USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 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 5 GLN : amide:sc= 0.141 K(o=0.29,f=-0.84) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.146 K(o=0.29,f=-0.63) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.957 (180deg=-0.882!) USER MOD Single : A 8 THR OG1 : rot -86:sc= 0.635 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00951 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.000598 X(o=-0.0006,f=-0.22) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00569 X(o=-0.0057,f=0) USER MOD Single : B 33 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.5) USER MOD Single : B 34 GLN : amide:sc=0.000592 X(o=0.00059,f=0) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.072) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.36) 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+ -168:sc=-0.000795 (180deg=-0.173) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.469 0.726 -2.430 1.00 25.00 N ATOM 2 CA GLY A 1 3.635 0.452 -3.259 1.00 25.00 C ATOM 3 C GLY A 1 4.335 -0.870 -3.006 1.00 25.00 C ATOM 4 O GLY A 1 3.834 -1.958 -3.232 1.00 25.00 O ATOM 0 H1 GLY A 1 2.394 1.750 -2.264 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.612 0.390 -2.914 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.568 0.234 -1.519 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.328 0.484 -4.304 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.356 1.256 -3.114 1.00 25.00 H new ATOM 9 N ILE A 2 5.521 -0.750 -2.389 1.00 25.00 N ATOM 10 CA ILE A 2 6.311 -1.911 -2.050 1.00 25.00 C ATOM 11 C ILE A 2 5.532 -3.041 -1.355 1.00 25.00 C ATOM 12 O ILE A 2 5.701 -4.186 -1.665 1.00 25.00 O ATOM 13 CB ILE A 2 7.527 -1.452 -1.183 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.432 -2.638 -0.841 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.088 -0.668 0.114 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.686 -2.308 -0.008 1.00 25.00 C ATOM 0 H ILE A 2 5.940 0.141 -2.122 1.00 25.00 H new ATOM 0 HA ILE A 2 6.645 -2.352 -2.989 1.00 25.00 H new ATOM 0 HB ILE A 2 8.100 -0.748 -1.787 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.842 -3.376 -0.297 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.751 -3.108 -1.772 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.973 -0.373 0.678 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.527 0.222 -0.171 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.461 -1.310 0.732 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.252 -3.221 0.175 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.308 -1.598 -0.553 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.386 -1.871 0.944 1.00 25.00 H new ATOM 28 N VAL A 3 4.740 -2.694 -0.340 1.00 25.00 N ATOM 29 CA VAL A 3 4.094 -3.719 0.442 1.00 25.00 C ATOM 30 C VAL A 3 3.067 -4.462 -0.371 1.00 25.00 C ATOM 31 O VAL A 3 3.059 -5.711 -0.369 1.00 25.00 O ATOM 32 CB VAL A 3 3.365 -3.137 1.713 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.808 -4.238 2.574 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.356 -2.248 2.538 1.00 25.00 C ATOM 0 H VAL A 3 4.541 -1.735 -0.054 1.00 25.00 H new ATOM 0 HA VAL A 3 4.892 -4.391 0.758 1.00 25.00 H new ATOM 0 HB VAL A 3 2.530 -2.523 1.376 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.311 -3.805 3.442 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.089 -4.822 1.999 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.619 -4.886 2.906 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.844 -1.850 3.414 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.206 -2.851 2.857 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.708 -1.424 1.918 1.00 25.00 H new ATOM 44 N GLU A 4 2.241 -3.755 -1.073 1.00 25.00 N ATOM 45 CA GLU A 4 1.176 -4.408 -1.804 1.00 25.00 C ATOM 46 C GLU A 4 1.783 -5.199 -2.956 1.00 25.00 C ATOM 47 O GLU A 4 1.277 -6.252 -3.251 1.00 25.00 O ATOM 48 CB GLU A 4 0.114 -3.464 -2.326 1.00 25.00 C ATOM 49 CG GLU A 4 0.641 -2.269 -3.169 1.00 25.00 C ATOM 50 CD GLU A 4 -0.457 -1.334 -3.534 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.526 -1.666 -3.875 1.00 25.00 O ATOM 52 OE2 GLU A 4 -0.105 -0.120 -3.410 1.00 25.00 O ATOM 0 H GLU A 4 2.272 -2.739 -1.163 1.00 25.00 H new ATOM 0 HA GLU A 4 0.665 -5.064 -1.100 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.588 -4.034 -2.934 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.446 -3.070 -1.478 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.404 -1.733 -2.605 1.00 25.00 H new ATOM 0 HG3 GLU A 4 1.118 -2.643 -4.075 1.00 25.00 H new ATOM 60 N GLN A 5 2.844 -4.737 -3.593 1.00 25.00 N ATOM 61 CA GLN A 5 3.433 -5.477 -4.710 1.00 25.00 C ATOM 62 C GLN A 5 4.092 -6.751 -4.204 1.00 25.00 C ATOM 63 O GLN A 5 3.902 -7.769 -4.820 1.00 25.00 O ATOM 64 CB GLN A 5 4.417 -4.622 -5.470 1.00 25.00 C ATOM 65 CG GLN A 5 4.914 -5.266 -6.746 1.00 25.00 C ATOM 66 CD GLN A 5 5.793 -4.311 -7.582 1.00 25.00 C ATOM 67 OE1 GLN A 5 6.538 -3.545 -7.035 1.00 25.00 O ATOM 68 NE2 GLN A 5 5.640 -4.317 -8.890 1.00 25.00 N ATOM 0 H GLN A 5 3.316 -3.862 -3.364 1.00 25.00 H new ATOM 0 HA GLN A 5 2.636 -5.751 -5.401 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.947 -3.669 -5.712 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.269 -4.403 -4.827 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.486 -6.160 -6.500 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.061 -5.588 -7.344 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.999 -4.980 -9.325 1.00 25.00 H new ATOM 0 HE22 GLN A 5 6.162 -3.658 -9.468 1.00 25.00 H new ATOM 77 N CYS A 6 4.877 -6.709 -3.136 1.00 25.00 N ATOM 78 CA CYS A 6 5.600 -7.908 -2.693 1.00 25.00 C ATOM 79 C CYS A 6 4.737 -8.894 -1.956 1.00 25.00 C ATOM 80 O CYS A 6 5.091 -10.068 -1.768 1.00 25.00 O ATOM 81 CB CYS A 6 6.811 -7.477 -1.902 1.00 25.00 C ATOM 82 SG CYS A 6 7.898 -6.292 -2.818 1.00 25.00 S ATOM 0 H CYS A 6 5.032 -5.878 -2.565 1.00 25.00 H new ATOM 0 HA CYS A 6 5.927 -8.460 -3.574 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.483 -7.014 -0.972 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.393 -8.358 -1.631 1.00 25.00 H new ATOM 87 N CYS A 7 3.531 -8.443 -1.551 1.00 25.00 N ATOM 88 CA CYS A 7 2.583 -9.352 -0.904 1.00 25.00 C ATOM 89 C CYS A 7 1.756 -10.135 -1.895 1.00 25.00 C ATOM 90 O CYS A 7 1.078 -11.085 -1.538 1.00 25.00 O ATOM 91 CB CYS A 7 1.664 -8.547 0.004 1.00 25.00 C ATOM 92 SG CYS A 7 0.783 -9.610 1.195 1.00 25.00 S ATOM 0 H CYS A 7 3.204 -7.483 -1.659 1.00 25.00 H new ATOM 0 HA CYS A 7 3.161 -10.075 -0.329 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.249 -7.803 0.545 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.940 -8.003 -0.603 1.00 25.00 H new ATOM 97 N THR A 8 1.783 -9.704 -3.154 1.00 25.00 N ATOM 98 CA THR A 8 0.982 -10.304 -4.210 1.00 25.00 C ATOM 99 C THR A 8 1.854 -10.778 -5.388 1.00 25.00 C ATOM 100 O THR A 8 1.346 -11.454 -6.293 1.00 25.00 O ATOM 101 CB THR A 8 -0.026 -9.277 -4.784 1.00 25.00 C ATOM 102 OG1 THR A 8 0.706 -8.203 -5.374 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.950 -8.721 -3.681 1.00 25.00 C ATOM 0 H THR A 8 2.364 -8.926 -3.468 1.00 25.00 H new ATOM 0 HA THR A 8 0.467 -11.152 -3.758 1.00 25.00 H new ATOM 0 HB THR A 8 -0.650 -9.774 -5.527 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.925 -7.540 -4.686 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.645 -8.003 -4.116 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.510 -9.540 -3.228 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.349 -8.227 -2.918 1.00 25.00 H new ATOM 111 N SER A 9 3.154 -10.476 -5.367 1.00 25.00 N ATOM 112 CA SER A 9 4.085 -10.954 -6.373 1.00 25.00 C ATOM 113 C SER A 9 5.420 -11.285 -5.720 1.00 25.00 C ATOM 114 O SER A 9 5.680 -10.927 -4.559 1.00 25.00 O ATOM 115 CB SER A 9 4.266 -9.909 -7.486 1.00 25.00 C ATOM 116 OG SER A 9 4.943 -10.458 -8.600 1.00 25.00 O ATOM 0 H SER A 9 3.584 -9.893 -4.649 1.00 25.00 H new ATOM 0 HA SER A 9 3.681 -11.859 -6.828 1.00 25.00 H new ATOM 0 HB2 SER A 9 3.291 -9.534 -7.798 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.826 -9.057 -7.101 1.00 25.00 H new ATOM 0 HG SER A 9 5.043 -9.772 -9.293 1.00 25.00 H new ATOM 122 N ILE A 10 6.285 -11.934 -6.469 1.00 25.00 N ATOM 123 CA ILE A 10 7.626 -12.313 -5.982 1.00 25.00 C ATOM 124 C ILE A 10 8.635 -11.184 -6.303 1.00 25.00 C ATOM 125 O ILE A 10 9.213 -11.086 -7.382 1.00 25.00 O ATOM 126 CB ILE A 10 8.150 -13.695 -6.595 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.155 -14.836 -6.302 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.534 -14.052 -6.033 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.543 -16.221 -6.893 1.00 25.00 C ATOM 0 H ILE A 10 6.096 -12.220 -7.430 1.00 25.00 H new ATOM 0 HA ILE A 10 7.543 -12.456 -4.905 1.00 25.00 H new ATOM 0 HB ILE A 10 8.232 -13.570 -7.675 1.00 25.00 H new ATOM 0 HG12 ILE A 10 7.050 -14.936 -5.222 1.00 25.00 H new ATOM 0 HG13 ILE A 10 6.177 -14.553 -6.692 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.870 -14.995 -6.464 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.244 -13.264 -6.286 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.472 -14.150 -4.949 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.780 -16.955 -6.632 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.618 -16.146 -7.978 1.00 25.00 H new ATOM 0 HD13 ILE A 10 8.503 -16.535 -6.484 1.00 25.00 H new ATOM 141 N CYS A 11 8.817 -10.287 -5.339 1.00 25.00 N ATOM 142 CA CYS A 11 9.796 -9.202 -5.502 1.00 25.00 C ATOM 143 C CYS A 11 11.197 -9.826 -5.373 1.00 25.00 C ATOM 144 O CYS A 11 11.480 -10.594 -4.445 1.00 25.00 O ATOM 145 CB CYS A 11 9.609 -8.141 -4.443 1.00 25.00 C ATOM 146 SG CYS A 11 8.112 -7.132 -4.652 1.00 25.00 S ATOM 0 H CYS A 11 8.314 -10.282 -4.452 1.00 25.00 H new ATOM 0 HA CYS A 11 9.665 -8.724 -6.473 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.575 -8.622 -3.465 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.479 -7.484 -4.445 1.00 25.00 H new ATOM 151 N SER A 12 12.052 -9.528 -6.352 1.00 25.00 N ATOM 152 CA SER A 12 13.396 -10.085 -6.383 1.00 25.00 C ATOM 153 C SER A 12 14.354 -9.110 -5.695 1.00 25.00 C ATOM 154 O SER A 12 13.993 -7.954 -5.496 1.00 25.00 O ATOM 155 CB SER A 12 13.863 -10.302 -7.828 1.00 25.00 C ATOM 156 OG SER A 12 14.063 -9.061 -8.488 1.00 25.00 O ATOM 0 H SER A 12 11.834 -8.905 -7.130 1.00 25.00 H new ATOM 0 HA SER A 12 13.388 -11.046 -5.868 1.00 25.00 H new ATOM 0 HB2 SER A 12 14.791 -10.874 -7.832 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.122 -10.891 -8.369 1.00 25.00 H new ATOM 0 HG SER A 12 14.362 -9.224 -9.407 1.00 25.00 H new ATOM 162 N LEU A 13 15.595 -9.526 -5.401 1.00 25.00 N ATOM 163 CA LEU A 13 16.606 -8.621 -4.839 1.00 25.00 C ATOM 164 C LEU A 13 16.894 -7.520 -5.833 1.00 25.00 C ATOM 165 O LEU A 13 17.149 -6.366 -5.451 1.00 25.00 O ATOM 166 CB LEU A 13 17.852 -9.434 -4.506 1.00 25.00 C ATOM 167 CG LEU A 13 19.089 -8.673 -3.978 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.901 -9.621 -3.066 1.00 25.00 C ATOM 169 CD2 LEU A 13 20.041 -8.207 -5.061 1.00 25.00 C ATOM 0 H LEU A 13 15.921 -10.482 -5.543 1.00 25.00 H new ATOM 0 HA LEU A 13 16.250 -8.152 -3.922 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.576 -10.181 -3.762 1.00 25.00 H new ATOM 0 HB3 LEU A 13 18.150 -9.974 -5.405 1.00 25.00 H new ATOM 0 HG LEU A 13 18.700 -7.794 -3.464 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.778 -9.097 -2.686 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.280 -9.943 -2.230 1.00 25.00 H new ATOM 0 HD13 LEU A 13 20.219 -10.493 -3.638 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.881 -7.682 -4.606 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.410 -9.069 -5.617 1.00 25.00 H new ATOM 0 HD23 LEU A 13 19.518 -7.534 -5.740 1.00 25.00 H new ATOM 181 N TYR A 14 16.806 -7.873 -7.092 1.00 25.00 N ATOM 182 CA TYR A 14 17.082 -6.919 -8.171 1.00 25.00 C ATOM 183 C TYR A 14 16.194 -5.660 -8.042 1.00 25.00 C ATOM 184 O TYR A 14 16.673 -4.540 -8.280 1.00 25.00 O ATOM 185 CB TYR A 14 16.847 -7.625 -9.488 1.00 25.00 C ATOM 186 CG TYR A 14 17.662 -7.051 -10.614 1.00 25.00 C ATOM 187 CD1 TYR A 14 17.212 -5.933 -11.332 1.00 25.00 C ATOM 188 CD2 TYR A 14 18.904 -7.626 -10.967 1.00 25.00 C ATOM 189 CE1 TYR A 14 18.002 -5.344 -12.390 1.00 25.00 C ATOM 190 CE2 TYR A 14 19.697 -7.067 -12.019 1.00 25.00 C ATOM 191 CZ TYR A 14 19.227 -5.921 -12.707 1.00 25.00 C ATOM 192 OH TYR A 14 20.010 -5.368 -13.720 1.00 25.00 O ATOM 0 H TYR A 14 16.547 -8.808 -7.408 1.00 25.00 H new ATOM 0 HA TYR A 14 18.116 -6.578 -8.113 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.087 -8.682 -9.375 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.789 -7.563 -9.744 1.00 25.00 H new ATOM 0 HD1 TYR A 14 16.252 -5.502 -11.089 1.00 25.00 H new ATOM 0 HD2 TYR A 14 19.259 -8.497 -10.437 1.00 25.00 H new ATOM 0 HE1 TYR A 14 17.648 -4.474 -12.923 1.00 25.00 H new ATOM 0 HE2 TYR A 14 20.643 -7.514 -12.286 1.00 25.00 H new ATOM 0 HH TYR A 14 20.835 -5.888 -13.816 1.00 25.00 H new ATOM 202 N GLN A 15 14.928 -5.792 -7.669 1.00 25.00 N ATOM 203 CA GLN A 15 14.069 -4.624 -7.475 1.00 25.00 C ATOM 204 C GLN A 15 14.132 -4.131 -6.051 1.00 25.00 C ATOM 205 O GLN A 15 14.069 -2.939 -5.789 1.00 25.00 O ATOM 206 CB GLN A 15 12.625 -5.020 -7.831 1.00 25.00 C ATOM 207 CG GLN A 15 11.607 -3.811 -7.768 1.00 25.00 C ATOM 208 CD GLN A 15 10.185 -4.190 -8.062 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.820 -5.338 -8.144 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.357 -3.199 -8.122 1.00 25.00 N ATOM 0 H GLN A 15 14.473 -6.688 -7.495 1.00 25.00 H new ATOM 0 HA GLN A 15 14.412 -3.815 -8.119 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.610 -5.446 -8.834 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.292 -5.802 -7.148 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.654 -3.362 -6.776 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.922 -3.047 -8.479 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.701 -2.242 -8.049 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.359 -3.374 -8.242 1.00 25.00 H new ATOM 219 N LEU A 16 14.245 -5.062 -5.121 1.00 25.00 N ATOM 220 CA LEU A 16 14.165 -4.712 -3.713 1.00 25.00 C ATOM 221 C LEU A 16 15.292 -3.754 -3.286 1.00 25.00 C ATOM 222 O LEU A 16 15.101 -2.921 -2.433 1.00 25.00 O ATOM 223 CB LEU A 16 14.184 -5.973 -2.834 1.00 25.00 C ATOM 224 CG LEU A 16 13.546 -5.693 -1.463 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.002 -5.789 -1.591 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.055 -6.697 -0.424 1.00 25.00 C ATOM 0 H LEU A 16 14.391 -6.054 -5.310 1.00 25.00 H new ATOM 0 HA LEU A 16 13.218 -4.192 -3.571 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.645 -6.778 -3.333 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.211 -6.313 -2.700 1.00 25.00 H new ATOM 0 HG LEU A 16 13.822 -4.691 -1.134 1.00 25.00 H new ATOM 0 HD11 LEU A 16 11.544 -5.591 -0.622 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.651 -5.054 -2.315 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.726 -6.789 -1.926 1.00 25.00 H new ATOM 0 HD21 LEU A 16 13.595 -6.486 0.541 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.795 -7.708 -0.737 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.138 -6.612 -0.336 1.00 25.00 H new ATOM 238 N GLU A 17 16.458 -3.852 -3.956 1.00 25.00 N ATOM 239 CA GLU A 17 17.555 -2.906 -3.739 1.00 25.00 C ATOM 240 C GLU A 17 17.179 -1.449 -3.977 1.00 25.00 C ATOM 241 O GLU A 17 17.766 -0.577 -3.379 1.00 25.00 O ATOM 242 CB GLU A 17 18.739 -3.176 -4.684 1.00 25.00 C ATOM 243 CG GLU A 17 19.626 -4.315 -4.272 1.00 25.00 C ATOM 244 CD GLU A 17 21.001 -4.232 -4.893 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.516 -5.117 -5.520 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.591 -3.080 -4.721 1.00 25.00 O ATOM 0 H GLU A 17 16.657 -4.575 -4.647 1.00 25.00 H new ATOM 0 HA GLU A 17 17.813 -3.060 -2.691 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.350 -3.379 -5.682 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.343 -2.271 -4.755 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.721 -4.323 -3.186 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.158 -5.257 -4.558 1.00 25.00 H new ATOM 254 N ASN A 18 16.183 -1.156 -4.790 1.00 25.00 N ATOM 255 CA ASN A 18 15.803 0.231 -5.078 1.00 25.00 C ATOM 256 C ASN A 18 15.234 0.887 -3.829 1.00 25.00 C ATOM 257 O ASN A 18 15.273 2.103 -3.720 1.00 25.00 O ATOM 258 CB ASN A 18 14.800 0.295 -6.238 1.00 25.00 C ATOM 259 CG ASN A 18 14.615 1.699 -6.792 1.00 25.00 C ATOM 260 OD1 ASN A 18 15.558 2.443 -6.985 1.00 25.00 O ATOM 261 ND2 ASN A 18 13.380 2.059 -6.958 1.00 25.00 N ATOM 0 H ASN A 18 15.615 -1.855 -5.268 1.00 25.00 H new ATOM 0 HA ASN A 18 16.695 0.780 -5.382 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.138 -0.363 -7.039 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.836 -0.085 -5.898 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.162 3.007 -7.265 1.00 25.00 H new ATOM 0 HD22 ASN A 18 12.627 1.394 -6.782 1.00 25.00 H new ATOM 268 N TYR A 19 14.740 0.084 -2.897 1.00 25.00 N ATOM 269 CA TYR A 19 14.217 0.592 -1.600 1.00 25.00 C ATOM 270 C TYR A 19 15.382 0.810 -0.618 1.00 25.00 C ATOM 271 O TYR A 19 15.192 1.284 0.479 1.00 25.00 O ATOM 272 CB TYR A 19 13.164 -0.372 -1.077 1.00 25.00 C ATOM 273 CG TYR A 19 12.021 -0.607 -2.092 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.201 0.429 -2.482 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.829 -1.875 -2.631 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.173 0.211 -3.445 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.815 -2.107 -3.622 1.00 25.00 C ATOM 278 CZ TYR A 19 9.993 -1.046 -4.042 1.00 25.00 C ATOM 279 OH TYR A 19 8.988 -1.228 -5.016 1.00 25.00 O ATOM 0 H TYR A 19 14.683 -0.929 -2.999 1.00 25.00 H new ATOM 0 HA TYR A 19 13.734 1.561 -1.728 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.635 -1.325 -0.838 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.747 0.019 -0.149 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.338 1.412 -2.056 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.450 -2.695 -2.301 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.521 1.027 -3.720 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.684 -3.093 -4.043 1.00 25.00 H new ATOM 0 HH TYR A 19 8.999 -2.157 -5.328 1.00 25.00 H new ATOM 289 N CYS A 20 16.577 0.481 -1.053 1.00 25.00 N ATOM 290 CA CYS A 20 17.770 0.626 -0.240 1.00 25.00 C ATOM 291 C CYS A 20 18.887 1.160 -1.200 1.00 25.00 C ATOM 292 O CYS A 20 20.016 0.651 -1.162 1.00 25.00 O ATOM 293 CB CYS A 20 18.173 -0.711 0.354 1.00 25.00 C ATOM 294 SG CYS A 20 19.110 -0.502 1.925 1.00 25.00 S ATOM 0 H CYS A 20 16.753 0.103 -1.984 1.00 25.00 H new ATOM 0 HA CYS A 20 17.603 1.308 0.593 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.282 -1.311 0.539 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.783 -1.259 -0.364 1.00 25.00 H new ATOM 299 N ASN A 21 18.514 2.146 -2.042 1.00 25.00 N ATOM 300 CA ASN A 21 19.453 2.738 -3.040 1.00 25.00 C ATOM 301 C ASN A 21 19.775 4.227 -2.784 1.00 25.00 C ATOM 302 O ASN A 21 20.880 4.694 -2.651 1.00 25.00 O ATOM 303 CB ASN A 21 18.897 2.505 -4.469 1.00 25.00 C ATOM 304 CG ASN A 21 19.793 2.981 -5.577 1.00 25.00 C ATOM 305 OD1 ASN A 21 20.971 2.782 -5.628 1.00 25.00 O ATOM 306 ND2 ASN A 21 19.184 3.603 -6.564 1.00 25.00 N ATOM 307 OXT ASN A 21 18.769 5.057 -2.789 1.00 25.00 O ATOM 0 H ASN A 21 17.578 2.552 -2.058 1.00 25.00 H new ATOM 0 HA ASN A 21 20.409 2.226 -2.933 1.00 25.00 H new ATOM 0 HB2 ASN A 21 18.712 1.439 -4.603 1.00 25.00 H new ATOM 0 HB3 ASN A 21 17.935 3.009 -4.556 1.00 25.00 H new ATOM 0 HD21 ASN A 21 19.717 3.917 -7.375 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.179 3.771 -6.518 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 21.481 -15.285 -3.549 1.00 25.00 N ATOM 317 CA PHE B 31 20.185 -14.849 -3.016 1.00 25.00 C ATOM 318 C PHE B 31 19.036 -15.785 -3.451 1.00 25.00 C ATOM 319 O PHE B 31 19.043 -16.453 -4.431 1.00 25.00 O ATOM 320 CB PHE B 31 19.880 -13.395 -3.385 1.00 25.00 C ATOM 321 CG PHE B 31 18.617 -12.758 -2.800 1.00 25.00 C ATOM 322 CD1 PHE B 31 18.647 -12.260 -1.524 1.00 25.00 C ATOM 323 CD2 PHE B 31 17.428 -12.742 -3.511 1.00 25.00 C ATOM 324 CE1 PHE B 31 17.483 -11.740 -0.942 1.00 25.00 C ATOM 325 CE2 PHE B 31 16.256 -12.249 -2.924 1.00 25.00 C ATOM 326 CZ PHE B 31 16.298 -11.749 -1.634 1.00 25.00 C ATOM 0 HA PHE B 31 20.259 -14.906 -1.930 1.00 25.00 H new ATOM 0 HB2 PHE B 31 20.732 -12.787 -3.082 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.814 -13.332 -4.471 1.00 25.00 H new ATOM 0 HD1 PHE B 31 19.571 -12.268 -0.965 1.00 25.00 H new ATOM 0 HD2 PHE B 31 17.405 -13.112 -4.525 1.00 25.00 H new ATOM 0 HE1 PHE B 31 17.519 -11.330 0.056 1.00 25.00 H new ATOM 0 HE2 PHE B 31 15.326 -12.259 -3.474 1.00 25.00 H new ATOM 0 HZ PHE B 31 15.399 -11.367 -1.173 1.00 25.00 H new ATOM 337 N VAL B 32 18.000 -15.833 -2.648 1.00 25.00 N ATOM 338 CA VAL B 32 16.825 -16.624 -2.976 1.00 25.00 C ATOM 339 C VAL B 32 15.624 -15.718 -3.127 1.00 25.00 C ATOM 340 O VAL B 32 15.231 -15.085 -2.156 1.00 25.00 O ATOM 341 CB VAL B 32 16.565 -17.686 -1.896 1.00 25.00 C ATOM 342 CG1 VAL B 32 15.431 -18.609 -2.331 1.00 25.00 C ATOM 343 CG2 VAL B 32 17.859 -18.509 -1.639 1.00 25.00 C ATOM 0 H VAL B 32 17.941 -15.335 -1.760 1.00 25.00 H new ATOM 0 HA VAL B 32 17.002 -17.139 -3.920 1.00 25.00 H new ATOM 0 HB VAL B 32 16.275 -17.188 -0.971 1.00 25.00 H new ATOM 0 HG11 VAL B 32 15.255 -19.358 -1.559 1.00 25.00 H new ATOM 0 HG12 VAL B 32 14.524 -18.024 -2.483 1.00 25.00 H new ATOM 0 HG13 VAL B 32 15.703 -19.105 -3.262 1.00 25.00 H new ATOM 0 HG21 VAL B 32 17.667 -19.260 -0.872 1.00 25.00 H new ATOM 0 HG22 VAL B 32 18.165 -19.003 -2.561 1.00 25.00 H new ATOM 0 HG23 VAL B 32 18.653 -17.843 -1.303 1.00 25.00 H new ATOM 353 N ASN B 33 15.057 -15.594 -4.307 1.00 25.00 N ATOM 354 CA ASN B 33 13.865 -14.736 -4.513 1.00 25.00 C ATOM 355 C ASN B 33 12.642 -15.503 -3.955 1.00 25.00 C ATOM 356 O ASN B 33 12.504 -16.711 -4.125 1.00 25.00 O ATOM 357 CB ASN B 33 13.624 -14.432 -6.012 1.00 25.00 C ATOM 358 CG ASN B 33 14.739 -13.622 -6.619 1.00 25.00 C ATOM 359 OD1 ASN B 33 15.181 -12.621 -6.049 1.00 25.00 O ATOM 360 ND2 ASN B 33 15.173 -14.021 -7.763 1.00 25.00 N ATOM 0 H ASN B 33 15.386 -16.067 -5.149 1.00 25.00 H new ATOM 0 HA ASN B 33 14.019 -13.784 -4.005 1.00 25.00 H new ATOM 0 HB2 ASN B 33 13.521 -15.370 -6.558 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.684 -13.892 -6.124 1.00 25.00 H new ATOM 0 HD21 ASN B 33 15.913 -13.503 -8.237 1.00 25.00 H new ATOM 0 HD22 ASN B 33 14.777 -14.855 -8.196 1.00 25.00 H new ATOM 367 N GLN B 34 11.783 -14.778 -3.249 1.00 25.00 N ATOM 368 CA GLN B 34 10.674 -15.401 -2.490 1.00 25.00 C ATOM 369 C GLN B 34 9.554 -14.404 -2.188 1.00 25.00 C ATOM 370 O GLN B 34 9.689 -13.213 -2.409 1.00 25.00 O ATOM 371 CB GLN B 34 11.223 -16.030 -1.208 1.00 25.00 C ATOM 372 CG GLN B 34 11.898 -15.011 -0.280 1.00 25.00 C ATOM 373 CD GLN B 34 12.706 -15.679 0.824 1.00 25.00 C ATOM 374 OE1 GLN B 34 12.161 -16.354 1.670 1.00 25.00 O ATOM 375 NE2 GLN B 34 14.012 -15.513 0.811 1.00 25.00 N ATOM 0 H GLN B 34 11.821 -13.761 -3.178 1.00 25.00 H new ATOM 0 HA GLN B 34 10.231 -16.182 -3.108 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.409 -16.518 -0.672 1.00 25.00 H new ATOM 0 HB3 GLN B 34 11.942 -16.806 -1.470 1.00 25.00 H new ATOM 0 HG2 GLN B 34 12.553 -14.367 -0.867 1.00 25.00 H new ATOM 0 HG3 GLN B 34 11.137 -14.371 0.167 1.00 25.00 H new ATOM 0 HE21 GLN B 34 14.446 -14.940 0.088 1.00 25.00 H new ATOM 0 HE22 GLN B 34 14.590 -15.958 1.524 1.00 25.00 H new ATOM 384 N HIS B 35 8.414 -14.900 -1.712 1.00 25.00 N ATOM 385 CA HIS B 35 7.277 -14.022 -1.422 1.00 25.00 C ATOM 386 C HIS B 35 7.642 -13.241 -0.184 1.00 25.00 C ATOM 387 O HIS B 35 8.360 -13.756 0.705 1.00 25.00 O ATOM 388 CB HIS B 35 5.980 -14.814 -1.203 1.00 25.00 C ATOM 389 CG HIS B 35 5.514 -15.522 -2.420 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.645 -14.959 -3.342 1.00 25.00 N ATOM 391 CD2 HIS B 35 5.768 -16.767 -2.882 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.399 -15.860 -4.292 1.00 25.00 C ATOM 393 NE2 HIS B 35 5.073 -16.945 -4.040 1.00 25.00 N ATOM 0 H HIS B 35 8.251 -15.889 -1.521 1.00 25.00 H new ATOM 0 HA HIS B 35 7.086 -13.362 -2.268 1.00 25.00 H new ATOM 0 HB2 HIS B 35 6.136 -15.540 -0.405 1.00 25.00 H new ATOM 0 HB3 HIS B 35 5.199 -14.133 -0.865 1.00 25.00 H new ATOM 0 HD2 HIS B 35 6.412 -17.496 -2.413 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.744 -15.713 -5.138 1.00 25.00 H new ATOM 0 HE2 HIS B 35 5.080 -17.788 -4.614 1.00 25.00 H new ATOM 402 N LEU B 36 7.209 -11.995 -0.130 1.00 25.00 N ATOM 403 CA LEU B 36 7.588 -11.123 0.965 1.00 25.00 C ATOM 404 C LEU B 36 6.425 -10.252 1.418 1.00 25.00 C ATOM 405 O LEU B 36 6.258 -9.150 0.901 1.00 25.00 O ATOM 406 CB LEU B 36 8.756 -10.210 0.487 1.00 25.00 C ATOM 407 CG LEU B 36 10.088 -10.898 0.119 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.032 -9.849 -0.466 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.735 -11.615 1.282 1.00 25.00 C ATOM 0 H LEU B 36 6.599 -11.567 -0.826 1.00 25.00 H new ATOM 0 HA LEU B 36 7.893 -11.739 1.811 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.413 -9.652 -0.384 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.958 -9.482 1.273 1.00 25.00 H new ATOM 0 HG LEU B 36 9.872 -11.673 -0.617 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.979 -10.319 -0.732 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.582 -9.411 -1.357 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.210 -9.067 0.272 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.666 -12.076 0.953 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.945 -10.901 2.078 1.00 25.00 H new ATOM 0 HD23 LEU B 36 10.061 -12.386 1.655 1.00 25.00 H new ATOM 421 N CYS B 37 5.705 -10.707 2.442 1.00 25.00 N ATOM 422 CA CYS B 37 4.655 -9.913 3.067 1.00 25.00 C ATOM 423 C CYS B 37 4.917 -9.981 4.559 1.00 25.00 C ATOM 424 O CYS B 37 5.656 -10.856 5.015 1.00 25.00 O ATOM 425 CB CYS B 37 3.245 -10.490 2.734 1.00 25.00 C ATOM 426 SG CYS B 37 1.859 -9.314 2.899 1.00 25.00 S ATOM 0 H CYS B 37 5.833 -11.630 2.857 1.00 25.00 H new ATOM 0 HA CYS B 37 4.667 -8.886 2.702 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.258 -10.869 1.712 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.056 -11.342 3.387 1.00 25.00 H new ATOM 431 N GLY B 38 4.343 -9.045 5.290 1.00 25.00 N ATOM 432 CA GLY B 38 4.529 -8.990 6.730 1.00 25.00 C ATOM 433 C GLY B 38 5.952 -8.685 7.132 1.00 25.00 C ATOM 434 O GLY B 38 6.694 -7.991 6.410 1.00 25.00 O ATOM 0 H GLY B 38 3.744 -8.311 4.912 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.869 -8.229 7.147 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.231 -9.944 7.166 1.00 25.00 H new ATOM 438 N SER B 39 6.331 -9.314 8.226 1.00 25.00 N ATOM 439 CA SER B 39 7.667 -9.188 8.761 1.00 25.00 C ATOM 440 C SER B 39 8.717 -9.786 7.806 1.00 25.00 C ATOM 441 O SER B 39 9.870 -9.317 7.755 1.00 25.00 O ATOM 442 CB SER B 39 7.758 -9.911 10.131 1.00 25.00 C ATOM 443 OG SER B 39 6.697 -9.494 10.990 1.00 25.00 O ATOM 0 H SER B 39 5.720 -9.926 8.767 1.00 25.00 H new ATOM 0 HA SER B 39 7.875 -8.125 8.882 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.711 -10.990 9.983 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.718 -9.695 10.599 1.00 25.00 H new ATOM 0 HG SER B 39 6.769 -9.961 11.849 1.00 25.00 H new ATOM 449 N HIS B 40 8.320 -10.758 6.977 1.00 25.00 N ATOM 450 CA HIS B 40 9.263 -11.315 6.017 1.00 25.00 C ATOM 451 C HIS B 40 9.836 -10.236 5.125 1.00 25.00 C ATOM 452 O HIS B 40 11.026 -10.283 4.776 1.00 25.00 O ATOM 453 CB HIS B 40 8.642 -12.403 5.147 1.00 25.00 C ATOM 454 CG HIS B 40 9.009 -13.776 5.563 1.00 25.00 C ATOM 455 ND1 HIS B 40 8.854 -14.868 4.699 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.500 -14.292 6.699 1.00 25.00 C ATOM 457 CE1 HIS B 40 9.248 -15.974 5.343 1.00 25.00 C ATOM 458 NE2 HIS B 40 9.620 -15.636 6.551 1.00 25.00 N ATOM 0 H HIS B 40 7.383 -11.161 6.954 1.00 25.00 H new ATOM 0 HA HIS B 40 10.060 -11.766 6.608 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.557 -12.302 5.173 1.00 25.00 H new ATOM 0 HB3 HIS B 40 8.952 -12.251 4.113 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.757 -13.731 7.585 1.00 25.00 H new ATOM 0 HE1 HIS B 40 9.257 -16.974 4.935 1.00 25.00 H new ATOM 0 HE2 HIS B 40 9.949 -16.281 7.269 1.00 25.00 H new ATOM 467 N LEU B 41 8.993 -9.269 4.740 1.00 25.00 N ATOM 468 CA LEU B 41 9.433 -8.192 3.864 1.00 25.00 C ATOM 469 C LEU B 41 10.511 -7.337 4.533 1.00 25.00 C ATOM 470 O LEU B 41 11.470 -6.924 3.840 1.00 25.00 O ATOM 471 CB LEU B 41 8.208 -7.286 3.524 1.00 25.00 C ATOM 472 CG LEU B 41 8.385 -6.112 2.567 1.00 25.00 C ATOM 473 CD1 LEU B 41 8.932 -6.534 1.184 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.045 -5.416 2.459 1.00 25.00 C ATOM 0 H LEU B 41 8.014 -9.216 5.021 1.00 25.00 H new ATOM 0 HA LEU B 41 9.854 -8.632 2.960 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.431 -7.929 3.112 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.826 -6.887 4.464 1.00 25.00 H new ATOM 0 HG LEU B 41 9.140 -5.432 2.962 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.035 -5.654 0.550 1.00 25.00 H new ATOM 0 HD12 LEU B 41 9.905 -7.009 1.307 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.241 -7.237 0.719 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.130 -4.567 1.781 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.302 -6.115 2.075 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.737 -5.064 3.444 1.00 25.00 H new ATOM 486 N VAL B 42 10.340 -7.023 5.816 1.00 25.00 N ATOM 487 CA VAL B 42 11.318 -6.155 6.520 1.00 25.00 C ATOM 488 C VAL B 42 12.608 -6.919 6.753 1.00 25.00 C ATOM 489 O VAL B 42 13.705 -6.402 6.665 1.00 25.00 O ATOM 490 CB VAL B 42 10.746 -5.612 7.892 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.648 -4.502 8.443 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.293 -5.038 7.746 1.00 25.00 C ATOM 0 H VAL B 42 9.558 -7.341 6.389 1.00 25.00 H new ATOM 0 HA VAL B 42 11.515 -5.291 5.886 1.00 25.00 H new ATOM 0 HB VAL B 42 10.719 -6.461 8.575 1.00 25.00 H new ATOM 0 HG11 VAL B 42 11.242 -4.138 9.387 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.651 -4.896 8.607 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.693 -3.681 7.727 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.945 -4.678 8.714 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.297 -4.214 7.033 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.626 -5.823 7.390 1.00 25.00 H new ATOM 502 N GLU B 43 12.471 -8.235 7.042 1.00 25.00 N ATOM 503 CA GLU B 43 13.618 -9.084 7.286 1.00 25.00 C ATOM 504 C GLU B 43 14.467 -9.136 5.995 1.00 25.00 C ATOM 505 O GLU B 43 15.683 -8.928 6.048 1.00 25.00 O ATOM 506 CB GLU B 43 13.229 -10.523 7.673 1.00 25.00 C ATOM 507 CG GLU B 43 14.403 -11.394 7.953 1.00 25.00 C ATOM 508 CD GLU B 43 14.069 -12.883 7.936 1.00 25.00 C ATOM 509 OE1 GLU B 43 13.267 -13.400 8.674 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.701 -13.537 6.999 1.00 25.00 O ATOM 0 H GLU B 43 11.572 -8.713 7.107 1.00 25.00 H new ATOM 0 HA GLU B 43 14.170 -8.659 8.124 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.588 -10.494 8.554 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.643 -10.963 6.866 1.00 25.00 H new ATOM 0 HG2 GLU B 43 15.179 -11.195 7.214 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.816 -11.133 8.927 1.00 25.00 H new ATOM 518 N ALA B 44 13.842 -9.462 4.863 1.00 25.00 N ATOM 519 CA ALA B 44 14.575 -9.551 3.602 1.00 25.00 C ATOM 520 C ALA B 44 15.233 -8.187 3.278 1.00 25.00 C ATOM 521 O ALA B 44 16.355 -8.145 2.823 1.00 25.00 O ATOM 522 CB ALA B 44 13.655 -9.944 2.469 1.00 25.00 C ATOM 0 H ALA B 44 12.845 -9.666 4.794 1.00 25.00 H new ATOM 0 HA ALA B 44 15.344 -10.316 3.710 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.225 -10.003 1.542 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.208 -10.915 2.683 1.00 25.00 H new ATOM 0 HB3 ALA B 44 12.868 -9.198 2.364 1.00 25.00 H new ATOM 528 N LEU B 45 14.524 -7.097 3.525 1.00 25.00 N ATOM 529 CA LEU B 45 15.044 -5.763 3.224 1.00 25.00 C ATOM 530 C LEU B 45 16.280 -5.484 4.085 1.00 25.00 C ATOM 531 O LEU B 45 17.243 -4.927 3.584 1.00 25.00 O ATOM 532 CB LEU B 45 13.985 -4.719 3.514 1.00 25.00 C ATOM 533 CG LEU B 45 14.239 -3.304 2.962 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.499 -3.297 1.476 1.00 25.00 C ATOM 535 CD2 LEU B 45 13.098 -2.327 3.285 1.00 25.00 C ATOM 0 H LEU B 45 13.589 -7.104 3.932 1.00 25.00 H new ATOM 0 HA LEU B 45 15.316 -5.718 2.169 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.037 -5.076 3.112 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.866 -4.646 4.595 1.00 25.00 H new ATOM 0 HG LEU B 45 15.140 -2.963 3.472 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.671 -2.274 1.142 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.378 -3.903 1.258 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.636 -3.709 0.954 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.331 -1.346 2.872 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.170 -2.694 2.847 1.00 25.00 H new ATOM 0 HD23 LEU B 45 12.982 -2.247 4.366 1.00 25.00 H new ATOM 547 N TYR B 46 16.249 -5.887 5.355 1.00 25.00 N ATOM 548 CA TYR B 46 17.383 -5.677 6.266 1.00 25.00 C ATOM 549 C TYR B 46 18.570 -6.429 5.717 1.00 25.00 C ATOM 550 O TYR B 46 19.673 -5.904 5.726 1.00 25.00 O ATOM 551 CB TYR B 46 17.067 -6.195 7.691 1.00 25.00 C ATOM 552 CG TYR B 46 18.216 -6.195 8.666 1.00 25.00 C ATOM 553 CD1 TYR B 46 19.072 -7.293 8.770 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.432 -5.100 9.527 1.00 25.00 C ATOM 555 CE1 TYR B 46 20.134 -7.321 9.680 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.546 -5.106 10.475 1.00 25.00 C ATOM 557 CZ TYR B 46 20.374 -6.244 10.511 1.00 25.00 C ATOM 558 OH TYR B 46 21.416 -6.382 11.403 1.00 25.00 O ATOM 0 H TYR B 46 15.452 -6.361 5.780 1.00 25.00 H new ATOM 0 HA TYR B 46 17.590 -4.609 6.336 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.264 -5.587 8.107 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.686 -7.213 7.609 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.909 -8.146 8.129 1.00 25.00 H new ATOM 0 HD2 TYR B 46 17.769 -4.249 9.486 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.771 -8.191 9.733 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.728 -4.264 11.127 1.00 25.00 H new ATOM 0 HH TYR B 46 21.498 -5.566 11.939 1.00 25.00 H new ATOM 568 N LEU B 47 18.357 -7.670 5.247 1.00 25.00 N ATOM 569 CA LEU B 47 19.449 -8.464 4.729 1.00 25.00 C ATOM 570 C LEU B 47 20.033 -7.877 3.433 1.00 25.00 C ATOM 571 O LEU B 47 21.237 -7.894 3.263 1.00 25.00 O ATOM 572 CB LEU B 47 18.991 -9.900 4.431 1.00 25.00 C ATOM 573 CG LEU B 47 18.642 -10.728 5.688 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.920 -12.047 5.329 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.905 -11.048 6.515 1.00 25.00 C ATOM 0 H LEU B 47 17.446 -8.127 5.221 1.00 25.00 H new ATOM 0 HA LEU B 47 20.217 -8.460 5.503 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.117 -9.863 3.780 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.778 -10.413 3.879 1.00 25.00 H new ATOM 0 HG LEU B 47 17.967 -10.114 6.284 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.693 -12.598 6.242 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.993 -11.822 4.801 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.564 -12.652 4.691 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.627 -11.631 7.393 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.604 -11.621 5.905 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.378 -10.118 6.832 1.00 25.00 H new ATOM 587 N VAL B 48 19.182 -7.371 2.537 1.00 25.00 N ATOM 588 CA VAL B 48 19.639 -6.790 1.268 1.00 25.00 C ATOM 589 C VAL B 48 20.371 -5.507 1.578 1.00 25.00 C ATOM 590 O VAL B 48 21.405 -5.256 0.982 1.00 25.00 O ATOM 591 CB VAL B 48 18.424 -6.547 0.267 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.782 -5.677 -0.945 1.00 25.00 C ATOM 593 CG2 VAL B 48 17.892 -7.900 -0.206 1.00 25.00 C ATOM 0 H VAL B 48 18.170 -7.351 2.665 1.00 25.00 H new ATOM 0 HA VAL B 48 20.312 -7.484 0.764 1.00 25.00 H new ATOM 0 HB VAL B 48 17.664 -5.995 0.819 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.904 -5.557 -1.579 1.00 25.00 H new ATOM 0 HG12 VAL B 48 19.119 -4.698 -0.603 1.00 25.00 H new ATOM 0 HG13 VAL B 48 19.578 -6.156 -1.515 1.00 25.00 H new ATOM 0 HG21 VAL B 48 17.060 -7.744 -0.892 1.00 25.00 H new ATOM 0 HG22 VAL B 48 18.686 -8.445 -0.717 1.00 25.00 H new ATOM 0 HG23 VAL B 48 17.551 -8.477 0.653 1.00 25.00 H new ATOM 603 N CYS B 49 19.920 -4.760 2.568 1.00 25.00 N ATOM 604 CA CYS B 49 20.647 -3.581 2.998 1.00 25.00 C ATOM 605 C CYS B 49 21.982 -3.909 3.657 1.00 25.00 C ATOM 606 O CYS B 49 22.937 -3.162 3.528 1.00 25.00 O ATOM 607 CB CYS B 49 19.777 -2.764 3.940 1.00 25.00 C ATOM 608 SG CYS B 49 18.358 -1.972 3.123 1.00 25.00 S ATOM 0 H CYS B 49 19.061 -4.946 3.086 1.00 25.00 H new ATOM 0 HA CYS B 49 20.881 -3.001 2.105 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.411 -3.412 4.736 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.389 -1.995 4.411 1.00 25.00 H new ATOM 613 N GLY B 50 22.041 -5.050 4.324 1.00 25.00 N ATOM 614 CA GLY B 50 23.272 -5.535 4.942 1.00 25.00 C ATOM 615 C GLY B 50 23.133 -5.703 6.452 1.00 25.00 C ATOM 616 O GLY B 50 22.863 -6.805 6.969 1.00 25.00 O ATOM 0 H GLY B 50 21.240 -5.668 4.454 1.00 25.00 H new ATOM 0 HA2 GLY B 50 23.548 -6.490 4.496 1.00 25.00 H new ATOM 0 HA3 GLY B 50 24.082 -4.838 4.729 1.00 25.00 H new ATOM 620 N GLU B 51 23.311 -4.616 7.191 1.00 25.00 N ATOM 621 CA GLU B 51 23.208 -4.693 8.678 1.00 25.00 C ATOM 622 C GLU B 51 22.781 -3.311 9.203 1.00 25.00 C ATOM 623 O GLU B 51 23.102 -2.937 10.300 1.00 25.00 O ATOM 624 CB GLU B 51 24.617 -5.104 9.267 1.00 25.00 C ATOM 625 CG GLU B 51 24.621 -5.587 10.764 1.00 25.00 C ATOM 626 CD GLU B 51 25.967 -5.381 11.432 1.00 25.00 C ATOM 627 OE1 GLU B 51 26.219 -4.452 12.157 1.00 25.00 O ATOM 628 OE2 GLU B 51 26.856 -6.279 11.133 1.00 25.00 O ATOM 0 H GLU B 51 23.521 -3.690 6.819 1.00 25.00 H new ATOM 0 HA GLU B 51 22.472 -5.437 8.983 1.00 25.00 H new ATOM 0 HB2 GLU B 51 25.030 -5.900 8.647 1.00 25.00 H new ATOM 0 HB3 GLU B 51 25.289 -4.250 9.179 1.00 25.00 H new ATOM 0 HG2 GLU B 51 23.855 -5.046 11.320 1.00 25.00 H new ATOM 0 HG3 GLU B 51 24.356 -6.644 10.803 1.00 25.00 H new ATOM 636 N GLN B 52 22.144 -2.513 8.327 1.00 25.00 N ATOM 637 CA GLN B 52 21.831 -1.119 8.693 1.00 25.00 C ATOM 638 C GLN B 52 20.924 -1.017 9.944 1.00 25.00 C ATOM 639 O GLN B 52 21.171 -0.216 10.805 1.00 25.00 O ATOM 640 CB GLN B 52 21.102 -0.397 7.530 1.00 25.00 C ATOM 641 CG GLN B 52 21.876 -0.398 6.201 1.00 25.00 C ATOM 642 CD GLN B 52 21.309 0.528 5.136 1.00 25.00 C ATOM 643 OE1 GLN B 52 20.124 0.800 5.121 1.00 25.00 O ATOM 644 NE2 GLN B 52 22.144 1.022 4.240 1.00 25.00 N ATOM 0 H GLN B 52 21.845 -2.795 7.393 1.00 25.00 H new ATOM 0 HA GLN B 52 22.790 -0.649 8.909 1.00 25.00 H new ATOM 0 HB2 GLN B 52 20.133 -0.872 7.373 1.00 25.00 H new ATOM 0 HB3 GLN B 52 20.908 0.635 7.823 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.910 -0.114 6.398 1.00 25.00 H new ATOM 0 HG3 GLN B 52 21.894 -1.414 5.807 1.00 25.00 H new ATOM 0 HE21 GLN B 52 23.134 0.777 4.276 1.00 25.00 H new ATOM 0 HE22 GLN B 52 21.799 1.648 3.512 1.00 25.00 H new ATOM 653 N GLY B 53 19.840 -1.780 9.995 1.00 25.00 N ATOM 654 CA GLY B 53 18.845 -1.654 11.089 1.00 25.00 C ATOM 655 C GLY B 53 17.921 -0.466 10.831 1.00 25.00 C ATOM 656 O GLY B 53 18.304 0.666 10.918 1.00 25.00 O ATOM 0 H GLY B 53 19.614 -2.494 9.302 1.00 25.00 H new ATOM 0 HA2 GLY B 53 18.259 -2.570 11.164 1.00 25.00 H new ATOM 0 HA3 GLY B 53 19.357 -1.525 12.042 1.00 25.00 H new ATOM 660 N PHE B 54 16.663 -0.726 10.441 1.00 25.00 N ATOM 661 CA PHE B 54 15.735 0.373 10.160 1.00 25.00 C ATOM 662 C PHE B 54 15.177 1.024 11.451 1.00 25.00 C ATOM 663 O PHE B 54 14.606 2.154 11.362 1.00 25.00 O ATOM 664 CB PHE B 54 14.569 -0.085 9.278 1.00 25.00 C ATOM 665 CG PHE B 54 15.004 -0.861 8.086 1.00 25.00 C ATOM 666 CD1 PHE B 54 15.877 -0.310 7.168 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.588 -2.196 7.932 1.00 25.00 C ATOM 668 CE1 PHE B 54 16.363 -1.106 6.079 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.059 -2.968 6.872 1.00 25.00 C ATOM 670 CZ PHE B 54 15.940 -2.425 5.936 1.00 25.00 C ATOM 0 H PHE B 54 16.276 -1.661 10.316 1.00 25.00 H new ATOM 0 HA PHE B 54 16.317 1.123 9.624 1.00 25.00 H new ATOM 0 HB2 PHE B 54 13.890 -0.696 9.873 1.00 25.00 H new ATOM 0 HB3 PHE B 54 14.006 0.789 8.949 1.00 25.00 H new ATOM 0 HD1 PHE B 54 16.193 0.718 7.270 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.897 -2.626 8.642 1.00 25.00 H new ATOM 0 HE1 PHE B 54 17.058 -0.682 5.369 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.740 -3.995 6.774 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.291 -3.023 5.108 1.00 25.00 H new ATOM 680 N PHE B 55 15.218 0.310 12.571 1.00 25.00 N ATOM 681 CA PHE B 55 14.717 0.850 13.835 1.00 25.00 C ATOM 682 C PHE B 55 15.386 0.095 14.969 1.00 25.00 C ATOM 683 O PHE B 55 15.420 -1.157 14.935 1.00 25.00 O ATOM 684 CB PHE B 55 13.206 0.704 13.940 1.00 25.00 C ATOM 685 CG PHE B 55 12.607 1.341 15.192 1.00 25.00 C ATOM 686 CD1 PHE B 55 12.235 2.683 15.159 1.00 25.00 C ATOM 687 CD2 PHE B 55 12.415 0.624 16.364 1.00 25.00 C ATOM 688 CE1 PHE B 55 11.642 3.323 16.324 1.00 25.00 C ATOM 689 CE2 PHE B 55 11.814 1.220 17.517 1.00 25.00 C ATOM 690 CZ PHE B 55 11.437 2.579 17.484 1.00 25.00 C ATOM 0 H PHE B 55 15.590 -0.638 12.632 1.00 25.00 H new ATOM 0 HA PHE B 55 14.949 1.914 13.888 1.00 25.00 H new ATOM 0 HB2 PHE B 55 12.746 1.153 13.060 1.00 25.00 H new ATOM 0 HB3 PHE B 55 12.952 -0.356 13.927 1.00 25.00 H new ATOM 0 HD1 PHE B 55 12.389 3.256 14.257 1.00 25.00 H new ATOM 0 HD2 PHE B 55 12.727 -0.409 16.407 1.00 25.00 H new ATOM 0 HE1 PHE B 55 11.363 4.366 16.290 1.00 25.00 H new ATOM 0 HE2 PHE B 55 11.650 0.633 18.408 1.00 25.00 H new ATOM 0 HZ PHE B 55 10.992 3.040 18.353 1.00 25.00 H new ATOM 700 N TYR B 56 15.885 0.821 15.938 1.00 25.00 N ATOM 701 CA TYR B 56 16.485 0.239 17.125 1.00 25.00 C ATOM 702 C TYR B 56 16.322 1.259 18.244 1.00 25.00 C ATOM 703 O TYR B 56 16.314 2.474 17.983 1.00 25.00 O ATOM 704 CB TYR B 56 17.955 -0.074 16.874 1.00 25.00 C ATOM 705 CG TYR B 56 18.693 -0.673 18.059 1.00 25.00 C ATOM 706 CD1 TYR B 56 18.580 -2.100 18.289 1.00 25.00 C ATOM 707 CD2 TYR B 56 19.451 0.104 18.936 1.00 25.00 C ATOM 708 CE1 TYR B 56 19.293 -2.712 19.360 1.00 25.00 C ATOM 709 CE2 TYR B 56 20.069 -0.492 20.060 1.00 25.00 C ATOM 710 CZ TYR B 56 19.991 -1.911 20.241 1.00 25.00 C ATOM 711 OH TYR B 56 20.636 -2.461 21.311 1.00 25.00 O ATOM 0 H TYR B 56 15.889 1.841 15.931 1.00 25.00 H new ATOM 0 HA TYR B 56 16.002 -0.701 17.394 1.00 25.00 H new ATOM 0 HB2 TYR B 56 18.026 -0.765 16.034 1.00 25.00 H new ATOM 0 HB3 TYR B 56 18.461 0.844 16.576 1.00 25.00 H new ATOM 0 HD1 TYR B 56 17.953 -2.701 17.647 1.00 25.00 H new ATOM 0 HD2 TYR B 56 19.566 1.163 18.756 1.00 25.00 H new ATOM 0 HE1 TYR B 56 19.287 -3.785 19.481 1.00 25.00 H new ATOM 0 HE2 TYR B 56 20.597 0.119 20.778 1.00 25.00 H new ATOM 0 HH TYR B 56 21.077 -1.754 21.826 1.00 25.00 H new ATOM 721 N THR B 57 16.223 0.786 19.485 1.00 25.00 N ATOM 722 CA THR B 57 16.069 1.669 20.616 1.00 25.00 C ATOM 723 C THR B 57 17.210 1.473 21.638 1.00 25.00 C ATOM 724 O THR B 57 17.190 0.570 22.478 1.00 25.00 O ATOM 725 CB THR B 57 14.700 1.494 21.238 1.00 25.00 C ATOM 726 OG1 THR B 57 14.744 2.030 22.561 1.00 25.00 O ATOM 727 CG2 THR B 57 14.300 -0.017 21.348 1.00 25.00 C ATOM 0 H THR B 57 16.248 -0.206 19.722 1.00 25.00 H new ATOM 0 HA THR B 57 16.140 2.699 20.268 1.00 25.00 H new ATOM 0 HB THR B 57 13.970 2.003 20.609 1.00 25.00 H new ATOM 0 HG1 THR B 57 13.866 1.929 22.984 1.00 25.00 H new ATOM 0 HG21 THR B 57 13.311 -0.100 21.799 1.00 25.00 H new ATOM 0 HG22 THR B 57 14.283 -0.462 20.353 1.00 25.00 H new ATOM 0 HG23 THR B 57 15.027 -0.542 21.968 1.00 25.00 H new ATOM 735 N PRO B 58 18.245 2.313 21.551 1.00 25.00 N ATOM 736 CA PRO B 58 19.383 2.217 22.460 1.00 25.00 C ATOM 737 C PRO B 58 19.066 2.766 23.848 1.00 25.00 C ATOM 738 O PRO B 58 18.025 3.347 24.035 1.00 25.00 O ATOM 739 CB PRO B 58 20.444 3.076 21.776 1.00 25.00 C ATOM 740 CG PRO B 58 19.656 4.135 21.077 1.00 25.00 C ATOM 741 CD PRO B 58 18.393 3.432 20.640 1.00 25.00 C ATOM 0 HA PRO B 58 19.689 1.184 22.628 1.00 25.00 H new ATOM 0 HB2 PRO B 58 21.137 3.506 22.499 1.00 25.00 H new ATOM 0 HB3 PRO B 58 21.039 2.492 21.074 1.00 25.00 H new ATOM 0 HG2 PRO B 58 19.437 4.971 21.741 1.00 25.00 H new ATOM 0 HG3 PRO B 58 20.202 4.540 20.224 1.00 25.00 H new ATOM 0 HD2 PRO B 58 17.533 4.099 20.693 1.00 25.00 H new ATOM 0 HD3 PRO B 58 18.469 3.091 19.607 1.00 25.00 H new ATOM 749 N LYS B 59 19.955 2.612 24.796 1.00 25.00 N ATOM 750 CA LYS B 59 19.812 3.239 26.111 1.00 25.00 C ATOM 751 C LYS B 59 21.012 4.080 26.484 1.00 25.00 C ATOM 752 O LYS B 59 21.058 4.743 27.512 1.00 25.00 O ATOM 753 CB LYS B 59 19.475 2.192 27.215 1.00 25.00 C ATOM 754 CG LYS B 59 20.650 1.241 27.686 1.00 25.00 C ATOM 755 CD LYS B 59 20.240 0.402 28.849 1.00 25.00 C ATOM 756 CE LYS B 59 21.394 -0.535 29.332 1.00 25.00 C ATOM 757 NZ LYS B 59 21.681 -1.571 28.235 1.00 25.00 N ATOM 0 H LYS B 59 20.801 2.052 24.691 1.00 25.00 H new ATOM 0 HA LYS B 59 18.965 3.921 26.040 1.00 25.00 H new ATOM 0 HB2 LYS B 59 19.102 2.728 28.088 1.00 25.00 H new ATOM 0 HB3 LYS B 59 18.659 1.568 26.852 1.00 25.00 H new ATOM 0 HG2 LYS B 59 20.952 0.597 26.860 1.00 25.00 H new ATOM 0 HG3 LYS B 59 21.519 1.841 27.957 1.00 25.00 H new ATOM 0 HD2 LYS B 59 19.930 1.048 29.670 1.00 25.00 H new ATOM 0 HD3 LYS B 59 19.375 -0.201 28.574 1.00 25.00 H new ATOM 0 HE2 LYS B 59 22.290 0.048 29.544 1.00 25.00 H new ATOM 0 HE3 LYS B 59 21.112 -1.035 30.259 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 22.296 -2.319 28.616 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 20.786 -1.990 27.911 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 22.156 -1.107 27.435 1.00 25.00 H new ATOM 771 N THR B 60 22.080 4.035 25.673 1.00 25.00 N ATOM 772 CA THR B 60 23.324 4.763 25.936 1.00 25.00 C ATOM 773 C THR B 60 23.780 5.452 24.671 1.00 25.00 C ATOM 774 O THR B 60 23.480 5.059 23.577 1.00 25.00 O ATOM 775 CB THR B 60 24.469 3.846 26.494 1.00 25.00 C ATOM 776 OG1 THR B 60 25.614 4.629 26.871 1.00 25.00 O ATOM 777 CG2 THR B 60 24.994 2.803 25.472 1.00 25.00 C ATOM 778 OXT THR B 60 24.395 6.596 24.861 1.00 25.00 O ATOM 0 H THR B 60 22.102 3.488 24.812 1.00 25.00 H new ATOM 0 HA THR B 60 23.110 5.497 26.713 1.00 25.00 H new ATOM 0 HB THR B 60 24.013 3.332 27.340 1.00 25.00 H new ATOM 0 HG1 THR B 60 26.315 4.038 27.217 1.00 25.00 H new ATOM 0 HG21 THR B 60 25.783 2.208 25.932 1.00 25.00 H new ATOM 0 HG22 THR B 60 24.177 2.149 25.167 1.00 25.00 H new ATOM 0 HG23 THR B 60 25.391 3.318 24.598 1.00 25.00 H new TER 787 THR B 60