00 25.00 H new ATOM 0 HA GLU B 51 23.178 -1.289 8.155 1.00 25.00 H new ATOM 0 HB2 GLU B 51 20.738 -0.303 6.660 1.00 25.00 H new ATOM 0 HB3 GLU B 51 21.681 0.660 7.780 1.00 25.00 H new ATOM 0 HG2 GLU B 51 23.673 0.365 6.318 1.00 25.00 H new ATOM 0 HG3 GLU B 51 22.685 -0.536 5.184 1.00 25.00 H new ATOM 636 N GLN B 52 21.647 -1.194 10.134 1.00 25.00 N ATOM 637 CA GLN B 52 20.894 -1.461 11.347 1.00 25.00 C ATOM 638 C GLN B 52 19.974 -0.329 11.781 1.00 25.00 C ATOM 639 O GLN B 52 19.501 -0.283 12.934 1.00 25.00 O ATOM 640 CB GLN B 52 21.863 -1.839 12.460 1.00 25.00 C ATOM 641 CG GLN B 52 22.936 -0.806 12.759 1.00 25.00 C ATOM 642 CD GLN B 52 24.246 -1.114 12.074 1.00 25.00 C ATOM 643 OE1 GLN B 52 24.433 -0.828 10.923 1.00 25.00 O ATOM 644 NE2 GLN B 52 25.146 -1.707 12.781 1.00 25.00 N ATOM 0 H GLN B 52 22.486 -0.630 10.269 1.00 25.00 H new ATOM 0 HA GLN B 52 20.222 -2.291 11.126 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.293 -2.022 13.371 1.00 25.00 H new ATOM 0 HB3 GLN B 52 22.349 -2.778 12.194 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.587 0.177 12.442 1.00 25.00 H new ATOM 0 HG3 GLN B 52 23.096 -0.756 13.836 1.00 25.00 H new ATOM 0 HE21 GLN B 52 24.958 -1.937 13.757 1.00 25.00 H new ATOM 0 HE22 GLN B 52 26.046 -1.946 12.365 1.00 25.00 H new ATOM 653 N GLY B 53 19.684 0.607 10.877 1.00 25.00 N ATOM 654 CA GLY B 53 18.849 1.741 11.214 1.00 25.00 C ATOM 655 C GLY B 53 17.350 1.498 10.952 1.00 25.00 C ATOM 656 O GLY B 53 16.616 2.465 10.701 1.00 25.00 O ATOM 0 H GLY B 53 20.017 0.596 9.913 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.991 1.987 12.266 1.00 25.00 H new ATOM 0 HA3 GLY B 53 19.175 2.607 10.638 1.00 25.00 H new ATOM 660 N PHE B 54 16.913 0.261 10.992 1.00 25.00 N ATOM 661 CA PHE B 54 15.486 -0.069 10.791 1.00 25.00 C ATOM 662 C PHE B 54 14.669 0.230 12.088 1.00 25.00 C ATOM 663 O PHE B 54 13.568 0.781 12.015 1.00 25.00 O ATOM 664 CB PHE B 54 15.303 -1.517 10.394 1.00 25.00 C ATOM 665 CG PHE B 54 15.642 -1.792 8.941 1.00 25.00 C ATOM 666 CD1 PHE B 54 16.899 -1.517 8.366 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.632 -2.377 8.104 1.00 25.00 C ATOM 668 CE1 PHE B 54 17.162 -1.798 7.039 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.913 -2.611 6.706 1.00 25.00 C ATOM 670 CZ PHE B 54 16.156 -2.358 6.201 1.00 25.00 C ATOM 0 H PHE B 54 17.511 -0.548 11.161 1.00 25.00 H new ATOM 0 HA PHE B 54 15.116 0.557 9.979 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.930 -2.142 11.030 1.00 25.00 H new ATOM 0 HB3 PHE B 54 14.269 -1.809 10.580 1.00 25.00 H new ATOM 0 HD1 PHE B 54 17.674 -1.077 8.976 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.669 -2.640 8.517 1.00 25.00 H new ATOM 0 HE1 PHE B 54 18.141 -1.591 6.633 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.136 -2.988 6.057 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.376 -2.582 5.168 1.00 25.00 H new ATOM 680 N PHE B 55 15.198 -0.168 13.222 1.00 25.00 N ATOM 681 CA PHE B 55 14.578 0.123 14.533 1.00 25.00 C ATOM 682 C PHE B 55 15.597 0.647 15.529 1.00 25.00 C ATOM 683 O PHE B 55 16.794 0.296 15.421 1.00 25.00 O ATOM 684 CB PHE B 55 13.913 -1.114 15.157 1.00 25.00 C ATOM 685 CG PHE B 55 12.563 -1.377 14.629 1.00 25.00 C ATOM 686 CD1 PHE B 55 12.346 -2.017 13.361 1.00 25.00 C ATOM 687 CD2 PHE B 55 11.429 -0.963 15.377 1.00 25.00 C ATOM 688 CE1 PHE B 55 11.052 -2.241 12.885 1.00 25.00 C ATOM 689 CE2 PHE B 55 10.092 -1.194 14.884 1.00 25.00 C ATOM 690 CZ PHE B 55 9.894 -1.833 13.634 1.00 25.00 C ATOM 0 H PHE B 55 16.066 -0.701 13.282 1.00 25.00 H new ATOM 0 HA PHE B 55 13.820 0.880 14.330 1.00 25.00 H new ATOM 0 HB2 PHE B 55 14.542 -1.986 14.978 1.00 25.00 H new ATOM 0 HB3 PHE B 55 13.854 -0.980 16.237 1.00 25.00 H new ATOM 0 HD1 PHE B 55 13.194 -2.329 12.769 1.00 25.00 H new ATOM 0 HD2 PHE B 55 11.569 -0.469 16.327 1.00 25.00 H new ATOM 0 HE1 PHE B 55 10.918 -2.732 11.932 1.00 25.00 H new ATOM 0 HE2 PHE B 55 9.240 -0.879 15.469 1.00 25.00 H new ATOM 0 HZ PHE B 55 8.899 -2.009 13.254 1.00 25.00 H new ATOM 700 N TYR B 56 15.149 1.449 16.485 1.00 25.00 N ATOM 701 CA TYR B 56 16.052 2.062 17.458 1.00 25.00 C ATOM 702 C TYR B 56 15.405 2.144 18.848 1.00 25.00 C ATOM 703 O TYR B 56 14.282 2.655 19.008 1.00 25.00 O ATOM 704 CB TYR B 56 16.369 3.458 16.952 1.00 25.00 C ATOM 705 CG TYR B 56 17.183 4.308 17.860 1.00 25.00 C ATOM 706 CD1 TYR B 56 18.575 4.069 18.021 1.00 25.00 C ATOM 707 CD2 TYR B 56 16.607 5.409 18.569 1.00 25.00 C ATOM 708 CE1 TYR B 56 19.364 4.859 18.856 1.00 25.00 C ATOM 709 CE2 TYR B 56 17.403 6.231 19.417 1.00 25.00 C ATOM 710 CZ TYR B 56 18.790 5.943 19.508 1.00 25.00 C ATOM 711 OH TYR B 56 19.626 6.666 20.285 1.00 25.00 O ATOM 0 H TYR B 56 14.166 1.692 16.610 1.00 25.00 H new ATOM 0 HA TYR B 56 16.955 1.460 17.560 1.00 25.00 H new ATOM 0 HB2 TYR B 56 16.895 3.368 16.001 1.00 25.00 H new ATOM 0 HB3 TYR B 56 15.430 3.972 16.749 1.00 25.00 H new ATOM 0 HD1 TYR B 56 19.034 3.253 17.482 1.00 25.00 H new ATOM 0 HD2 TYR B 56 15.553 5.620 18.460 1.00 25.00 H new ATOM 0 HE1 TYR B 56 20.410 4.631 18.994 1.00 25.00 H new ATOM 0 HE2 TYR B 56 16.965 7.047 19.973 1.00 25.00 H new ATOM 0 HH TYR B 56 19.132 7.404 20.699 1.00 25.00 H new ATOM 721 N THR B 57 16.129 1.578 19.835 1.00 25.00 N ATOM 722 CA THR B 57 15.745 1.534 21.246 1.00 25.00 C ATOM 723 C THR B 57 17.071 1.564 22.051 1.00 25.00 C ATOM 724 O THR B 57 17.686 0.509 22.250 1.00 25.00 O ATOM 725 CB THR B 57 14.892 0.246 21.560 1.00 25.00 C ATOM 726 OG1 THR B 57 15.074 -0.173 22.931 1.00 25.00 O ATOM 727 CG2 THR B 57 15.246 -0.884 20.646 1.00 25.00 C ATOM 0 H THR B 57 17.026 1.126 19.658 1.00 25.00 H new ATOM 0 HA THR B 57 15.111 2.378 21.517 1.00 25.00 H new ATOM 0 HB THR B 57 13.847 0.510 21.400 1.00 25.00 H new ATOM 0 HG1 THR B 57 14.534 -0.973 23.103 1.00 25.00 H new ATOM 0 HG21 THR B 57 14.638 -1.755 20.892 1.00 25.00 H new ATOM 0 HG22 THR B 57 15.057 -0.590 19.614 1.00 25.00 H new ATOM 0 HG23 THR B 57 16.301 -1.132 20.766 1.00 25.00 H new ATOM 735 N PRO B 58 17.582 2.768 22.407 1.00 25.00 N ATOM 736 CA PRO B 58 18.904 2.795 23.061 1.00 25.00 C ATOM 737 C PRO B 58 18.843 2.221 24.489 1.00 25.00 C ATOM 738 O PRO B 58 17.963 2.594 25.298 1.00 25.00 O ATOM 739 CB PRO B 58 19.250 4.303 23.094 1.00 25.00 C ATOM 740 CG PRO B 58 17.929 4.958 23.126 1.00 25.00 C ATOM 741 CD PRO B 58 17.037 4.118 22.233 1.00 25.00 C ATOM 0 HA PRO B 58 19.643 2.189 22.537 1.00 25.00 H new ATOM 0 HB2 PRO B 58 19.846 4.559 23.970 1.00 25.00 H new ATOM 0 HB3 PRO B 58 19.825 4.602 22.218 1.00 25.00 H new ATOM 0 HG2 PRO B 58 17.537 5.001 24.142 1.00 25.00 H new ATOM 0 HG3 PRO B 58 17.991 5.984 22.764 1.00 25.00 H new ATOM 0 HD2 PRO B 58 15.992 4.175 22.537 1.00 25.00 H new ATOM 0 HD3 PRO B 58 17.085 4.443 21.194 1.00 25.00 H new ATOM 749 N LYS B 59 19.743 1.285 24.760 1.00 25.00 N ATOM 750 CA LYS B 59 19.924 0.689 26.080 1.00 25.00 C ATOM 751 C LYS B 59 21.442 0.410 26.221 1.00 25.00 C ATOM 752 O LYS B 59 21.949 -0.412 25.489 1.00 25.00 O ATOM 753 CB LYS B 59 19.149 -0.632 26.208 1.00 25.00 C ATOM 754 CG LYS B 59 19.117 -1.195 27.643 1.00 25.00 C ATOM 755 CD LYS B 59 18.288 -2.440 27.730 1.00 25.00 C ATOM 756 CE LYS B 59 16.822 -2.121 27.846 1.00 25.00 C ATOM 757 NZ LYS B 59 16.030 -3.288 28.117 1.00 25.00 N ATOM 0 H LYS B 59 20.380 0.911 24.057 1.00 25.00 H new ATOM 0 HA LYS B 59 19.551 1.359 26.855 1.00 25.00 H new ATOM 0 HB2 LYS B 59 18.126 -0.478 25.865 1.00 25.00 H new ATOM 0 HB3 LYS B 59 19.599 -1.372 25.547 1.00 25.00 H new ATOM 0 HG2 LYS B 59 20.133 -1.411 27.972 1.00 25.00 H new ATOM 0 HG3 LYS B 59 18.715 -0.442 28.321 1.00 25.00 H new ATOM 0 HD2 LYS B 59 18.459 -3.054 26.846 1.00 25.00 H new ATOM 0 HD3 LYS B 59 18.603 -3.028 28.592 1.00 25.00 H new ATOM 0 HE2 LYS B 59 16.673 -1.391 28.642 1.00 25.00 H new ATOM 0 HE3 LYS B 59 16.479 -1.659 26.921 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 15.028 -3.019 28.188 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 16.150 -3.976 27.346 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 16.338 -3.716 29.013 1.00 25.00 H new ATOM 771 N THR B 60 22.129 1.145 27.104 1.00 25.00 N ATOM 772 CA THR B 60 23.578 0.916 27.355 1.00 25.00 C ATOM 773 C THR B 60 24.447 1.005 26.074 1.00 25.00 C ATOM 774 O THR B 60 24.518 2.027 25.420 1.00 25.00 O ATOM 775 CB THR B 60 23.792 -0.475 28.147 1.00 25.00 C ATOM 776 OG1 THR B 60 22.625 -0.789 28.886 1.00 25.00 O ATOM 777 CG2 THR B 60 24.975 -0.409 29.179 1.00 25.00 C ATOM 778 OXT THR B 60 25.092 -0.058 25.676 1.00 25.00 O ATOM 0 H THR B 60 21.720 1.898 27.657 1.00 25.00 H new ATOM 0 HA THR B 60 23.930 1.731 27.987 1.00 25.00 H new ATOM 0 HB THR B 60 24.016 -1.226 27.389 1.00 25.00 H new ATOM 0 HG1 THR B 60 22.758 -1.634 29.364 1.00 25.00 H new ATOM 0 HG21 THR B 60 25.073 -1.371 29.682 1.00 25.00 H new ATOM 0 HG22 THR B 60 25.902 -0.177 28.655 1.00 25.00 H new ATOM 0 HG23 THR B 60 24.771 0.367 29.917 1.00 25.00 H new TER 787 THR B 60