USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 283 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 2.28 (180deg=1.78) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 170:sc= 0.398 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 1.53 K(o=1.5,f=-8.3!) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 2.43 (180deg=2.32) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.16) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.963) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= 1.1 (180deg=-0.0976) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 3.777 2.990 -2.064 1.00 1.00 N ATOM 18 CA VAL A 2 3.716 4.111 -2.966 1.00 1.00 C ATOM 19 C VAL A 2 3.200 3.427 -4.205 1.00 1.00 C ATOM 20 O VAL A 2 3.624 2.317 -4.510 1.00 1.00 O ATOM 21 CB VAL A 2 5.060 4.758 -3.341 1.00 1.00 C ATOM 22 CG1 VAL A 2 4.831 6.015 -4.207 1.00 1.00 C ATOM 23 CG2 VAL A 2 5.899 5.132 -2.104 1.00 1.00 C ATOM 0 HA VAL A 2 3.141 4.925 -2.525 1.00 1.00 H new ATOM 0 HB VAL A 2 5.619 4.014 -3.909 1.00 1.00 H new ATOM 0 HG11 VAL A 2 5.792 6.460 -4.463 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.305 5.737 -5.120 1.00 1.00 H new ATOM 0 HG13 VAL A 2 4.234 6.737 -3.650 1.00 1.00 H new ATOM 0 HG21 VAL A 2 6.837 5.585 -2.424 1.00 1.00 H new ATOM 0 HG22 VAL A 2 5.345 5.841 -1.489 1.00 1.00 H new ATOM 0 HG23 VAL A 2 6.109 4.235 -1.522 1.00 1.00 H new ATOM 33 N ILE A 3 2.265 4.040 -4.919 1.00 1.00 N ATOM 34 CA ILE A 3 2.005 3.861 -6.295 1.00 1.00 C ATOM 35 C ILE A 3 2.055 5.289 -6.781 1.00 1.00 C ATOM 36 O ILE A 3 1.770 6.229 -6.037 1.00 1.00 O ATOM 37 CB ILE A 3 0.620 3.305 -6.568 1.00 1.00 C ATOM 38 CG1 ILE A 3 -0.286 3.261 -5.318 1.00 1.00 C ATOM 39 CG2 ILE A 3 0.835 1.920 -7.196 1.00 1.00 C ATOM 40 CD1 ILE A 3 -1.717 2.811 -5.648 1.00 1.00 C ATOM 0 H ILE A 3 1.635 4.721 -4.496 1.00 1.00 H new ATOM 0 HA ILE A 3 2.695 3.160 -6.764 1.00 1.00 H new ATOM 0 HB ILE A 3 0.076 3.963 -7.245 1.00 1.00 H new ATOM 0 HG12 ILE A 3 0.146 2.581 -4.584 1.00 1.00 H new ATOM 0 HG13 ILE A 3 -0.315 4.249 -4.859 1.00 1.00 H new ATOM 0 HG21 ILE A 3 -0.131 1.466 -7.416 1.00 1.00 H new ATOM 0 HG22 ILE A 3 1.406 2.024 -8.119 1.00 1.00 H new ATOM 0 HG23 ILE A 3 1.383 1.286 -6.499 1.00 1.00 H new ATOM 0 HD11 ILE A 3 -2.313 2.797 -4.736 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -2.161 3.505 -6.361 1.00 1.00 H new ATOM 0 HD13 ILE A 3 -1.693 1.811 -6.082 1.00 1.00 H new ATOM 52 N ASP A 4 2.404 5.479 -8.049 1.00 1.00 N ATOM 53 CA ASP A 4 2.588 6.752 -8.691 1.00 1.00 C ATOM 54 C ASP A 4 1.363 7.146 -9.503 1.00 1.00 C ATOM 55 O ASP A 4 1.404 7.570 -10.659 1.00 1.00 O ATOM 56 CB ASP A 4 3.928 6.812 -9.468 1.00 1.00 C ATOM 57 CG ASP A 4 4.573 8.167 -9.285 1.00 1.00 C ATOM 58 OD1 ASP A 4 3.930 9.207 -9.584 1.00 1.00 O ATOM 59 OD2 ASP A 4 5.720 8.225 -8.785 1.00 1.00 O ATOM 0 H ASP A 4 2.573 4.697 -8.682 1.00 1.00 H new ATOM 0 HA ASP A 4 2.678 7.520 -7.923 1.00 1.00 H new ATOM 0 HB2 ASP A 4 4.599 6.030 -9.113 1.00 1.00 H new ATOM 0 HB3 ASP A 4 3.752 6.624 -10.527 1.00 1.00 H new ATOM 64 N VAL A 5 0.216 7.049 -8.823 1.00 1.00 N ATOM 65 CA VAL A 5 -1.021 7.664 -9.221 1.00 1.00 C ATOM 66 C VAL A 5 -1.028 9.007 -8.535 1.00 1.00 C ATOM 67 O VAL A 5 -0.950 9.083 -7.308 1.00 1.00 O ATOM 68 CB VAL A 5 -2.257 6.860 -8.846 1.00 1.00 C ATOM 69 CG1 VAL A 5 -3.526 7.608 -9.304 1.00 1.00 C ATOM 70 CG2 VAL A 5 -2.167 5.481 -9.529 1.00 1.00 C ATOM 0 H VAL A 5 0.137 6.520 -7.955 1.00 1.00 H new ATOM 0 HA VAL A 5 -1.069 7.737 -10.307 1.00 1.00 H new ATOM 0 HB VAL A 5 -2.310 6.730 -7.765 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -4.408 7.028 -9.033 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -3.569 8.583 -8.818 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -3.499 7.743 -10.385 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -3.046 4.889 -9.272 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -2.122 5.613 -10.610 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -1.269 4.964 -9.189 1.00 1.00 H new ATOM 80 N LYS A 6 -1.033 10.101 -9.316 1.00 1.00 N ATOM 81 CA LYS A 6 -0.786 11.428 -8.797 1.00 1.00 C ATOM 82 C LYS A 6 -2.072 12.086 -8.332 1.00 1.00 C ATOM 83 O LYS A 6 -3.143 11.886 -8.906 1.00 1.00 O ATOM 84 CB LYS A 6 -0.047 12.343 -9.808 1.00 1.00 C ATOM 85 CG LYS A 6 1.228 11.741 -10.419 1.00 1.00 C ATOM 86 CD LYS A 6 0.990 11.072 -11.788 1.00 1.00 C ATOM 87 CE LYS A 6 2.260 10.643 -12.537 1.00 1.00 C ATOM 88 NZ LYS A 6 2.867 9.455 -11.922 1.00 1.00 N ATOM 0 H LYS A 6 -1.209 10.075 -10.320 1.00 1.00 H new ATOM 0 HA LYS A 6 -0.126 11.299 -7.939 1.00 1.00 H new ATOM 0 HB2 LYS A 6 -0.734 12.596 -10.615 1.00 1.00 H new ATOM 0 HB3 LYS A 6 0.214 13.276 -9.308 1.00 1.00 H new ATOM 0 HG2 LYS A 6 1.975 12.527 -10.531 1.00 1.00 H new ATOM 0 HG3 LYS A 6 1.641 11.005 -9.729 1.00 1.00 H new ATOM 0 HD2 LYS A 6 0.361 10.194 -11.641 1.00 1.00 H new ATOM 0 HD3 LYS A 6 0.431 11.763 -12.419 1.00 1.00 H new ATOM 0 HE2 LYS A 6 2.017 10.432 -13.578 1.00 1.00 H new ATOM 0 HE3 LYS A 6 2.979 11.462 -12.537 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 3.547 9.030 -12.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 3.360 9.730 -11.049 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 2.124 8.763 -11.697 1.00 1.00 H new ATOM 102 N CYS A 7 -2.006 12.868 -7.244 1.00 1.00 N ATOM 103 CA CYS A 7 -3.177 13.395 -6.608 1.00 1.00 C ATOM 104 C CYS A 7 -3.039 14.754 -5.973 1.00 1.00 C ATOM 105 O CYS A 7 -1.997 15.178 -5.487 1.00 1.00 O ATOM 106 CB CYS A 7 -3.691 12.432 -5.514 1.00 1.00 C ATOM 107 SG CYS A 7 -2.409 11.655 -4.484 1.00 1.00 S ATOM 0 H CYS A 7 -1.131 13.140 -6.797 1.00 1.00 H new ATOM 0 HA CYS A 7 -3.875 13.502 -7.438 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -4.371 12.981 -4.863 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -4.273 11.645 -5.993 1.00 1.00 H new ATOM 112 N THR A 8 -4.209 15.407 -5.917 1.00 1.00 N ATOM 113 CA THR A 8 -4.574 16.473 -5.004 1.00 1.00 C ATOM 114 C THR A 8 -5.278 15.880 -3.814 1.00 1.00 C ATOM 115 O THR A 8 -5.086 16.228 -2.653 1.00 1.00 O ATOM 116 CB THR A 8 -5.528 17.447 -5.691 1.00 1.00 C ATOM 117 OG1 THR A 8 -4.837 18.164 -6.699 1.00 1.00 O ATOM 118 CG2 THR A 8 -6.118 18.491 -4.734 1.00 1.00 C ATOM 0 H THR A 8 -4.970 15.180 -6.557 1.00 1.00 H new ATOM 0 HA THR A 8 -3.672 17.000 -4.694 1.00 1.00 H new ATOM 0 HB THR A 8 -6.337 16.837 -6.094 1.00 1.00 H new ATOM 0 HG1 THR A 8 -5.453 18.787 -7.138 1.00 1.00 H new ATOM 0 HG21 THR A 8 -6.787 19.152 -5.285 1.00 1.00 H new ATOM 0 HG22 THR A 8 -6.675 17.987 -3.944 1.00 1.00 H new ATOM 0 HG23 THR A 8 -5.312 19.077 -4.292 1.00 1.00 H new ATOM 126 N SER A 9 -6.147 14.919 -4.111 1.00 1.00 N ATOM 127 CA SER A 9 -7.147 14.406 -3.184 1.00 1.00 C ATOM 128 C SER A 9 -6.808 13.004 -2.724 1.00 1.00 C ATOM 129 O SER A 9 -6.277 12.218 -3.511 1.00 1.00 O ATOM 130 CB SER A 9 -8.561 14.359 -3.839 1.00 1.00 C ATOM 131 OG SER A 9 -9.602 13.914 -2.961 1.00 1.00 O ATOM 0 H SER A 9 -6.175 14.466 -5.024 1.00 1.00 H new ATOM 0 HA SER A 9 -7.151 15.088 -2.334 1.00 1.00 H new ATOM 0 HB2 SER A 9 -8.812 15.354 -4.206 1.00 1.00 H new ATOM 0 HB3 SER A 9 -8.526 13.699 -4.706 1.00 1.00 H new ATOM 0 HG SER A 9 -10.473 14.063 -3.385 1.00 1.00 H new ATOM 137 N PRO A 10 -7.142 12.568 -1.509 1.00 1.00 N ATOM 138 CA PRO A 10 -7.126 11.150 -1.171 1.00 1.00 C ATOM 139 C PRO A 10 -8.108 10.346 -1.989 1.00 1.00 C ATOM 140 O PRO A 10 -7.911 9.150 -2.170 1.00 1.00 O ATOM 141 CB PRO A 10 -7.524 11.138 0.302 1.00 1.00 C ATOM 142 CG PRO A 10 -8.362 12.402 0.498 1.00 1.00 C ATOM 143 CD PRO A 10 -7.658 13.398 -0.410 1.00 1.00 C ATOM 0 HA PRO A 10 -6.156 10.695 -1.373 1.00 1.00 H new ATOM 0 HB2 PRO A 10 -8.096 10.244 0.549 1.00 1.00 H new ATOM 0 HB3 PRO A 10 -6.646 11.143 0.948 1.00 1.00 H new ATOM 0 HG2 PRO A 10 -9.402 12.250 0.208 1.00 1.00 H new ATOM 0 HG3 PRO A 10 -8.366 12.731 1.537 1.00 1.00 H new ATOM 0 HD2 PRO A 10 -8.345 14.162 -0.774 1.00 1.00 H new ATOM 0 HD3 PRO A 10 -6.853 13.916 0.112 1.00 1.00 H new ATOM 151 N LYS A 11 -9.173 10.962 -2.527 1.00 1.00 N ATOM 152 CA LYS A 11 -10.167 10.229 -3.296 1.00 1.00 C ATOM 153 C LYS A 11 -9.609 9.622 -4.572 1.00 1.00 C ATOM 154 O LYS A 11 -9.938 8.500 -4.943 1.00 1.00 O ATOM 155 CB LYS A 11 -11.454 11.049 -3.564 1.00 1.00 C ATOM 156 CG LYS A 11 -12.304 11.314 -2.304 1.00 1.00 C ATOM 157 CD LYS A 11 -12.949 10.037 -1.722 1.00 1.00 C ATOM 158 CE LYS A 11 -13.889 10.304 -0.539 1.00 1.00 C ATOM 159 NZ LYS A 11 -14.472 9.034 -0.040 1.00 1.00 N ATOM 0 H LYS A 11 -9.359 11.961 -2.439 1.00 1.00 H new ATOM 0 HA LYS A 11 -10.457 9.394 -2.658 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -11.177 12.004 -4.010 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -12.064 10.520 -4.296 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -11.677 11.776 -1.542 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -13.089 12.030 -2.548 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -13.506 9.531 -2.510 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -12.160 9.356 -1.401 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -13.342 10.799 0.263 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -14.686 10.981 -0.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -15.105 9.234 0.760 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -15.011 8.576 -0.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -13.709 8.401 0.272 1.00 1.00 H new ATOM 173 N GLN A 12 -8.648 10.308 -5.203 1.00 1.00 N ATOM 174 CA GLN A 12 -7.921 9.828 -6.367 1.00 1.00 C ATOM 175 C GLN A 12 -7.064 8.590 -6.094 1.00 1.00 C ATOM 176 O GLN A 12 -6.640 7.887 -7.005 1.00 1.00 O ATOM 177 CB GLN A 12 -7.001 10.953 -6.903 1.00 1.00 C ATOM 178 CG GLN A 12 -7.742 12.239 -7.336 1.00 1.00 C ATOM 179 CD GLN A 12 -6.749 13.324 -7.740 1.00 1.00 C ATOM 180 OE1 GLN A 12 -6.463 14.228 -6.952 1.00 1.00 O ATOM 181 NE2 GLN A 12 -6.192 13.231 -8.965 1.00 1.00 N ATOM 0 H GLN A 12 -8.352 11.237 -4.903 1.00 1.00 H new ATOM 0 HA GLN A 12 -8.677 9.542 -7.099 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -6.276 11.210 -6.131 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -6.438 10.570 -7.754 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -8.406 12.018 -8.171 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -8.367 12.597 -6.518 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -6.455 12.468 -9.588 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -5.508 13.924 -9.268 1.00 1.00 H new ATOM 190 N CYS A 13 -6.817 8.277 -4.809 1.00 1.00 N ATOM 191 CA CYS A 13 -6.076 7.108 -4.388 1.00 1.00 C ATOM 192 C CYS A 13 -6.993 5.905 -4.196 1.00 1.00 C ATOM 193 O CYS A 13 -6.559 4.753 -4.268 1.00 1.00 O ATOM 194 CB CYS A 13 -5.328 7.477 -3.086 1.00 1.00 C ATOM 195 SG CYS A 13 -4.143 6.286 -2.390 1.00 1.00 S ATOM 0 H CYS A 13 -7.140 8.851 -4.030 1.00 1.00 H new ATOM 0 HA CYS A 13 -5.361 6.815 -5.157 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -4.792 8.409 -3.266 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -6.077 7.682 -2.322 1.00 1.00 H new ATOM 200 N LEU A 14 -8.315 6.130 -3.985 1.00 1.00 N ATOM 201 CA LEU A 14 -9.250 5.083 -3.668 1.00 1.00 C ATOM 202 C LEU A 14 -9.440 4.062 -4.794 1.00 1.00 C ATOM 203 O LEU A 14 -9.277 2.874 -4.511 1.00 1.00 O ATOM 204 CB LEU A 14 -10.593 5.717 -3.216 1.00 1.00 C ATOM 205 CG LEU A 14 -10.844 5.696 -1.696 1.00 1.00 C ATOM 206 CD1 LEU A 14 -10.060 6.803 -0.976 1.00 1.00 C ATOM 207 CD2 LEU A 14 -12.343 5.829 -1.394 1.00 1.00 C ATOM 0 H LEU A 14 -8.739 7.056 -4.036 1.00 1.00 H new ATOM 0 HA LEU A 14 -8.830 4.502 -2.847 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -10.623 6.751 -3.560 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -11.410 5.192 -3.711 1.00 1.00 H new ATOM 0 HG LEU A 14 -10.490 4.736 -1.321 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -10.263 6.756 0.094 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.993 6.665 -1.149 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -10.367 7.775 -1.361 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.500 5.812 -0.315 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -12.714 6.770 -1.800 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -12.881 4.999 -1.852 1.00 1.00 H new ATOM 219 N PRO A 15 -9.753 4.391 -6.055 1.00 1.00 N ATOM 220 CA PRO A 15 -9.865 3.383 -7.101 1.00 1.00 C ATOM 221 C PRO A 15 -8.568 2.641 -7.435 1.00 1.00 C ATOM 222 O PRO A 15 -8.748 1.450 -7.678 1.00 1.00 O ATOM 223 CB PRO A 15 -10.513 4.113 -8.291 1.00 1.00 C ATOM 224 CG PRO A 15 -10.259 5.609 -8.062 1.00 1.00 C ATOM 225 CD PRO A 15 -10.029 5.744 -6.554 1.00 1.00 C ATOM 0 HA PRO A 15 -10.481 2.548 -6.766 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -10.077 3.784 -9.234 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -11.581 3.902 -8.343 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -9.392 5.953 -8.626 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -11.109 6.208 -8.387 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -9.193 6.413 -6.347 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -10.905 6.168 -6.064 1.00 1.00 H new ATOM 233 N PRO A 16 -7.307 3.101 -7.472 1.00 1.00 N ATOM 234 CA PRO A 16 -6.173 2.194 -7.623 1.00 1.00 C ATOM 235 C PRO A 16 -5.947 1.349 -6.399 1.00 1.00 C ATOM 236 O PRO A 16 -5.642 0.164 -6.512 1.00 1.00 O ATOM 237 CB PRO A 16 -4.967 3.108 -7.883 1.00 1.00 C ATOM 238 CG PRO A 16 -5.396 4.488 -7.385 1.00 1.00 C ATOM 239 CD PRO A 16 -6.901 4.497 -7.637 1.00 1.00 C ATOM 0 HA PRO A 16 -6.345 1.485 -8.433 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -4.083 2.755 -7.352 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.713 3.133 -8.943 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -5.164 4.625 -6.329 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -4.892 5.287 -7.929 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -7.418 5.147 -6.931 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.134 4.863 -8.637 1.00 1.00 H new ATOM 247 N CYS A 17 -6.097 1.914 -5.199 1.00 1.00 N ATOM 248 CA CYS A 17 -5.920 1.190 -3.964 1.00 1.00 C ATOM 249 C CYS A 17 -6.832 -0.013 -3.881 1.00 1.00 C ATOM 250 O CYS A 17 -6.438 -1.153 -3.640 1.00 1.00 O ATOM 251 CB CYS A 17 -6.170 2.127 -2.761 1.00 1.00 C ATOM 252 SG CYS A 17 -5.859 1.408 -1.127 1.00 1.00 S ATOM 0 H CYS A 17 -6.347 2.894 -5.069 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.892 0.828 -3.938 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -5.541 3.010 -2.875 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -7.205 2.466 -2.797 1.00 1.00 H new ATOM 257 N LYS A 18 -8.113 0.219 -4.153 1.00 1.00 N ATOM 258 CA LYS A 18 -9.130 -0.793 -4.252 1.00 1.00 C ATOM 259 C LYS A 18 -9.058 -1.690 -5.479 1.00 1.00 C ATOM 260 O LYS A 18 -9.765 -2.693 -5.572 1.00 1.00 O ATOM 261 CB LYS A 18 -10.517 -0.107 -4.094 1.00 1.00 C ATOM 262 CG LYS A 18 -11.763 -1.006 -3.983 1.00 1.00 C ATOM 263 CD LYS A 18 -11.806 -1.881 -2.717 1.00 1.00 C ATOM 264 CE LYS A 18 -12.109 -3.360 -2.987 1.00 1.00 C ATOM 265 NZ LYS A 18 -10.933 -4.005 -3.598 1.00 1.00 N ATOM 0 H LYS A 18 -8.473 1.159 -4.315 1.00 1.00 H new ATOM 0 HA LYS A 18 -8.955 -1.501 -3.442 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -10.479 0.521 -3.204 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -10.660 0.557 -4.947 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -12.653 -0.377 -4.005 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -11.808 -1.653 -4.859 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -10.847 -1.806 -2.204 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -12.562 -1.484 -2.040 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -12.369 -3.864 -2.056 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -12.970 -3.450 -3.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -11.222 -4.894 -4.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -10.520 -3.370 -4.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -10.226 -4.207 -2.862 1.00 1.00 H new ATOM 279 N ALA A 19 -8.196 -1.376 -6.445 1.00 1.00 N ATOM 280 CA ALA A 19 -8.045 -2.159 -7.654 1.00 1.00 C ATOM 281 C ALA A 19 -7.366 -3.476 -7.364 1.00 1.00 C ATOM 282 O ALA A 19 -7.918 -4.570 -7.443 1.00 1.00 O ATOM 283 CB ALA A 19 -7.201 -1.383 -8.685 1.00 1.00 C ATOM 0 H ALA A 19 -7.581 -0.563 -6.403 1.00 1.00 H new ATOM 0 HA ALA A 19 -9.041 -2.350 -8.054 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -7.093 -1.980 -9.590 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -7.697 -0.443 -8.927 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -6.216 -1.177 -8.267 1.00 1.00 H new ATOM 289 N GLN A 20 -6.092 -3.314 -7.017 1.00 1.00 N ATOM 290 CA GLN A 20 -5.090 -4.315 -6.907 1.00 1.00 C ATOM 291 C GLN A 20 -4.774 -4.591 -5.462 1.00 1.00 C ATOM 292 O GLN A 20 -4.604 -5.726 -5.028 1.00 1.00 O ATOM 293 CB GLN A 20 -3.775 -3.868 -7.600 1.00 1.00 C ATOM 294 CG GLN A 20 -3.925 -3.487 -9.089 1.00 1.00 C ATOM 295 CD GLN A 20 -2.610 -2.929 -9.633 1.00 1.00 C ATOM 296 OE1 GLN A 20 -2.420 -1.721 -9.758 1.00 1.00 O ATOM 297 NE2 GLN A 20 -1.657 -3.828 -9.961 1.00 1.00 N ATOM 0 H GLN A 20 -5.725 -2.390 -6.790 1.00 1.00 H new ATOM 0 HA GLN A 20 -5.480 -5.211 -7.390 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -3.369 -3.013 -7.060 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -3.045 -4.673 -7.517 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -4.222 -4.362 -9.666 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -4.716 -2.746 -9.203 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -1.837 -4.826 -9.849 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -0.757 -3.509 -10.321 1.00 1.00 H new ATOM 306 N PHE A 21 -4.630 -3.507 -4.685 1.00 1.00 N ATOM 307 CA PHE A 21 -3.847 -3.517 -3.487 1.00 1.00 C ATOM 308 C PHE A 21 -4.624 -3.944 -2.266 1.00 1.00 C ATOM 309 O PHE A 21 -4.054 -4.458 -1.308 1.00 1.00 O ATOM 310 CB PHE A 21 -3.278 -2.102 -3.302 1.00 1.00 C ATOM 311 CG PHE A 21 -2.210 -1.835 -4.324 1.00 1.00 C ATOM 312 CD1 PHE A 21 -0.953 -2.448 -4.205 1.00 1.00 C ATOM 313 CD2 PHE A 21 -2.474 -1.032 -5.444 1.00 1.00 C ATOM 314 CE1 PHE A 21 0.009 -2.281 -5.202 1.00 1.00 C ATOM 315 CE2 PHE A 21 -1.516 -0.880 -6.452 1.00 1.00 C ATOM 316 CZ PHE A 21 -0.267 -1.502 -6.330 1.00 1.00 C ATOM 0 H PHE A 21 -5.063 -2.607 -4.889 1.00 1.00 H new ATOM 0 HA PHE A 21 -3.054 -4.257 -3.593 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -4.076 -1.366 -3.398 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -2.866 -1.996 -2.298 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -0.729 -3.052 -3.338 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -3.425 -0.527 -5.529 1.00 1.00 H new ATOM 0 HE1 PHE A 21 0.973 -2.757 -5.102 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -1.739 -0.283 -7.324 1.00 1.00 H new ATOM 0 HZ PHE A 21 0.478 -1.381 -7.102 1.00 1.00 H new ATOM 326 N GLY A 22 -5.961 -3.786 -2.237 1.00 1.00 N ATOM 327 CA GLY A 22 -6.642 -4.478 -1.165 1.00 1.00 C ATOM 328 C GLY A 22 -8.132 -4.481 -1.160 1.00 1.00 C ATOM 329 O GLY A 22 -8.823 -3.767 -1.885 1.00 1.00 O ATOM 0 H GLY A 22 -6.532 -3.239 -2.881 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -6.308 -5.515 -1.174 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -6.307 -4.043 -0.223 1.00 1.00 H new ATOM 333 N ILE A 23 -8.692 -5.354 -0.305 1.00 1.00 N ATOM 334 CA ILE A 23 -10.113 -5.451 -0.035 1.00 1.00 C ATOM 335 C ILE A 23 -10.624 -4.281 0.758 1.00 1.00 C ATOM 336 O ILE A 23 -11.475 -3.519 0.314 1.00 1.00 O ATOM 337 CB ILE A 23 -10.517 -6.786 0.548 1.00 1.00 C ATOM 338 CG1 ILE A 23 -10.000 -7.961 -0.314 1.00 1.00 C ATOM 339 CG2 ILE A 23 -12.054 -6.852 0.722 1.00 1.00 C ATOM 340 CD1 ILE A 23 -10.232 -9.340 0.310 1.00 1.00 C ATOM 0 H ILE A 23 -8.140 -6.027 0.227 1.00 1.00 H new ATOM 0 HA ILE A 23 -10.610 -5.401 -1.004 1.00 1.00 H new ATOM 0 HB ILE A 23 -10.054 -6.881 1.530 1.00 1.00 H new ATOM 0 HG12 ILE A 23 -10.489 -7.927 -1.287 1.00 1.00 H new ATOM 0 HG13 ILE A 23 -8.932 -7.828 -0.489 1.00 1.00 H new ATOM 0 HG21 ILE A 23 -12.331 -7.819 1.143 1.00 1.00 H new ATOM 0 HG22 ILE A 23 -12.379 -6.057 1.394 1.00 1.00 H new ATOM 0 HG23 ILE A 23 -12.536 -6.727 -0.248 1.00 1.00 H new ATOM 0 HD11 ILE A 23 -9.842 -10.111 -0.355 1.00 1.00 H new ATOM 0 HD12 ILE A 23 -9.719 -9.396 1.270 1.00 1.00 H new ATOM 0 HD13 ILE A 23 -11.300 -9.497 0.459 1.00 1.00 H new ATOM 352 N ARG A 24 -10.076 -4.120 1.969 1.00 1.00 N ATOM 353 CA ARG A 24 -10.519 -3.150 2.945 1.00 1.00 C ATOM 354 C ARG A 24 -9.527 -1.994 3.006 1.00 1.00 C ATOM 355 O ARG A 24 -9.555 -1.158 3.903 1.00 1.00 O ATOM 356 CB ARG A 24 -10.601 -3.883 4.311 1.00 1.00 C ATOM 357 CG ARG A 24 -11.510 -3.207 5.360 1.00 1.00 C ATOM 358 CD ARG A 24 -10.846 -2.972 6.725 1.00 1.00 C ATOM 359 NE ARG A 24 -9.849 -1.909 6.447 1.00 1.00 N ATOM 360 CZ ARG A 24 -8.627 -1.791 6.970 1.00 1.00 C ATOM 361 NH1 ARG A 24 -8.210 -2.481 8.013 1.00 1.00 N ATOM 362 NH2 ARG A 24 -7.781 -0.973 6.357 1.00 1.00 N ATOM 0 H ARG A 24 -9.290 -4.683 2.294 1.00 1.00 H new ATOM 0 HA ARG A 24 -11.492 -2.736 2.682 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -10.960 -4.898 4.141 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -9.595 -3.966 4.723 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -11.848 -2.249 4.965 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -12.397 -3.823 5.504 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -11.571 -2.656 7.475 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -10.372 -3.878 7.102 1.00 1.00 H new ATOM 0 HE ARG A 24 -10.129 -1.188 5.782 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -8.834 -3.149 8.465 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -7.263 -2.347 8.368 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -8.076 -0.466 5.522 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -6.836 -0.851 6.721 1.00 1.00 H new ATOM 376 N ALA A 25 -8.590 -1.956 2.046 1.00 1.00 N ATOM 377 CA ALA A 25 -7.430 -1.067 2.082 1.00 1.00 C ATOM 378 C ALA A 25 -7.756 0.424 2.148 1.00 1.00 C ATOM 379 O ALA A 25 -8.757 0.893 1.610 1.00 1.00 O ATOM 380 CB ALA A 25 -6.474 -1.363 0.908 1.00 1.00 C ATOM 0 H ALA A 25 -8.621 -2.549 1.217 1.00 1.00 H new ATOM 0 HA ALA A 25 -6.937 -1.291 3.028 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -5.619 -0.689 0.956 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -6.127 -2.394 0.972 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -7.000 -1.215 -0.035 1.00 1.00 H new ATOM 386 N GLY A 26 -6.907 1.207 2.851 1.00 1.00 N ATOM 387 CA GLY A 26 -7.117 2.630 3.064 1.00 1.00 C ATOM 388 C GLY A 26 -6.252 3.362 2.110 1.00 1.00 C ATOM 389 O GLY A 26 -5.376 2.786 1.491 1.00 1.00 O ATOM 0 H GLY A 26 -6.054 0.852 3.284 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -8.164 2.889 2.907 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -6.871 2.903 4.090 1.00 1.00 H new ATOM 393 N ALA A 27 -6.446 4.658 1.929 1.00 1.00 N ATOM 394 CA ALA A 27 -5.896 5.277 0.757 1.00 1.00 C ATOM 395 C ALA A 27 -5.774 6.765 0.978 1.00 1.00 C ATOM 396 O ALA A 27 -6.734 7.441 1.351 1.00 1.00 O ATOM 397 CB ALA A 27 -6.862 5.004 -0.405 1.00 1.00 C ATOM 0 H ALA A 27 -6.961 5.274 2.558 1.00 1.00 H new ATOM 0 HA ALA A 27 -4.906 4.877 0.538 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -6.475 5.461 -1.315 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -6.959 3.928 -0.552 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -7.839 5.428 -0.173 1.00 1.00 H new ATOM 403 N LYS A 28 -4.579 7.337 0.758 1.00 1.00 N ATOM 404 CA LYS A 28 -4.452 8.778 0.868 1.00 1.00 C ATOM 405 C LYS A 28 -3.367 9.298 -0.019 1.00 1.00 C ATOM 406 O LYS A 28 -2.626 8.562 -0.658 1.00 1.00 O ATOM 407 CB LYS A 28 -4.335 9.303 2.339 1.00 1.00 C ATOM 408 CG LYS A 28 -3.211 8.705 3.206 1.00 1.00 C ATOM 409 CD LYS A 28 -1.789 9.266 2.995 1.00 1.00 C ATOM 410 CE LYS A 28 -1.340 10.359 3.976 1.00 1.00 C ATOM 411 NZ LYS A 28 -2.022 11.638 3.689 1.00 1.00 N ATOM 0 H LYS A 28 -3.724 6.837 0.513 1.00 1.00 H new ATOM 0 HA LYS A 28 -5.396 9.189 0.510 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -4.197 10.384 2.303 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -5.285 9.119 2.841 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.479 8.847 4.253 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -3.181 7.630 3.027 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.082 8.439 3.056 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.725 9.666 1.983 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -1.557 10.048 4.998 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -0.261 10.494 3.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -1.584 12.398 4.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -1.935 11.858 2.676 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.028 11.559 3.941 1.00 1.00 H new ATOM 425 N CYS A 29 -3.263 10.630 -0.092 1.00 1.00 N ATOM 426 CA CYS A 29 -2.287 11.315 -0.912 1.00 1.00 C ATOM 427 C CYS A 29 -1.128 11.801 -0.051 1.00 1.00 C ATOM 428 O CYS A 29 -1.327 12.245 1.077 1.00 1.00 O ATOM 429 CB CYS A 29 -2.933 12.507 -1.663 1.00 1.00 C ATOM 430 SG CYS A 29 -1.938 13.042 -3.082 1.00 1.00 S ATOM 0 H CYS A 29 -3.870 11.262 0.430 1.00 1.00 H new ATOM 0 HA CYS A 29 -1.909 10.611 -1.653 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -3.928 12.222 -2.006 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -3.060 13.342 -0.974 1.00 1.00 H new ATOM 435 N MET A 30 0.104 11.687 -0.558 1.00 1.00 N ATOM 436 CA MET A 30 1.299 12.271 0.012 1.00 1.00 C ATOM 437 C MET A 30 2.394 12.241 -1.028 1.00 1.00 C ATOM 438 O MET A 30 2.437 11.325 -1.847 1.00 1.00 O ATOM 439 CB MET A 30 1.760 11.440 1.220 1.00 1.00 C ATOM 440 CG MET A 30 2.859 12.054 2.100 1.00 1.00 C ATOM 441 SD MET A 30 3.190 11.025 3.557 1.00 1.00 S ATOM 442 CE MET A 30 4.489 12.101 4.229 1.00 1.00 C ATOM 0 H MET A 30 0.292 11.162 -1.412 1.00 1.00 H new ATOM 0 HA MET A 30 1.088 13.293 0.326 1.00 1.00 H new ATOM 0 HB2 MET A 30 0.892 11.242 1.848 1.00 1.00 H new ATOM 0 HB3 MET A 30 2.115 10.476 0.855 1.00 1.00 H new ATOM 0 HG2 MET A 30 3.773 12.168 1.517 1.00 1.00 H new ATOM 0 HG3 MET A 30 2.558 13.052 2.418 1.00 1.00 H new ATOM 0 HE1 MET A 30 4.870 11.675 5.157 1.00 1.00 H new ATOM 0 HE2 MET A 30 5.302 12.184 3.508 1.00 1.00 H new ATOM 0 HE3 MET A 30 4.076 13.090 4.426 1.00 1.00 H new ATOM 452 N ASN A 31 3.293 13.248 -1.061 1.00 1.00 N ATOM 453 CA ASN A 31 4.335 13.397 -2.087 1.00 1.00 C ATOM 454 C ASN A 31 3.699 13.597 -3.469 1.00 1.00 C ATOM 455 O ASN A 31 4.227 13.226 -4.509 1.00 1.00 O ATOM 456 CB ASN A 31 5.377 12.227 -1.996 1.00 1.00 C ATOM 457 CG ASN A 31 6.515 12.244 -3.023 1.00 1.00 C ATOM 458 OD1 ASN A 31 6.637 11.313 -3.823 1.00 1.00 O ATOM 459 ND2 ASN A 31 7.373 13.283 -2.993 1.00 1.00 N ATOM 0 H ASN A 31 3.311 13.990 -0.361 1.00 1.00 H new ATOM 0 HA ASN A 31 4.915 14.302 -1.904 1.00 1.00 H new ATOM 0 HB2 ASN A 31 5.817 12.239 -0.999 1.00 1.00 H new ATOM 0 HB3 ASN A 31 4.840 11.284 -2.097 1.00 1.00 H new ATOM 0 HD21 ASN A 31 8.155 13.317 -3.646 1.00 1.00 H new ATOM 0 HD22 ASN A 31 7.240 14.035 -2.317 1.00 1.00 H new ATOM 466 N GLY A 32 2.483 14.176 -3.471 1.00 1.00 N ATOM 467 CA GLY A 32 1.645 14.325 -4.659 1.00 1.00 C ATOM 468 C GLY A 32 1.146 13.034 -5.261 1.00 1.00 C ATOM 469 O GLY A 32 0.698 13.021 -6.401 1.00 1.00 O ATOM 0 H GLY A 32 2.055 14.558 -2.628 1.00 1.00 H new ATOM 0 HA2 GLY A 32 0.785 14.943 -4.402 1.00 1.00 H new ATOM 0 HA3 GLY A 32 2.211 14.866 -5.417 1.00 1.00 H new ATOM 473 N LYS A 33 1.206 11.893 -4.541 1.00 1.00 N ATOM 474 CA LYS A 33 0.830 10.628 -5.114 1.00 1.00 C ATOM 475 C LYS A 33 0.277 9.694 -4.051 1.00 1.00 C ATOM 476 O LYS A 33 0.428 9.881 -2.842 1.00 1.00 O ATOM 477 CB LYS A 33 2.007 10.001 -5.909 1.00 1.00 C ATOM 478 CG LYS A 33 3.264 9.719 -5.072 1.00 1.00 C ATOM 479 CD LYS A 33 4.535 9.463 -5.900 1.00 1.00 C ATOM 480 CE LYS A 33 5.036 10.685 -6.689 1.00 1.00 C ATOM 481 NZ LYS A 33 6.281 10.337 -7.393 1.00 1.00 N ATOM 0 H LYS A 33 1.512 11.845 -3.569 1.00 1.00 H new ATOM 0 HA LYS A 33 0.027 10.799 -5.831 1.00 1.00 H new ATOM 0 HB2 LYS A 33 1.668 9.067 -6.358 1.00 1.00 H new ATOM 0 HB3 LYS A 33 2.273 10.670 -6.727 1.00 1.00 H new ATOM 0 HG2 LYS A 33 3.442 10.566 -4.409 1.00 1.00 H new ATOM 0 HG3 LYS A 33 3.077 8.852 -4.439 1.00 1.00 H new ATOM 0 HD2 LYS A 33 5.328 9.127 -5.232 1.00 1.00 H new ATOM 0 HD3 LYS A 33 4.341 8.649 -6.599 1.00 1.00 H new ATOM 0 HE2 LYS A 33 4.278 11.005 -7.404 1.00 1.00 H new ATOM 0 HE3 LYS A 33 5.210 11.522 -6.013 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.379 10.932 -8.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.093 10.496 -6.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 6.252 9.336 -7.675 1.00 1.00 H new ATOM 495 N CYS A 34 -0.418 8.655 -4.492 1.00 1.00 N ATOM 496 CA CYS A 34 -1.189 7.740 -3.663 1.00 1.00 C ATOM 497 C CYS A 34 -0.372 6.916 -2.686 1.00 1.00 C ATOM 498 O CYS A 34 0.816 6.651 -2.840 1.00 1.00 O ATOM 499 CB CYS A 34 -2.054 6.835 -4.577 1.00 1.00 C ATOM 500 SG CYS A 34 -3.120 5.503 -3.933 1.00 1.00 S ATOM 0 H CYS A 34 -0.462 8.416 -5.483 1.00 1.00 H new ATOM 0 HA CYS A 34 -1.821 8.358 -3.025 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -2.701 7.501 -5.148 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -1.371 6.369 -5.287 1.00 1.00 H new ATOM 505 N LYS A 35 -1.038 6.549 -1.592 1.00 1.00 N ATOM 506 CA LYS A 35 -0.521 5.826 -0.474 1.00 1.00 C ATOM 507 C LYS A 35 -1.648 4.923 -0.061 1.00 1.00 C ATOM 508 O LYS A 35 -2.486 5.275 0.753 1.00 1.00 O ATOM 509 CB LYS A 35 -0.111 6.733 0.710 1.00 1.00 C ATOM 510 CG LYS A 35 0.956 7.787 0.396 1.00 1.00 C ATOM 511 CD LYS A 35 2.325 7.172 0.061 1.00 1.00 C ATOM 512 CE LYS A 35 3.292 8.104 -0.667 1.00 1.00 C ATOM 513 NZ LYS A 35 2.719 8.472 -1.972 1.00 1.00 N ATOM 0 H LYS A 35 -2.026 6.775 -1.474 1.00 1.00 H new ATOM 0 HA LYS A 35 0.391 5.297 -0.751 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -1.001 7.242 1.080 1.00 1.00 H new ATOM 0 HB3 LYS A 35 0.255 6.101 1.519 1.00 1.00 H new ATOM 0 HG2 LYS A 35 0.622 8.396 -0.444 1.00 1.00 H new ATOM 0 HG3 LYS A 35 1.063 8.454 1.251 1.00 1.00 H new ATOM 0 HD2 LYS A 35 2.793 6.839 0.987 1.00 1.00 H new ATOM 0 HD3 LYS A 35 2.167 6.285 -0.553 1.00 1.00 H new ATOM 0 HE2 LYS A 35 3.473 8.998 -0.070 1.00 1.00 H new ATOM 0 HE3 LYS A 35 4.255 7.613 -0.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 3.485 8.596 -2.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 2.079 7.719 -2.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 2.188 9.362 -1.880 1.00 1.00 H new ATOM 527 N CYS A 36 -1.719 3.758 -0.706 1.00 1.00 N ATOM 528 CA CYS A 36 -2.633 2.689 -0.354 1.00 1.00 C ATOM 529 C CYS A 36 -2.108 1.866 0.810 1.00 1.00 C ATOM 530 O CYS A 36 -0.965 1.408 0.801 1.00 1.00 O ATOM 531 CB CYS A 36 -2.877 1.783 -1.570 1.00 1.00 C ATOM 532 SG CYS A 36 -4.092 0.455 -1.321 1.00 1.00 S ATOM 0 H CYS A 36 -1.126 3.534 -1.505 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.574 3.143 -0.045 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -3.207 2.403 -2.403 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -1.928 1.334 -1.863 1.00 1.00 H new ATOM 537 N TYR A 37 -2.929 1.675 1.849 1.00 1.00 N ATOM 538 CA TYR A 37 -2.611 0.976 3.067 1.00 1.00 C ATOM 539 C TYR A 37 -3.399 -0.319 3.117 1.00 1.00 C ATOM 540 O TYR A 37 -4.559 -0.295 3.536 1.00 1.00 O ATOM 541 CB TYR A 37 -3.041 1.850 4.275 1.00 1.00 C ATOM 542 CG TYR A 37 -2.135 3.043 4.445 1.00 1.00 C ATOM 543 CD1 TYR A 37 -2.336 4.207 3.692 1.00 1.00 C ATOM 544 CD2 TYR A 37 -1.086 3.013 5.380 1.00 1.00 C ATOM 545 CE1 TYR A 37 -1.483 5.306 3.840 1.00 1.00 C ATOM 546 CE2 TYR A 37 -0.247 4.127 5.551 1.00 1.00 C ATOM 547 CZ TYR A 37 -0.444 5.273 4.771 1.00 1.00 C ATOM 548 OH TYR A 37 0.375 6.402 4.929 1.00 1.00 O ATOM 0 H TYR A 37 -3.885 2.031 1.847 1.00 1.00 H new ATOM 0 HA TYR A 37 -1.541 0.771 3.103 1.00 1.00 H new ATOM 0 HB2 TYR A 37 -4.067 2.189 4.133 1.00 1.00 H new ATOM 0 HB3 TYR A 37 -3.027 1.249 5.184 1.00 1.00 H new ATOM 0 HD1 TYR A 37 -3.156 4.256 2.991 1.00 1.00 H new ATOM 0 HD2 TYR A 37 -0.923 2.125 5.973 1.00 1.00 H new ATOM 0 HE1 TYR A 37 -1.630 6.185 3.230 1.00 1.00 H new ATOM 0 HE2 TYR A 37 0.548 4.099 6.282 1.00 1.00 H new ATOM 0 HH TYR A 37 1.051 6.222 5.615 1.00 1.00 H new ATOM 558 N PRO A 38 -2.880 -1.476 2.716 1.00 1.00 N ATOM 559 CA PRO A 38 -3.505 -2.765 3.003 1.00 1.00 C ATOM 560 C PRO A 38 -3.228 -3.217 4.432 1.00 1.00 C ATOM 561 O PRO A 38 -2.531 -4.202 4.652 1.00 1.00 O ATOM 562 CB PRO A 38 -2.865 -3.686 1.950 1.00 1.00 C ATOM 563 CG PRO A 38 -1.456 -3.116 1.762 1.00 1.00 C ATOM 564 CD PRO A 38 -1.676 -1.611 1.895 1.00 1.00 C ATOM 0 HA PRO A 38 -4.593 -2.751 2.943 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -2.834 -4.721 2.291 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -3.427 -3.675 1.016 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -0.764 -3.491 2.516 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -1.040 -3.379 0.789 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -0.821 -1.127 2.366 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -1.809 -1.144 0.919 1.00 1.00 H new