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: B 39 SER OG : rot 180:sc= -0.131 USER MOD Set 1.2: B 57 THR OG1 : rot 180:sc=-0.00332 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -47:sc= 1.16 USER MOD Single : A 9 SER OG : rot 180:sc= -0.155 USER MOD Single : A 12 SER OG : rot 180:sc= 0.197 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 18 ASN : amide:sc=-0.00633 K(o=-0.0063,f=-0.98) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.952 K(o=-0.95,f=-0.17) USER MOD Single : B 33 ASN : amide:sc= 0.272 K(o=0.27,f=-3.7!) USER MOD Single : B 34 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 0.164 K(o=0.16,f=-3.9!) USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : B 56 TYR OH : 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 2.578 1.715 -2.663 1.00 25.00 N ATOM 2 CA GLY A 1 2.900 1.037 -1.383 1.00 25.00 C ATOM 3 C GLY A 1 3.740 -0.227 -1.492 1.00 25.00 C ATOM 4 O GLY A 1 3.377 -1.223 -2.083 1.00 25.00 O ATOM 0 H1 GLY A 1 2.004 2.561 -2.473 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.459 1.994 -3.139 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.044 1.065 -3.275 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.425 1.745 -0.742 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.965 0.786 -0.882 1.00 25.00 H new ATOM 9 N ILE A 2 4.932 -0.199 -0.872 1.00 25.00 N ATOM 10 CA ILE A 2 5.852 -1.351 -0.924 1.00 25.00 C ATOM 11 C ILE A 2 5.226 -2.644 -0.358 1.00 25.00 C ATOM 12 O ILE A 2 5.349 -3.717 -0.958 1.00 25.00 O ATOM 13 CB ILE A 2 7.244 -1.034 -0.218 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.230 -2.200 -0.484 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.073 -0.754 1.286 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.644 -1.990 0.076 1.00 25.00 C ATOM 0 H ILE A 2 5.279 0.596 -0.336 1.00 25.00 H new ATOM 0 HA ILE A 2 6.046 -1.529 -1.982 1.00 25.00 H new ATOM 0 HB ILE A 2 7.658 -0.122 -0.647 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.816 -3.112 -0.054 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.301 -2.359 -1.560 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.046 -0.542 1.730 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.417 0.105 1.424 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.635 -1.626 1.771 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.261 -2.857 -0.159 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.084 -1.099 -0.372 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.592 -1.864 1.157 1.00 25.00 H new ATOM 28 N VAL A 3 4.468 -2.542 0.732 1.00 25.00 N ATOM 29 CA VAL A 3 3.826 -3.716 1.341 1.00 25.00 C ATOM 30 C VAL A 3 2.690 -4.246 0.461 1.00 25.00 C ATOM 31 O VAL A 3 2.583 -5.445 0.221 1.00 25.00 O ATOM 32 CB VAL A 3 3.234 -3.364 2.764 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.790 -4.629 3.506 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.264 -2.627 3.621 1.00 25.00 C ATOM 0 H VAL A 3 4.281 -1.663 1.214 1.00 25.00 H new ATOM 0 HA VAL A 3 4.596 -4.481 1.442 1.00 25.00 H new ATOM 0 HB VAL A 3 2.371 -2.719 2.599 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.387 -4.356 4.481 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.022 -5.140 2.926 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.645 -5.292 3.639 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.830 -2.397 4.594 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.143 -3.257 3.755 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.554 -1.701 3.125 1.00 25.00 H new ATOM 44 N GLU A 4 1.880 -3.315 -0.035 1.00 25.00 N ATOM 45 CA GLU A 4 0.746 -3.642 -0.903 1.00 25.00 C ATOM 46 C GLU A 4 1.218 -4.323 -2.177 1.00 25.00 C ATOM 47 O GLU A 4 0.582 -5.245 -2.673 1.00 25.00 O ATOM 48 CB GLU A 4 -0.020 -2.368 -1.243 1.00 25.00 C ATOM 49 CG GLU A 4 -0.718 -1.788 -0.048 1.00 25.00 C ATOM 50 CD GLU A 4 -1.435 -0.511 -0.371 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.883 0.548 -0.499 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.741 -0.661 -0.510 1.00 25.00 O ATOM 0 H GLU A 4 1.987 -2.318 0.150 1.00 25.00 H new ATOM 0 HA GLU A 4 0.088 -4.331 -0.374 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.670 -1.630 -1.652 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.753 -2.584 -2.020 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.432 -2.514 0.341 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.011 -1.603 0.741 1.00 25.00 H new ATOM 60 N GLN A 5 2.340 -3.869 -2.699 1.00 25.00 N ATOM 61 CA GLN A 5 2.919 -4.446 -3.922 1.00 25.00 C ATOM 62 C GLN A 5 3.505 -5.826 -3.637 1.00 25.00 C ATOM 63 O GLN A 5 3.145 -6.805 -4.267 1.00 25.00 O ATOM 64 CB GLN A 5 4.011 -3.492 -4.453 1.00 25.00 C ATOM 65 CG GLN A 5 4.544 -3.831 -5.853 1.00 25.00 C ATOM 66 CD GLN A 5 5.611 -2.847 -6.288 1.00 25.00 C ATOM 67 OE1 GLN A 5 6.782 -3.184 -6.395 1.00 25.00 O ATOM 68 NE2 GLN A 5 5.212 -1.632 -6.576 1.00 25.00 N ATOM 0 H GLN A 5 2.880 -3.100 -2.302 1.00 25.00 H new ATOM 0 HA GLN A 5 2.140 -4.564 -4.675 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.610 -2.478 -4.469 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.846 -3.494 -3.752 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.955 -4.841 -5.854 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.723 -3.821 -6.570 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.228 -1.381 -6.477 1.00 25.00 H new ATOM 0 HE22 GLN A 5 5.885 -0.937 -6.900 1.00 25.00 H new ATOM 77 N CYS A 6 4.390 -5.914 -2.663 1.00 25.00 N ATOM 78 CA CYS A 6 5.104 -7.165 -2.411 1.00 25.00 C ATOM 79 C CYS A 6 4.274 -8.292 -1.847 1.00 25.00 C ATOM 80 O CYS A 6 4.591 -9.471 -2.065 1.00 25.00 O ATOM 81 CB CYS A 6 6.291 -6.885 -1.502 1.00 25.00 C ATOM 82 SG CYS A 6 7.513 -5.750 -2.258 1.00 25.00 S ATOM 0 H CYS A 6 4.635 -5.148 -2.036 1.00 25.00 H new ATOM 0 HA CYS A 6 5.420 -7.524 -3.390 1.00 25.00 H new ATOM 0 HB2 CYS A 6 5.933 -6.455 -0.567 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.782 -7.826 -1.253 1.00 25.00 H new ATOM 87 N CYS A 7 3.171 -7.958 -1.203 1.00 25.00 N ATOM 88 CA CYS A 7 2.301 -9.005 -0.676 1.00 25.00 C ATOM 89 C CYS A 7 1.713 -9.863 -1.810 1.00 25.00 C ATOM 90 O CYS A 7 1.319 -11.017 -1.611 1.00 25.00 O ATOM 91 CB CYS A 7 1.163 -8.407 0.162 1.00 25.00 C ATOM 92 SG CYS A 7 0.824 -9.277 1.732 1.00 25.00 S ATOM 0 H CYS A 7 2.858 -7.002 -1.033 1.00 25.00 H new ATOM 0 HA CYS A 7 2.912 -9.642 -0.036 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.403 -7.367 0.384 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.253 -8.403 -0.438 1.00 25.00 H new ATOM 97 N THR A 8 1.681 -9.295 -3.014 1.00 25.00 N ATOM 98 CA THR A 8 1.132 -9.978 -4.186 1.00 25.00 C ATOM 99 C THR A 8 2.185 -9.970 -5.314 1.00 25.00 C ATOM 100 O THR A 8 1.863 -10.059 -6.509 1.00 25.00 O ATOM 101 CB THR A 8 -0.227 -9.315 -4.632 1.00 25.00 C ATOM 102 OG1 THR A 8 -0.679 -9.905 -5.848 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.101 -7.771 -4.801 1.00 25.00 C ATOM 0 H THR A 8 2.031 -8.356 -3.205 1.00 25.00 H new ATOM 0 HA THR A 8 0.905 -11.015 -3.939 1.00 25.00 H new ATOM 0 HB THR A 8 -0.955 -9.497 -3.842 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.066 -9.958 -6.482 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.062 -7.359 -5.109 1.00 25.00 H new ATOM 0 HG22 THR A 8 0.198 -7.324 -3.853 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.649 -7.548 -5.560 1.00 25.00 H new ATOM 111 N SER A 9 3.459 -9.924 -4.935 1.00 25.00 N ATOM 112 CA SER A 9 4.574 -9.964 -5.890 1.00 25.00 C ATOM 113 C SER A 9 5.708 -10.793 -5.308 1.00 25.00 C ATOM 114 O SER A 9 5.665 -11.220 -4.151 1.00 25.00 O ATOM 115 CB SER A 9 5.052 -8.537 -6.218 1.00 25.00 C ATOM 116 OG SER A 9 6.099 -8.527 -7.197 1.00 25.00 O ATOM 0 H SER A 9 3.752 -9.858 -3.960 1.00 25.00 H new ATOM 0 HA SER A 9 4.238 -10.426 -6.818 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.210 -7.949 -6.583 1.00 25.00 H new ATOM 0 HB3 SER A 9 5.405 -8.056 -5.306 1.00 25.00 H new ATOM 0 HG SER A 9 6.370 -7.603 -7.376 1.00 25.00 H new ATOM 122 N ILE A 10 6.725 -11.054 -6.117 1.00 25.00 N ATOM 123 CA ILE A 10 7.923 -11.753 -5.659 1.00 25.00 C ATOM 124 C ILE A 10 8.790 -10.735 -4.896 1.00 25.00 C ATOM 125 O ILE A 10 9.366 -11.056 -3.873 1.00 25.00 O ATOM 126 CB ILE A 10 8.768 -12.353 -6.844 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.959 -13.394 -7.650 1.00 25.00 C ATOM 128 CG2 ILE A 10 10.032 -13.045 -6.309 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.694 -14.764 -6.890 1.00 25.00 C ATOM 0 H ILE A 10 6.746 -10.791 -7.102 1.00 25.00 H new ATOM 0 HA ILE A 10 7.615 -12.589 -5.030 1.00 25.00 H new ATOM 0 HB ILE A 10 9.035 -11.520 -7.494 1.00 25.00 H new ATOM 0 HG12 ILE A 10 7.000 -12.955 -7.924 1.00 25.00 H new ATOM 0 HG13 ILE A 10 8.489 -13.606 -8.578 1.00 25.00 H new ATOM 0 HG21 ILE A 10 10.603 -13.454 -7.142 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.643 -12.321 -5.771 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.747 -13.852 -5.634 1.00 25.00 H new ATOM 0 HD11 ILE A 10 7.120 -15.431 -7.533 1.00 25.00 H new ATOM 0 HD12 ILE A 10 8.646 -15.231 -6.640 1.00 25.00 H new ATOM 0 HD13 ILE A 10 7.134 -14.570 -5.975 1.00 25.00 H new ATOM 141 N CYS A 11 8.879 -9.528 -5.451 1.00 25.00 N ATOM 142 CA CYS A 11 9.774 -8.471 -4.954 1.00 25.00 C ATOM 143 C CYS A 11 11.199 -9.023 -4.744 1.00 25.00 C ATOM 144 O CYS A 11 11.731 -9.031 -3.641 1.00 25.00 O ATOM 145 CB CYS A 11 9.219 -7.816 -3.698 1.00 25.00 C ATOM 146 SG CYS A 11 7.919 -6.585 -4.076 1.00 25.00 S ATOM 0 H CYS A 11 8.330 -9.248 -6.264 1.00 25.00 H new ATOM 0 HA CYS A 11 9.834 -7.688 -5.710 1.00 25.00 H new ATOM 0 HB2 CYS A 11 8.810 -8.583 -3.041 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.030 -7.330 -3.155 1.00 25.00 H new ATOM 151 N SER A 12 11.734 -9.552 -5.830 1.00 25.00 N ATOM 152 CA SER A 12 13.025 -10.211 -5.854 1.00 25.00 C ATOM 153 C SER A 12 14.121 -9.245 -5.482 1.00 25.00 C ATOM 154 O SER A 12 13.964 -8.053 -5.703 1.00 25.00 O ATOM 155 CB SER A 12 13.249 -10.734 -7.268 1.00 25.00 C ATOM 156 OG SER A 12 12.273 -10.183 -8.136 1.00 25.00 O ATOM 0 H SER A 12 11.272 -9.534 -6.739 1.00 25.00 H new ATOM 0 HA SER A 12 13.043 -11.028 -5.133 1.00 25.00 H new ATOM 0 HB2 SER A 12 14.249 -10.468 -7.612 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.188 -11.822 -7.279 1.00 25.00 H new ATOM 0 HG SER A 12 12.418 -10.518 -9.046 1.00 25.00 H new ATOM 162 N LEU A 13 15.270 -9.731 -5.004 1.00 25.00 N ATOM 163 CA LEU A 13 16.350 -8.840 -4.566 1.00 25.00 C ATOM 164 C LEU A 13 16.823 -7.879 -5.661 1.00 25.00 C ATOM 165 O LEU A 13 17.236 -6.768 -5.364 1.00 25.00 O ATOM 166 CB LEU A 13 17.546 -9.658 -4.025 1.00 25.00 C ATOM 167 CG LEU A 13 18.648 -10.152 -4.976 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.929 -10.371 -4.210 1.00 25.00 C ATOM 169 CD2 LEU A 13 18.238 -11.414 -5.693 1.00 25.00 C ATOM 0 H LEU A 13 15.476 -10.726 -4.911 1.00 25.00 H new ATOM 0 HA LEU A 13 15.933 -8.227 -3.767 1.00 25.00 H new ATOM 0 HB2 LEU A 13 18.030 -9.052 -3.259 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.136 -10.535 -3.525 1.00 25.00 H new ATOM 0 HG LEU A 13 18.810 -9.384 -5.733 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.705 -10.721 -4.891 1.00 25.00 H new ATOM 0 HD12 LEU A 13 20.244 -9.433 -3.752 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.765 -11.117 -3.433 1.00 25.00 H new ATOM 0 HD21 LEU A 13 19.042 -11.733 -6.356 1.00 25.00 H new ATOM 0 HD22 LEU A 13 18.037 -12.198 -4.963 1.00 25.00 H new ATOM 0 HD23 LEU A 13 17.338 -11.224 -6.279 1.00 25.00 H new ATOM 181 N TYR A 14 16.690 -8.270 -6.918 1.00 25.00 N ATOM 182 CA TYR A 14 17.076 -7.410 -8.037 1.00 25.00 C ATOM 183 C TYR A 14 16.232 -6.123 -8.094 1.00 25.00 C ATOM 184 O TYR A 14 16.727 -5.041 -8.380 1.00 25.00 O ATOM 185 CB TYR A 14 16.896 -8.210 -9.321 1.00 25.00 C ATOM 186 CG TYR A 14 17.333 -7.448 -10.553 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.688 -7.412 -10.945 1.00 25.00 C ATOM 188 CD2 TYR A 14 16.402 -6.731 -11.304 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.106 -6.692 -12.089 1.00 25.00 C ATOM 190 CE2 TYR A 14 16.823 -5.955 -12.432 1.00 25.00 C ATOM 191 CZ TYR A 14 18.175 -5.955 -12.813 1.00 25.00 C ATOM 192 OH TYR A 14 18.599 -5.212 -13.882 1.00 25.00 O ATOM 0 H TYR A 14 16.317 -9.178 -7.195 1.00 25.00 H new ATOM 0 HA TYR A 14 18.113 -7.101 -7.909 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.467 -9.135 -9.250 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.848 -8.490 -9.425 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.422 -7.946 -10.359 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.357 -6.761 -11.033 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.141 -6.715 -12.398 1.00 25.00 H new ATOM 0 HE2 TYR A 14 16.103 -5.372 -12.988 1.00 25.00 H new ATOM 0 HH TYR A 14 17.833 -4.754 -14.287 1.00 25.00 H new ATOM 202 N GLN A 15 14.950 -6.249 -7.759 1.00 25.00 N ATOM 203 CA GLN A 15 14.054 -5.103 -7.722 1.00 25.00 C ATOM 204 C GLN A 15 14.127 -4.452 -6.349 1.00 25.00 C ATOM 205 O GLN A 15 14.147 -3.250 -6.243 1.00 25.00 O ATOM 206 CB GLN A 15 12.618 -5.550 -8.009 1.00 25.00 C ATOM 207 CG GLN A 15 11.649 -4.384 -8.229 1.00 25.00 C ATOM 208 CD GLN A 15 10.292 -4.879 -8.669 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.804 -5.892 -8.189 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.680 -4.185 -9.604 1.00 25.00 N ATOM 0 H GLN A 15 14.511 -7.135 -7.510 1.00 25.00 H new ATOM 0 HA GLN A 15 14.357 -4.384 -8.483 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.614 -6.188 -8.893 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.261 -6.157 -7.177 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.549 -3.812 -7.307 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.054 -3.708 -8.982 1.00 25.00 H new ATOM 0 HE21 GLN A 15 10.116 -3.344 -9.983 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.770 -4.488 -9.950 1.00 25.00 H new ATOM 219 N LEU A 16 14.224 -5.266 -5.310 1.00 25.00 N ATOM 220 CA LEU A 16 14.343 -4.773 -3.934 1.00 25.00 C ATOM 221 C LEU A 16 15.534 -3.850 -3.683 1.00 25.00 C ATOM 222 O LEU A 16 15.425 -2.885 -2.902 1.00 25.00 O ATOM 223 CB LEU A 16 14.408 -5.982 -3.002 1.00 25.00 C ATOM 224 CG LEU A 16 13.987 -5.795 -1.534 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.527 -5.341 -1.446 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.166 -7.082 -0.776 1.00 25.00 C ATOM 0 H LEU A 16 14.223 -6.283 -5.389 1.00 25.00 H new ATOM 0 HA LEU A 16 13.467 -4.154 -3.740 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.783 -6.766 -3.430 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.433 -6.353 -3.009 1.00 25.00 H new ATOM 0 HG LEU A 16 14.620 -5.026 -1.091 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.248 -5.214 -0.400 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.409 -4.393 -1.971 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.884 -6.092 -1.905 1.00 25.00 H new ATOM 0 HD21 LEU A 16 13.865 -6.938 0.262 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.550 -7.859 -1.228 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.213 -7.383 -0.812 1.00 25.00 H new ATOM 238 N GLU A 17 16.648 -4.072 -4.367 1.00 25.00 N ATOM 239 CA GLU A 17 17.816 -3.197 -4.213 1.00 25.00 C ATOM 240 C GLU A 17 17.491 -1.780 -4.691 1.00 25.00 C ATOM 241 O GLU A 17 18.139 -0.824 -4.276 1.00 25.00 O ATOM 242 CB GLU A 17 18.991 -3.774 -5.013 1.00 25.00 C ATOM 243 CG GLU A 17 19.747 -4.873 -4.271 1.00 25.00 C ATOM 244 CD GLU A 17 20.731 -5.588 -5.153 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.140 -5.151 -6.184 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.084 -6.762 -4.717 1.00 25.00 O ATOM 0 H GLU A 17 16.774 -4.839 -5.028 1.00 25.00 H new ATOM 0 HA GLU A 17 18.088 -3.145 -3.159 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.618 -4.173 -5.956 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.684 -2.969 -5.259 1.00 25.00 H new ATOM 0 HG2 GLU A 17 20.274 -4.438 -3.422 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.034 -5.593 -3.869 1.00 25.00 H new ATOM 254 N ASN A 18 16.451 -1.600 -5.505 1.00 25.00 N ATOM 255 CA ASN A 18 16.119 -0.266 -5.975 1.00 25.00 C ATOM 256 C ASN A 18 15.647 0.604 -4.807 1.00 25.00 C ATOM 257 O ASN A 18 15.760 1.822 -4.827 1.00 25.00 O ATOM 258 CB ASN A 18 15.066 -0.331 -7.093 1.00 25.00 C ATOM 259 CG ASN A 18 14.919 0.981 -7.830 1.00 25.00 C ATOM 260 OD1 ASN A 18 15.887 1.686 -8.045 1.00 25.00 O ATOM 261 ND2 ASN A 18 13.725 1.293 -8.232 1.00 25.00 N ATOM 0 H ASN A 18 15.841 -2.344 -5.843 1.00 25.00 H new ATOM 0 HA ASN A 18 17.014 0.193 -6.395 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.341 -1.113 -7.801 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.104 -0.613 -6.665 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.571 2.158 -8.750 1.00 25.00 H new ATOM 0 HD22 ASN A 18 12.941 0.673 -8.030 1.00 25.00 H new ATOM 268 N TYR A 19 15.116 -0.036 -3.767 1.00 25.00 N ATOM 269 CA TYR A 19 14.642 0.680 -2.576 1.00 25.00 C ATOM 270 C TYR A 19 15.845 1.099 -1.669 1.00 25.00 C ATOM 271 O TYR A 19 15.679 1.917 -0.775 1.00 25.00 O ATOM 272 CB TYR A 19 13.666 -0.195 -1.777 1.00 25.00 C ATOM 273 CG TYR A 19 12.366 -0.469 -2.512 1.00 25.00 C ATOM 274 CD1 TYR A 19 12.233 -1.592 -3.367 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.257 0.365 -2.330 1.00 25.00 C ATOM 276 CE1 TYR A 19 11.025 -1.883 -4.022 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.025 0.094 -2.978 1.00 25.00 C ATOM 278 CZ TYR A 19 9.912 -1.034 -3.820 1.00 25.00 C ATOM 279 OH TYR A 19 8.681 -1.258 -4.422 1.00 25.00 O ATOM 0 H TYR A 19 15.002 -1.049 -3.721 1.00 25.00 H new ATOM 0 HA TYR A 19 14.122 1.580 -2.906 1.00 25.00 H new ATOM 0 HB2 TYR A 19 14.149 -1.143 -1.541 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.443 0.294 -0.829 1.00 25.00 H new ATOM 0 HD1 TYR A 19 13.083 -2.241 -3.519 1.00 25.00 H new ATOM 0 HD2 TYR A 19 11.341 1.228 -1.686 1.00 25.00 H new ATOM 0 HE1 TYR A 19 10.947 -2.743 -4.671 1.00 25.00 H new ATOM 0 HE2 TYR A 19 9.178 0.747 -2.828 1.00 25.00 H new ATOM 0 HH TYR A 19 8.052 -0.558 -4.150 1.00 25.00 H new ATOM 289 N CYS A 20 17.045 0.629 -2.002 1.00 25.00 N ATOM 290 CA CYS A 20 18.281 1.116 -1.353 1.00 25.00 C ATOM 291 C CYS A 20 19.067 1.964 -2.329 1.00 25.00 C ATOM 292 O CYS A 20 20.206 2.308 -2.096 1.00 25.00 O ATOM 293 CB CYS A 20 19.156 -0.034 -0.878 1.00 25.00 C ATOM 294 SG CYS A 20 18.487 -0.884 0.573 1.00 25.00 S ATOM 0 H CYS A 20 17.198 -0.086 -2.713 1.00 25.00 H new ATOM 0 HA CYS A 20 17.990 1.707 -0.485 1.00 25.00 H new ATOM 0 HB2 CYS A 20 19.274 -0.752 -1.690 1.00 25.00 H new ATOM 0 HB3 CYS A 20 20.150 0.347 -0.642 1.00 25.00 H new ATOM 299 N ASN A 21 18.453 2.253 -3.481 1.00 25.00 N ATOM 300 CA ASN A 21 19.081 3.111 -4.504 1.00 25.00 C ATOM 301 C ASN A 21 18.289 4.380 -4.703 1.00 25.00 C ATOM 302 O ASN A 21 18.754 5.486 -4.432 1.00 25.00 O ATOM 303 CB ASN A 21 19.308 2.352 -5.837 1.00 25.00 C ATOM 304 CG ASN A 21 20.576 1.540 -5.836 1.00 25.00 C ATOM 305 OD1 ASN A 21 20.660 0.435 -6.317 1.00 25.00 O ATOM 306 ND2 ASN A 21 21.670 2.115 -5.340 1.00 25.00 N ATOM 307 OXT ASN A 21 17.086 4.216 -5.171 1.00 25.00 O ATOM 0 H ASN A 21 17.526 1.910 -3.732 1.00 25.00 H new ATOM 0 HA ASN A 21 20.068 3.393 -4.138 1.00 25.00 H new ATOM 0 HB2 ASN A 21 18.460 1.693 -6.024 1.00 25.00 H new ATOM 0 HB3 ASN A 21 19.341 3.069 -6.657 1.00 25.00 H new ATOM 0 HD21 ASN A 21 22.563 1.623 -5.370 1.00 25.00 H new ATOM 0 HD22 ASN A 21 21.615 3.048 -4.931 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.680 -13.555 -2.632 1.00 25.00 N ATOM 317 CA PHE B 31 18.910 -14.513 -1.794 1.00 25.00 C ATOM 318 C PHE B 31 17.794 -15.183 -2.553 1.00 25.00 C ATOM 319 O PHE B 31 17.508 -14.871 -3.679 1.00 25.00 O ATOM 320 CB PHE B 31 18.460 -13.794 -0.510 1.00 25.00 C ATOM 321 CG PHE B 31 17.223 -12.930 -0.690 1.00 25.00 C ATOM 322 CD1 PHE B 31 15.967 -13.507 -0.547 1.00 25.00 C ATOM 323 CD2 PHE B 31 17.326 -11.569 -1.004 1.00 25.00 C ATOM 324 CE1 PHE B 31 14.814 -12.751 -0.710 1.00 25.00 C ATOM 325 CE2 PHE B 31 16.167 -10.812 -1.157 1.00 25.00 C ATOM 326 CZ PHE B 31 14.903 -11.394 -1.027 1.00 25.00 C ATOM 0 HA PHE B 31 19.553 -15.344 -1.504 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.262 -14.538 0.261 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.278 -13.170 -0.149 1.00 25.00 H new ATOM 0 HD1 PHE B 31 15.887 -14.557 -0.306 1.00 25.00 H new ATOM 0 HD2 PHE B 31 18.296 -11.110 -1.126 1.00 25.00 H new ATOM 0 HE1 PHE B 31 13.845 -13.214 -0.591 1.00 25.00 H new ATOM 0 HE2 PHE B 31 16.246 -9.758 -1.380 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.010 -10.804 -1.169 1.00 25.00 H new ATOM 337 N VAL B 32 17.208 -16.226 -1.962 1.00 25.00 N ATOM 338 CA VAL B 32 16.144 -16.988 -2.612 1.00 25.00 C ATOM 339 C VAL B 32 14.900 -16.084 -2.868 1.00 25.00 C ATOM 340 O VAL B 32 14.264 -15.532 -1.979 1.00 25.00 O ATOM 341 CB VAL B 32 15.775 -18.246 -1.794 1.00 25.00 C ATOM 342 CG1 VAL B 32 15.622 -17.891 -0.301 1.00 25.00 C ATOM 343 CG2 VAL B 32 14.478 -18.946 -2.364 1.00 25.00 C ATOM 0 H VAL B 32 17.455 -16.562 -1.031 1.00 25.00 H new ATOM 0 HA VAL B 32 16.512 -17.331 -3.579 1.00 25.00 H new ATOM 0 HB VAL B 32 16.589 -18.965 -1.887 1.00 25.00 H new ATOM 0 HG11 VAL B 32 15.362 -18.788 0.261 1.00 25.00 H new ATOM 0 HG12 VAL B 32 16.562 -17.487 0.075 1.00 25.00 H new ATOM 0 HG13 VAL B 32 14.834 -17.147 -0.183 1.00 25.00 H new ATOM 0 HG21 VAL B 32 14.247 -19.827 -1.765 1.00 25.00 H new ATOM 0 HG22 VAL B 32 13.641 -18.249 -2.323 1.00 25.00 H new ATOM 0 HG23 VAL B 32 14.650 -19.245 -3.398 1.00 25.00 H new ATOM 353 N ASN B 33 14.573 -15.914 -4.126 1.00 25.00 N ATOM 354 CA ASN B 33 13.470 -15.081 -4.495 1.00 25.00 C ATOM 355 C ASN B 33 12.144 -15.817 -4.378 1.00 25.00 C ATOM 356 O ASN B 33 11.906 -16.811 -5.068 1.00 25.00 O ATOM 357 CB ASN B 33 13.692 -14.611 -5.922 1.00 25.00 C ATOM 358 CG ASN B 33 14.878 -13.678 -6.036 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.940 -12.676 -5.348 1.00 25.00 O ATOM 360 ND2 ASN B 33 15.815 -13.996 -6.900 1.00 25.00 N ATOM 0 H ASN B 33 15.062 -16.346 -4.910 1.00 25.00 H new ATOM 0 HA ASN B 33 13.419 -14.230 -3.815 1.00 25.00 H new ATOM 0 HB2 ASN B 33 13.848 -15.475 -6.568 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.796 -14.103 -6.280 1.00 25.00 H new ATOM 0 HD21 ASN B 33 16.631 -13.394 -7.012 1.00 25.00 H new ATOM 0 HD22 ASN B 33 15.727 -14.845 -7.459 1.00 25.00 H new ATOM 367 N GLN B 34 11.289 -15.325 -3.491 1.00 25.00 N ATOM 368 CA GLN B 34 10.011 -15.938 -3.202 1.00 25.00 C ATOM 369 C GLN B 34 9.112 -14.822 -2.682 1.00 25.00 C ATOM 370 O GLN B 34 9.597 -13.742 -2.381 1.00 25.00 O ATOM 371 CB GLN B 34 10.194 -17.044 -2.134 1.00 25.00 C ATOM 372 CG GLN B 34 10.747 -16.541 -0.798 1.00 25.00 C ATOM 373 CD GLN B 34 11.081 -17.659 0.132 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.265 -18.538 0.403 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.290 -17.680 0.634 1.00 25.00 N ATOM 0 H GLN B 34 11.471 -14.480 -2.949 1.00 25.00 H new ATOM 0 HA GLN B 34 9.574 -16.406 -4.084 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.232 -17.526 -1.958 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.865 -17.807 -2.528 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.640 -15.942 -0.979 1.00 25.00 H new ATOM 0 HG3 GLN B 34 10.014 -15.886 -0.327 1.00 25.00 H new ATOM 0 HE21 GLN B 34 12.953 -16.942 0.398 1.00 25.00 H new ATOM 0 HE22 GLN B 34 12.569 -18.434 1.261 1.00 25.00 H new ATOM 384 N HIS B 35 7.800 -15.061 -2.631 1.00 25.00 N ATOM 385 CA HIS B 35 6.874 -14.029 -2.163 1.00 25.00 C ATOM 386 C HIS B 35 7.108 -13.726 -0.686 1.00 25.00 C ATOM 387 O HIS B 35 7.381 -14.648 0.103 1.00 25.00 O ATOM 388 CB HIS B 35 5.417 -14.499 -2.320 1.00 25.00 C ATOM 389 CG HIS B 35 5.020 -14.798 -3.724 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.776 -13.824 -4.668 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.764 -15.964 -4.362 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.409 -14.400 -5.804 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.383 -15.691 -5.631 1.00 25.00 N ATOM 0 H HIS B 35 7.362 -15.941 -2.902 1.00 25.00 H new ATOM 0 HA HIS B 35 7.051 -13.136 -2.763 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.268 -15.393 -1.714 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.754 -13.730 -1.923 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.864 -12.819 -4.517 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.850 -16.950 -3.929 1.00 25.00 H new ATOM 0 HE1 HIS B 35 4.171 -13.884 -6.722 1.00 25.00 H new ATOM 402 N LEU B 36 6.958 -12.463 -0.298 1.00 25.00 N ATOM 403 CA LEU B 36 7.160 -12.035 1.093 1.00 25.00 C ATOM 404 C LEU B 36 6.257 -10.872 1.469 1.00 25.00 C ATOM 405 O LEU B 36 5.891 -10.045 0.638 1.00 25.00 O ATOM 406 CB LEU B 36 8.631 -11.646 1.334 1.00 25.00 C ATOM 407 CG LEU B 36 9.463 -11.125 0.137 1.00 25.00 C ATOM 408 CD1 LEU B 36 9.075 -9.731 -0.326 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.916 -11.112 0.594 1.00 25.00 C ATOM 0 H LEU B 36 6.695 -11.707 -0.930 1.00 25.00 H new ATOM 0 HA LEU B 36 6.900 -12.883 1.727 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.648 -10.879 2.109 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.143 -12.519 1.738 1.00 25.00 H new ATOM 0 HG LEU B 36 9.284 -11.779 -0.716 1.00 25.00 H new ATOM 0 HD11 LEU B 36 9.704 -9.439 -1.167 1.00 25.00 H new ATOM 0 HD12 LEU B 36 8.030 -9.728 -0.636 1.00 25.00 H new ATOM 0 HD13 LEU B 36 9.213 -9.024 0.492 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.549 -10.751 -0.216 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.020 -10.454 1.457 1.00 25.00 H new ATOM 0 HD23 LEU B 36 11.220 -12.122 0.869 1.00 25.00 H new ATOM 421 N CYS B 37 5.855 -10.830 2.729 1.00 25.00 N ATOM 422 CA CYS B 37 4.944 -9.817 3.227 1.00 25.00 C ATOM 423 C CYS B 37 5.089 -9.815 4.744 1.00 25.00 C ATOM 424 O CYS B 37 5.720 -10.742 5.302 1.00 25.00 O ATOM 425 CB CYS B 37 3.508 -10.147 2.813 1.00 25.00 C ATOM 426 SG CYS B 37 2.359 -8.757 2.962 1.00 25.00 S ATOM 0 H CYS B 37 6.154 -11.501 3.437 1.00 25.00 H new ATOM 0 HA CYS B 37 5.176 -8.834 2.816 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.510 -10.494 1.780 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.145 -10.972 3.426 1.00 25.00 H new ATOM 431 N GLY B 38 4.570 -8.792 5.401 1.00 25.00 N ATOM 432 CA GLY B 38 4.719 -8.702 6.854 1.00 25.00 C ATOM 433 C GLY B 38 6.174 -8.601 7.260 1.00 25.00 C ATOM 434 O GLY B 38 6.967 -7.969 6.578 1.00 25.00 O ATOM 0 H GLY B 38 4.053 -8.026 4.970 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.177 -7.831 7.223 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.270 -9.579 7.321 1.00 25.00 H new ATOM 438 N SER B 39 6.534 -9.260 8.364 1.00 25.00 N ATOM 439 CA SER B 39 7.912 -9.282 8.847 1.00 25.00 C ATOM 440 C SER B 39 8.896 -9.871 7.852 1.00 25.00 C ATOM 441 O SER B 39 10.080 -9.512 7.866 1.00 25.00 O ATOM 442 CB SER B 39 7.964 -10.089 10.138 1.00 25.00 C ATOM 443 OG SER B 39 6.810 -9.853 10.925 1.00 25.00 O ATOM 0 H SER B 39 5.882 -9.789 8.943 1.00 25.00 H new ATOM 0 HA SER B 39 8.212 -8.246 9.006 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.040 -11.151 9.905 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.857 -9.822 10.704 1.00 25.00 H new ATOM 0 HG SER B 39 6.862 -10.381 11.749 1.00 25.00 H new ATOM 449 N HIS B 40 8.466 -10.785 6.997 1.00 25.00 N ATOM 450 CA HIS B 40 9.418 -11.423 6.072 1.00 25.00 C ATOM 451 C HIS B 40 9.966 -10.368 5.091 1.00 25.00 C ATOM 452 O HIS B 40 11.127 -10.417 4.686 1.00 25.00 O ATOM 453 CB HIS B 40 8.752 -12.555 5.312 1.00 25.00 C ATOM 454 CG HIS B 40 8.462 -13.755 6.149 1.00 25.00 C ATOM 455 ND1 HIS B 40 7.983 -14.965 5.630 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.588 -13.982 7.477 1.00 25.00 C ATOM 457 CE1 HIS B 40 7.840 -15.827 6.632 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.197 -15.259 7.752 1.00 25.00 N ATOM 0 H HIS B 40 7.500 -11.101 6.916 1.00 25.00 H new ATOM 0 HA HIS B 40 10.243 -11.843 6.648 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.820 -12.191 4.880 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.394 -12.849 4.482 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.942 -13.266 8.204 1.00 25.00 H new ATOM 0 HE1 HIS B 40 7.483 -16.842 6.534 1.00 25.00 H new ATOM 0 HE2 HIS B 40 8.185 -15.695 8.674 1.00 25.00 H new ATOM 467 N LEU B 41 9.121 -9.402 4.737 1.00 25.00 N ATOM 468 CA LEU B 41 9.495 -8.371 3.793 1.00 25.00 C ATOM 469 C LEU B 41 10.599 -7.512 4.384 1.00 25.00 C ATOM 470 O LEU B 41 11.642 -7.347 3.783 1.00 25.00 O ATOM 471 CB LEU B 41 8.261 -7.516 3.441 1.00 25.00 C ATOM 472 CG LEU B 41 8.364 -6.425 2.354 1.00 25.00 C ATOM 473 CD1 LEU B 41 6.920 -6.084 1.923 1.00 25.00 C ATOM 474 CD2 LEU B 41 9.057 -5.122 2.833 1.00 25.00 C ATOM 0 H LEU B 41 8.170 -9.319 5.096 1.00 25.00 H new ATOM 0 HA LEU B 41 9.868 -8.830 2.878 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.468 -8.200 3.140 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.931 -7.029 4.359 1.00 25.00 H new ATOM 0 HG LEU B 41 8.977 -6.816 1.542 1.00 25.00 H new ATOM 0 HD11 LEU B 41 6.943 -5.314 1.152 1.00 25.00 H new ATOM 0 HD12 LEU B 41 6.437 -6.978 1.528 1.00 25.00 H new ATOM 0 HD13 LEU B 41 6.360 -5.719 2.784 1.00 25.00 H new ATOM 0 HD21 LEU B 41 9.091 -4.405 2.013 1.00 25.00 H new ATOM 0 HD22 LEU B 41 8.496 -4.696 3.665 1.00 25.00 H new ATOM 0 HD23 LEU B 41 10.072 -5.348 3.159 1.00 25.00 H new ATOM 486 N VAL B 42 10.367 -7.003 5.587 1.00 25.00 N ATOM 487 CA VAL B 42 11.327 -6.110 6.211 1.00 25.00 C ATOM 488 C VAL B 42 12.591 -6.858 6.611 1.00 25.00 C ATOM 489 O VAL B 42 13.660 -6.284 6.629 1.00 25.00 O ATOM 490 CB VAL B 42 10.761 -5.338 7.436 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.589 -4.438 7.030 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.308 -6.269 8.532 1.00 25.00 C ATOM 0 H VAL B 42 9.532 -7.192 6.142 1.00 25.00 H new ATOM 0 HA VAL B 42 11.565 -5.365 5.452 1.00 25.00 H new ATOM 0 HB VAL B 42 11.578 -4.724 7.816 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.214 -3.911 7.907 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.926 -3.714 6.288 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.792 -5.048 6.605 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.920 -5.686 9.367 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.524 -6.924 8.152 1.00 25.00 H new ATOM 0 HG23 VAL B 42 11.152 -6.871 8.870 1.00 25.00 H new ATOM 502 N GLU B 43 12.498 -8.145 6.869 1.00 25.00 N ATOM 503 CA GLU B 43 13.697 -8.924 7.165 1.00 25.00 C ATOM 504 C GLU B 43 14.547 -9.142 5.914 1.00 25.00 C ATOM 505 O GLU B 43 15.730 -9.003 5.979 1.00 25.00 O ATOM 506 CB GLU B 43 13.366 -10.266 7.797 1.00 25.00 C ATOM 507 CG GLU B 43 13.148 -10.147 9.301 1.00 25.00 C ATOM 508 CD GLU B 43 14.370 -9.693 10.036 1.00 25.00 C ATOM 509 OE1 GLU B 43 14.550 -8.577 10.418 1.00 25.00 O ATOM 510 OE2 GLU B 43 15.222 -10.628 10.252 1.00 25.00 O ATOM 0 H GLU B 43 11.625 -8.673 6.882 1.00 25.00 H new ATOM 0 HA GLU B 43 14.270 -8.339 7.884 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.470 -10.675 7.331 1.00 25.00 H new ATOM 0 HB3 GLU B 43 14.176 -10.969 7.602 1.00 25.00 H new ATOM 0 HG2 GLU B 43 12.336 -9.445 9.490 1.00 25.00 H new ATOM 0 HG3 GLU B 43 12.833 -11.113 9.694 1.00 25.00 H new ATOM 518 N ALA B 44 13.962 -9.427 4.761 1.00 25.00 N ATOM 519 CA ALA B 44 14.770 -9.573 3.547 1.00 25.00 C ATOM 520 C ALA B 44 15.409 -8.232 3.227 1.00 25.00 C ATOM 521 O ALA B 44 16.581 -8.175 2.844 1.00 25.00 O ATOM 522 CB ALA B 44 13.933 -10.028 2.407 1.00 25.00 C ATOM 0 H ALA B 44 12.959 -9.560 4.634 1.00 25.00 H new ATOM 0 HA ALA B 44 15.542 -10.324 3.713 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.554 -10.129 1.517 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.484 -10.992 2.647 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.146 -9.297 2.219 1.00 25.00 H new ATOM 528 N LEU B 45 14.645 -7.166 3.409 1.00 25.00 N ATOM 529 CA LEU B 45 15.151 -5.812 3.190 1.00 25.00 C ATOM 530 C LEU B 45 16.317 -5.486 4.143 1.00 25.00 C ATOM 531 O LEU B 45 17.345 -4.953 3.695 1.00 25.00 O ATOM 532 CB LEU B 45 13.997 -4.800 3.358 1.00 25.00 C ATOM 533 CG LEU B 45 14.248 -3.333 2.965 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.949 -3.183 1.617 1.00 25.00 C ATOM 535 CD2 LEU B 45 12.884 -2.617 2.936 1.00 25.00 C ATOM 0 H LEU B 45 13.671 -7.208 3.708 1.00 25.00 H new ATOM 0 HA LEU B 45 15.541 -5.744 2.174 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.151 -5.161 2.773 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.691 -4.816 4.404 1.00 25.00 H new ATOM 0 HG LEU B 45 14.919 -2.889 3.701 1.00 25.00 H new ATOM 0 HD11 LEU B 45 15.096 -2.125 1.399 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.916 -3.684 1.652 1.00 25.00 H new ATOM 0 HD13 LEU B 45 14.336 -3.632 0.836 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.027 -1.572 2.660 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.235 -3.100 2.205 1.00 25.00 H new ATOM 0 HD23 LEU B 45 12.423 -2.672 3.922 1.00 25.00 H new ATOM 547 N TYR B 46 16.199 -5.865 5.418 1.00 25.00 N ATOM 548 CA TYR B 46 17.258 -5.640 6.404 1.00 25.00 C ATOM 549 C TYR B 46 18.523 -6.385 6.033 1.00 25.00 C ATOM 550 O TYR B 46 19.617 -5.827 6.101 1.00 25.00 O ATOM 551 CB TYR B 46 16.800 -6.096 7.793 1.00 25.00 C ATOM 552 CG TYR B 46 17.896 -6.079 8.839 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.217 -4.880 9.528 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.620 -7.249 9.157 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.242 -4.856 10.495 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.641 -7.235 10.155 1.00 25.00 C ATOM 557 CZ TYR B 46 19.928 -6.034 10.809 1.00 25.00 C ATOM 558 OH TYR B 46 20.893 -5.978 11.785 1.00 25.00 O ATOM 0 H TYR B 46 15.374 -6.333 5.793 1.00 25.00 H new ATOM 0 HA TYR B 46 17.470 -4.571 6.417 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.985 -5.453 8.125 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.399 -7.107 7.718 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.669 -3.975 9.309 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.398 -8.169 8.637 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.497 -3.932 10.992 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.182 -8.137 10.400 1.00 25.00 H new ATOM 0 HH TYR B 46 21.290 -6.866 11.904 1.00 25.00 H new ATOM 568 N LEU B 47 18.346 -7.637 5.634 1.00 25.00 N ATOM 569 CA LEU B 47 19.477 -8.502 5.290 1.00 25.00 C ATOM 570 C LEU B 47 20.196 -8.028 4.032 1.00 25.00 C ATOM 571 O LEU B 47 21.416 -8.104 3.982 1.00 25.00 O ATOM 572 CB LEU B 47 18.984 -9.931 5.062 1.00 25.00 C ATOM 573 CG LEU B 47 18.488 -10.672 6.307 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.809 -12.010 5.894 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.634 -10.966 7.300 1.00 25.00 C ATOM 0 H LEU B 47 17.432 -8.080 5.539 1.00 25.00 H new ATOM 0 HA LEU B 47 20.179 -8.464 6.123 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.175 -9.904 4.332 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.795 -10.508 4.618 1.00 25.00 H new ATOM 0 HG LEU B 47 17.767 -10.024 6.806 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.459 -12.531 6.785 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.962 -11.802 5.240 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.529 -12.636 5.367 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.237 -11.492 8.168 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.387 -11.585 6.813 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.087 -10.028 7.621 1.00 25.00 H new ATOM 587 N VAL B 48 19.471 -7.567 3.008 1.00 25.00 N ATOM 588 CA VAL B 48 20.126 -7.096 1.767 1.00 25.00 C ATOM 589 C VAL B 48 20.777 -5.714 1.981 1.00 25.00 C ATOM 590 O VAL B 48 21.916 -5.502 1.572 1.00 25.00 O ATOM 591 CB VAL B 48 19.166 -7.165 0.516 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.014 -6.194 0.589 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.961 -6.932 -0.772 1.00 25.00 C ATOM 0 H VAL B 48 18.453 -7.507 3.004 1.00 25.00 H new ATOM 0 HA VAL B 48 20.937 -7.785 1.529 1.00 25.00 H new ATOM 0 HB VAL B 48 18.733 -8.165 0.516 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.395 -6.296 -0.303 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.414 -6.407 1.473 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.399 -5.176 0.649 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.289 -6.982 -1.629 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.431 -5.949 -0.737 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.730 -7.699 -0.869 1.00 25.00 H new ATOM 603 N CYS B 49 20.084 -4.820 2.669 1.00 25.00 N ATOM 604 CA CYS B 49 20.621 -3.482 2.989 1.00 25.00 C ATOM 605 C CYS B 49 19.718 -2.766 4.020 1.00 25.00 C ATOM 606 O CYS B 49 18.957 -1.886 3.694 1.00 25.00 O ATOM 607 CB CYS B 49 20.743 -2.599 1.742 1.00 25.00 C ATOM 608 SG CYS B 49 19.382 -2.701 0.533 1.00 25.00 S ATOM 0 H CYS B 49 19.142 -4.987 3.024 1.00 25.00 H new ATOM 0 HA CYS B 49 21.617 -3.635 3.406 1.00 25.00 H new ATOM 0 HB2 CYS B 49 20.834 -1.562 2.066 1.00 25.00 H new ATOM 0 HB3 CYS B 49 21.672 -2.856 1.232 1.00 25.00 H new ATOM 613 N GLY B 50 19.843 -3.168 5.278 1.00 25.00 N ATOM 614 CA GLY B 50 19.066 -2.553 6.352 1.00 25.00 C ATOM 615 C GLY B 50 19.456 -1.183 6.875 1.00 25.00 C ATOM 616 O GLY B 50 19.416 -0.179 6.183 1.00 25.00 O ATOM 0 H GLY B 50 20.471 -3.913 5.581 1.00 25.00 H new ATOM 0 HA2 GLY B 50 18.033 -2.489 6.010 1.00 25.00 H new ATOM 0 HA3 GLY B 50 19.080 -3.240 7.198 1.00 25.00 H new ATOM 620 N GLU B 51 19.781 -1.147 8.175 1.00 25.00 N ATOM 621 CA GLU B 51 20.123 0.102 8.895 1.00 25.00 C ATOM 622 C GLU B 51 18.968 1.141 8.901 1.00 25.00 C ATOM 623 O GLU B 51 19.207 2.323 9.127 1.00 25.00 O ATOM 624 CB GLU B 51 21.419 0.731 8.353 1.00 25.00 C ATOM 625 CG GLU B 51 22.647 -0.217 8.307 1.00 25.00 C ATOM 626 CD GLU B 51 23.942 0.504 7.968 1.00 25.00 C ATOM 627 OE1 GLU B 51 24.073 1.700 8.012 1.00 25.00 O ATOM 628 OE2 GLU B 51 24.920 -0.312 7.685 1.00 25.00 O ATOM 0 H GLU B 51 19.816 -1.980 8.763 1.00 25.00 H new ATOM 0 HA GLU B 51 20.287 -0.190 9.932 1.00 25.00 H new ATOM 0 HB2 GLU B 51 21.230 1.103 7.346 1.00 25.00 H new ATOM 0 HB3 GLU B 51 21.670 1.594 8.969 1.00 25.00 H new ATOM 0 HG2 GLU B 51 22.754 -0.710 9.273 1.00 25.00 H new ATOM 0 HG3 GLU B 51 22.468 -0.998 7.568 1.00 25.00 H new ATOM 636 N GLN B 52 17.720 0.669 8.770 1.00 25.00 N ATOM 637 CA GLN B 52 16.543 1.564 8.853 1.00 25.00 C ATOM 638 C GLN B 52 15.634 1.275 10.063 1.00 25.00 C ATOM 639 O GLN B 52 14.612 1.945 10.263 1.00 25.00 O ATOM 640 CB GLN B 52 15.695 1.452 7.588 1.00 25.00 C ATOM 641 CG GLN B 52 16.430 1.778 6.304 1.00 25.00 C ATOM 642 CD GLN B 52 15.517 1.696 5.101 1.00 25.00 C ATOM 643 OE1 GLN B 52 14.626 0.857 5.028 1.00 25.00 O ATOM 644 NE2 GLN B 52 15.701 2.592 4.176 1.00 25.00 N ATOM 0 H GLN B 52 17.495 -0.313 8.608 1.00 25.00 H new ATOM 0 HA GLN B 52 16.950 2.569 8.968 1.00 25.00 H new ATOM 0 HB2 GLN B 52 15.302 0.438 7.519 1.00 25.00 H new ATOM 0 HB3 GLN B 52 14.839 2.120 7.680 1.00 25.00 H new ATOM 0 HG2 GLN B 52 16.854 2.780 6.372 1.00 25.00 H new ATOM 0 HG3 GLN B 52 17.263 1.087 6.176 1.00 25.00 H new ATOM 0 HE21 GLN B 52 16.453 3.275 4.270 1.00 25.00 H new ATOM 0 HE22 GLN B 52 15.094 2.612 3.357 1.00 25.00 H new ATOM 653 N GLY B 53 16.012 0.312 10.912 1.00 25.00 N ATOM 654 CA GLY B 53 15.226 0.039 12.118 1.00 25.00 C ATOM 655 C GLY B 53 14.042 -0.895 11.921 1.00 25.00 C ATOM 656 O GLY B 53 13.915 -1.846 12.662 1.00 25.00 O ATOM 0 H GLY B 53 16.836 -0.277 10.791 1.00 25.00 H new ATOM 0 HA2 GLY B 53 15.885 -0.390 12.873 1.00 25.00 H new ATOM 0 HA3 GLY B 53 14.860 0.985 12.516 1.00 25.00 H new ATOM 660 N PHE B 54 13.212 -0.635 10.906 1.00 25.00 N ATOM 661 CA PHE B 54 12.058 -1.505 10.567 1.00 25.00 C ATOM 662 C PHE B 54 11.141 -1.852 11.734 1.00 25.00 C ATOM 663 O PHE B 54 11.041 -3.003 12.183 1.00 25.00 O ATOM 664 CB PHE B 54 12.558 -2.772 9.937 1.00 25.00 C ATOM 665 CG PHE B 54 13.486 -2.544 8.760 1.00 25.00 C ATOM 666 CD1 PHE B 54 12.993 -2.068 7.536 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.872 -2.812 8.881 1.00 25.00 C ATOM 668 CE1 PHE B 54 13.831 -1.889 6.427 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.722 -2.620 7.775 1.00 25.00 C ATOM 670 CZ PHE B 54 15.205 -2.168 6.545 1.00 25.00 C ATOM 0 H PHE B 54 13.311 0.175 10.295 1.00 25.00 H new ATOM 0 HA PHE B 54 11.447 -0.922 9.878 1.00 25.00 H new ATOM 0 HB2 PHE B 54 13.080 -3.360 10.691 1.00 25.00 H new ATOM 0 HB3 PHE B 54 11.705 -3.364 9.606 1.00 25.00 H new ATOM 0 HD1 PHE B 54 11.943 -1.834 7.446 1.00 25.00 H new ATOM 0 HD2 PHE B 54 15.276 -3.163 9.819 1.00 25.00 H new ATOM 0 HE1 PHE B 54 13.425 -1.540 5.489 1.00 25.00 H new ATOM 0 HE2 PHE B 54 16.779 -2.821 7.870 1.00 25.00 H new ATOM 0 HZ PHE B 54 15.860 -2.036 5.697 1.00 25.00 H new ATOM 680 N PHE B 55 10.489 -0.836 12.243 1.00 25.00 N ATOM 681 CA PHE B 55 9.565 -0.961 13.369 1.00 25.00 C ATOM 682 C PHE B 55 8.351 -1.878 13.111 1.00 25.00 C ATOM 683 O PHE B 55 7.842 -1.948 11.986 1.00 25.00 O ATOM 684 CB PHE B 55 9.061 0.430 13.728 1.00 25.00 C ATOM 685 CG PHE B 55 9.574 0.939 15.043 1.00 25.00 C ATOM 686 CD1 PHE B 55 8.891 0.624 16.229 1.00 25.00 C ATOM 687 CD2 PHE B 55 10.710 1.720 15.102 1.00 25.00 C ATOM 688 CE1 PHE B 55 9.361 1.086 17.489 1.00 25.00 C ATOM 689 CE2 PHE B 55 11.180 2.216 16.342 1.00 25.00 C ATOM 690 CZ PHE B 55 10.501 1.885 17.551 1.00 25.00 C ATOM 0 H PHE B 55 10.578 0.117 11.891 1.00 25.00 H new ATOM 0 HA PHE B 55 10.126 -1.428 14.179 1.00 25.00 H new ATOM 0 HB2 PHE B 55 9.352 1.126 12.941 1.00 25.00 H new ATOM 0 HB3 PHE B 55 7.971 0.416 13.754 1.00 25.00 H new ATOM 0 HD1 PHE B 55 7.996 0.022 16.183 1.00 25.00 H new ATOM 0 HD2 PHE B 55 11.245 1.955 14.194 1.00 25.00 H new ATOM 0 HE1 PHE B 55 8.836 0.819 18.394 1.00 25.00 H new ATOM 0 HE2 PHE B 55 12.056 2.847 16.372 1.00 25.00 H new ATOM 0 HZ PHE B 55 10.865 2.248 18.501 1.00 25.00 H new ATOM 700 N TYR B 56 7.899 -2.519 14.185 1.00 25.00 N ATOM 701 CA TYR B 56 6.773 -3.484 14.194 1.00 25.00 C ATOM 702 C TYR B 56 6.922 -4.762 13.315 1.00 25.00 C ATOM 703 O TYR B 56 6.657 -4.777 12.114 1.00 25.00 O ATOM 704 CB TYR B 56 5.418 -2.800 13.919 1.00 25.00 C ATOM 705 CG TYR B 56 4.241 -3.582 14.507 1.00 25.00 C ATOM 706 CD1 TYR B 56 3.666 -4.681 13.808 1.00 25.00 C ATOM 707 CD2 TYR B 56 3.716 -3.263 15.782 1.00 25.00 C ATOM 708 CE1 TYR B 56 2.594 -5.442 14.394 1.00 25.00 C ATOM 709 CE2 TYR B 56 2.647 -4.013 16.347 1.00 25.00 C ATOM 710 CZ TYR B 56 2.114 -5.103 15.665 1.00 25.00 C ATOM 711 OH TYR B 56 1.104 -5.796 16.251 1.00 25.00 O ATOM 0 H TYR B 56 8.311 -2.386 15.109 1.00 25.00 H new ATOM 0 HA TYR B 56 6.805 -3.859 15.217 1.00 25.00 H new ATOM 0 HB2 TYR B 56 5.429 -1.795 14.340 1.00 25.00 H new ATOM 0 HB3 TYR B 56 5.279 -2.694 12.843 1.00 25.00 H new ATOM 0 HD1 TYR B 56 4.038 -4.946 12.829 1.00 25.00 H new ATOM 0 HD2 TYR B 56 4.134 -2.436 16.336 1.00 25.00 H new ATOM 0 HE1 TYR B 56 2.161 -6.272 13.855 1.00 25.00 H new ATOM 0 HE2 TYR B 56 2.247 -3.735 17.311 1.00 25.00 H new ATOM 0 HH TYR B 56 0.912 -5.412 17.132 1.00 25.00 H new ATOM 721 N THR B 57 7.241 -5.853 13.989 1.00 25.00 N ATOM 722 CA THR B 57 7.316 -7.166 13.342 1.00 25.00 C ATOM 723 C THR B 57 6.746 -8.229 14.304 1.00 25.00 C ATOM 724 O THR B 57 7.364 -8.535 15.331 1.00 25.00 O ATOM 725 CB THR B 57 8.807 -7.511 12.943 1.00 25.00 C ATOM 726 OG1 THR B 57 9.048 -8.923 13.081 1.00 25.00 O ATOM 727 CG2 THR B 57 9.834 -6.794 13.851 1.00 25.00 C ATOM 0 H THR B 57 7.454 -5.863 14.986 1.00 25.00 H new ATOM 0 HA THR B 57 6.727 -7.153 12.425 1.00 25.00 H new ATOM 0 HB THR B 57 8.930 -7.181 11.912 1.00 25.00 H new ATOM 0 HG1 THR B 57 9.974 -9.123 12.829 1.00 25.00 H new ATOM 0 HG21 THR B 57 10.844 -7.061 13.540 1.00 25.00 H new ATOM 0 HG22 THR B 57 9.702 -5.715 13.768 1.00 25.00 H new ATOM 0 HG23 THR B 57 9.681 -7.100 14.886 1.00 25.00 H new ATOM 735 N PRO B 58 5.534 -8.756 14.021 1.00 25.00 N ATOM 736 CA PRO B 58 4.990 -9.748 14.971 1.00 25.00 C ATOM 737 C PRO B 58 5.729 -11.098 14.900 1.00 25.00 C ATOM 738 O PRO B 58 6.232 -11.526 13.842 1.00 25.00 O ATOM 739 CB PRO B 58 3.518 -9.895 14.511 1.00 25.00 C ATOM 740 CG PRO B 58 3.589 -9.646 13.064 1.00 25.00 C ATOM 741 CD PRO B 58 4.574 -8.491 12.922 1.00 25.00 C ATOM 0 HA PRO B 58 5.098 -9.433 16.009 1.00 25.00 H new ATOM 0 HB2 PRO B 58 3.126 -10.888 14.729 1.00 25.00 H new ATOM 0 HB3 PRO B 58 2.867 -9.178 15.011 1.00 25.00 H new ATOM 0 HG2 PRO B 58 3.933 -10.529 12.526 1.00 25.00 H new ATOM 0 HG3 PRO B 58 2.612 -9.386 12.658 1.00 25.00 H new ATOM 0 HD2 PRO B 58 5.062 -8.490 11.947 1.00 25.00 H new ATOM 0 HD3 PRO B 58 4.085 -7.523 13.034 1.00 25.00 H new ATOM 749 N LYS B 59 5.784 -11.765 16.054 1.00 25.00 N ATOM 750 CA LYS B 59 6.446 -13.076 16.185 1.00 25.00 C ATOM 751 C LYS B 59 5.437 -14.215 16.339 1.00 25.00 C ATOM 752 O LYS B 59 5.737 -15.368 16.092 1.00 25.00 O ATOM 753 CB LYS B 59 7.380 -13.106 17.407 1.00 25.00 C ATOM 754 CG LYS B 59 8.610 -12.221 17.362 1.00 25.00 C ATOM 755 CD LYS B 59 9.532 -12.605 18.523 1.00 25.00 C ATOM 756 CE LYS B 59 10.830 -11.819 18.451 1.00 25.00 C ATOM 757 NZ LYS B 59 11.830 -12.276 19.464 1.00 25.00 N ATOM 0 H LYS B 59 5.376 -11.419 16.922 1.00 25.00 H new ATOM 0 HA LYS B 59 7.017 -13.218 15.267 1.00 25.00 H new ATOM 0 HB2 LYS B 59 6.796 -12.829 18.285 1.00 25.00 H new ATOM 0 HB3 LYS B 59 7.709 -14.134 17.555 1.00 25.00 H new ATOM 0 HG2 LYS B 59 9.129 -12.343 16.411 1.00 25.00 H new ATOM 0 HG3 LYS B 59 8.324 -11.172 17.437 1.00 25.00 H new ATOM 0 HD2 LYS B 59 9.033 -12.409 19.472 1.00 25.00 H new ATOM 0 HD3 LYS B 59 9.744 -13.674 18.489 1.00 25.00 H new ATOM 0 HE2 LYS B 59 11.257 -11.918 17.453 1.00 25.00 H new ATOM 0 HE3 LYS B 59 10.620 -10.761 18.604 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 12.698 -11.710 19.375 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 11.436 -12.158 20.419 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 12.053 -13.279 19.304 1.00 25.00 H new ATOM 771 N THR B 60 4.245 -13.860 16.874 1.00 25.00 N ATOM 772 CA THR B 60 3.201 -14.866 17.186 1.00 25.00 C ATOM 773 C THR B 60 1.807 -14.301 17.179 1.00 25.00 C ATOM 774 O THR B 60 0.906 -14.722 16.481 1.00 25.00 O ATOM 775 CB THR B 60 3.454 -15.668 18.481 1.00 25.00 C ATOM 776 OG1 THR B 60 2.247 -16.276 18.879 1.00 25.00 O ATOM 777 CG2 THR B 60 3.911 -14.786 19.666 1.00 25.00 C ATOM 778 OXT THR B 60 1.645 -13.261 17.926 1.00 25.00 O ATOM 0 H THR B 60 3.984 -12.899 17.096 1.00 25.00 H new ATOM 0 HA THR B 60 3.279 -15.574 16.361 1.00 25.00 H new ATOM 0 HB THR B 60 4.243 -16.384 18.252 1.00 25.00 H new ATOM 0 HG1 THR B 60 2.395 -16.790 19.700 1.00 25.00 H new ATOM 0 HG21 THR B 60 4.071 -15.411 20.544 1.00 25.00 H new ATOM 0 HG22 THR B 60 4.841 -14.280 19.406 1.00 25.00 H new ATOM 0 HG23 THR B 60 3.143 -14.044 19.884 1.00 25.00 H new TER 787 THR B 60