USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.088) USER MOD Single : A 1 ASN N :NH3+ -129:sc=-0.00877 (180deg=-0.148) USER MOD Single : A 5 SER OG : rot 180:sc= -1.45! USER MOD Single : A 9 ASN : amide:sc=-0.00826 K(o=-0.0083,f=-1.6!) USER MOD Single : A 14 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= 0.0481 F(o=-1.1,f=0.048) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.522 (180deg=-2.31!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 11.519 -0.628 -8.326 1.00 0.00 N ATOM 2 CA ASN A 1 12.333 -1.868 -8.504 1.00 0.00 C ATOM 3 C ASN A 1 13.472 -1.901 -7.482 1.00 0.00 C ATOM 4 O ASN A 1 14.631 -1.997 -7.833 1.00 0.00 O ATOM 5 CB ASN A 1 12.889 -1.786 -9.926 1.00 0.00 C ATOM 6 CG ASN A 1 11.743 -1.949 -10.927 1.00 0.00 C ATOM 7 OD1 ASN A 1 11.637 -1.194 -11.874 1.00 0.00 O ATOM 8 ND2 ASN A 1 10.876 -2.909 -10.757 1.00 0.00 N ATOM 0 H1 ASN A 1 10.512 -0.880 -8.259 1.00 0.00 H new ATOM 0 H2 ASN A 1 11.813 -0.142 -7.455 1.00 0.00 H new ATOM 0 H3 ASN A 1 11.664 0.002 -9.140 1.00 0.00 H new ATOM 0 HA ASN A 1 11.743 -2.772 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 1 13.388 -0.829 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 1 13.637 -2.564 -10.082 1.00 0.00 H new ATOM 0 HD21 ASN A 1 10.109 -3.026 -11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 1 10.965 -3.542 -9.962 1.00 0.00 H new ATOM 17 N GLU A 2 13.150 -1.823 -6.221 1.00 0.00 N ATOM 18 CA GLU A 2 14.211 -1.853 -5.175 1.00 0.00 C ATOM 19 C GLU A 2 14.848 -3.247 -5.070 1.00 0.00 C ATOM 20 O GLU A 2 16.046 -3.359 -4.905 1.00 0.00 O ATOM 21 CB GLU A 2 13.499 -1.492 -3.870 1.00 0.00 C ATOM 22 CG GLU A 2 14.527 -1.415 -2.739 1.00 0.00 C ATOM 23 CD GLU A 2 13.817 -1.092 -1.423 1.00 0.00 C ATOM 24 OE1 GLU A 2 12.606 -0.951 -1.446 1.00 0.00 O ATOM 25 OE2 GLU A 2 14.497 -0.990 -0.416 1.00 0.00 O ATOM 0 H GLU A 2 12.196 -1.740 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 2 15.021 -1.162 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.984 -0.537 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.740 -2.239 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.060 -2.362 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.270 -0.649 -2.961 1.00 0.00 H new ATOM 32 N PRO A 3 14.033 -4.272 -5.158 1.00 0.00 N ATOM 33 CA PRO A 3 14.559 -5.654 -5.055 1.00 0.00 C ATOM 34 C PRO A 3 15.243 -6.076 -6.361 1.00 0.00 C ATOM 35 O PRO A 3 15.808 -7.147 -6.456 1.00 0.00 O ATOM 36 CB PRO A 3 13.314 -6.494 -4.790 1.00 0.00 C ATOM 37 CG PRO A 3 12.174 -5.705 -5.354 1.00 0.00 C ATOM 38 CD PRO A 3 12.577 -4.250 -5.357 1.00 0.00 C ATOM 0 HA PRO A 3 15.314 -5.765 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.390 -7.471 -5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.179 -6.671 -3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.941 -6.039 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.275 -5.851 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.312 -3.767 -6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.076 -3.698 -4.562 1.00 0.00 H new ATOM 46 N VAL A 4 15.206 -5.241 -7.362 1.00 0.00 N ATOM 47 CA VAL A 4 15.866 -5.597 -8.654 1.00 0.00 C ATOM 48 C VAL A 4 16.647 -4.398 -9.193 1.00 0.00 C ATOM 49 O VAL A 4 16.559 -3.301 -8.677 1.00 0.00 O ATOM 50 CB VAL A 4 14.727 -5.981 -9.609 1.00 0.00 C ATOM 51 CG1 VAL A 4 13.533 -5.046 -9.400 1.00 0.00 C ATOM 52 CG2 VAL A 4 15.202 -5.878 -11.061 1.00 0.00 C ATOM 0 H VAL A 4 14.749 -4.329 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 4 16.578 -6.414 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 4 14.426 -7.007 -9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.729 -5.325 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.182 -5.128 -8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.837 -4.018 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.387 -6.152 -11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.515 -4.855 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.043 -6.553 -11.217 1.00 0.00 H new ATOM 62 N SER A 5 17.414 -4.603 -10.226 1.00 0.00 N ATOM 63 CA SER A 5 18.209 -3.481 -10.804 1.00 0.00 C ATOM 64 C SER A 5 19.086 -2.843 -9.721 1.00 0.00 C ATOM 65 O SER A 5 19.038 -1.650 -9.493 1.00 0.00 O ATOM 66 CB SER A 5 17.173 -2.478 -11.310 1.00 0.00 C ATOM 67 OG SER A 5 16.323 -3.113 -12.254 1.00 0.00 O ATOM 0 H SER A 5 17.526 -5.501 -10.697 1.00 0.00 H new ATOM 0 HA SER A 5 18.875 -3.815 -11.600 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.586 -2.093 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.671 -1.624 -11.769 1.00 0.00 H new ATOM 0 HG SER A 5 15.657 -2.471 -12.578 1.00 0.00 H new ATOM 73 N CYS A 6 19.884 -3.628 -9.051 1.00 0.00 N ATOM 74 CA CYS A 6 20.760 -3.064 -7.984 1.00 0.00 C ATOM 75 C CYS A 6 21.766 -2.081 -8.588 1.00 0.00 C ATOM 76 O CYS A 6 22.056 -1.047 -8.020 1.00 0.00 O ATOM 77 CB CYS A 6 21.482 -4.270 -7.385 1.00 0.00 C ATOM 78 SG CYS A 6 22.655 -3.710 -6.127 1.00 0.00 S ATOM 0 H CYS A 6 19.968 -4.634 -9.195 1.00 0.00 H new ATOM 0 HA CYS A 6 20.193 -2.514 -7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 6 20.760 -4.957 -6.944 1.00 0.00 H new ATOM 0 HB3 CYS A 6 22.006 -4.818 -8.167 1.00 0.00 H new ATOM 83 N ILE A 7 22.298 -2.395 -9.737 1.00 0.00 N ATOM 84 CA ILE A 7 23.284 -1.478 -10.376 1.00 0.00 C ATOM 85 C ILE A 7 22.672 -0.087 -10.561 1.00 0.00 C ATOM 86 O ILE A 7 23.363 0.911 -10.553 1.00 0.00 O ATOM 87 CB ILE A 7 23.593 -2.113 -11.733 1.00 0.00 C ATOM 88 CG1 ILE A 7 22.332 -2.107 -12.599 1.00 0.00 C ATOM 89 CG2 ILE A 7 24.063 -3.553 -11.527 1.00 0.00 C ATOM 90 CD1 ILE A 7 22.698 -2.490 -14.034 1.00 0.00 C ATOM 0 H ILE A 7 22.093 -3.246 -10.261 1.00 0.00 H new ATOM 0 HA ILE A 7 24.182 -1.351 -9.771 1.00 0.00 H new ATOM 0 HB ILE A 7 24.377 -1.542 -12.230 1.00 0.00 H new ATOM 0 HG12 ILE A 7 21.600 -2.809 -12.199 1.00 0.00 H new ATOM 0 HG13 ILE A 7 21.870 -1.120 -12.581 1.00 0.00 H new ATOM 0 HG21 ILE A 7 24.283 -4.006 -12.494 1.00 0.00 H new ATOM 0 HG22 ILE A 7 24.962 -3.558 -10.911 1.00 0.00 H new ATOM 0 HG23 ILE A 7 23.279 -4.124 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 7 21.800 -2.486 -14.652 1.00 0.00 H new ATOM 0 HD12 ILE A 7 23.415 -1.771 -14.431 1.00 0.00 H new ATOM 0 HD13 ILE A 7 23.140 -3.486 -14.043 1.00 0.00 H new ATOM 102 N ARG A 8 21.379 -0.014 -10.724 1.00 0.00 N ATOM 103 CA ARG A 8 20.724 1.314 -10.907 1.00 0.00 C ATOM 104 C ARG A 8 20.909 2.173 -9.653 1.00 0.00 C ATOM 105 O ARG A 8 21.180 3.355 -9.731 1.00 0.00 O ATOM 106 CB ARG A 8 19.245 0.997 -11.132 1.00 0.00 C ATOM 107 CG ARG A 8 18.490 2.290 -11.445 1.00 0.00 C ATOM 108 CD ARG A 8 16.987 2.010 -11.487 1.00 0.00 C ATOM 109 NE ARG A 8 16.366 3.318 -11.841 1.00 0.00 N ATOM 110 CZ ARG A 8 15.737 4.012 -10.931 1.00 0.00 C ATOM 111 NH1 ARG A 8 16.358 4.372 -9.840 1.00 0.00 N ATOM 112 NH2 ARG A 8 14.488 4.344 -11.111 1.00 0.00 N ATOM 0 H ARG A 8 20.748 -0.815 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 8 21.150 1.875 -11.738 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.134 0.290 -11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.824 0.523 -10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.709 3.043 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.822 2.694 -12.401 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.748 1.245 -12.226 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.625 1.648 -10.525 1.00 0.00 H new ATOM 0 HE ARG A 8 16.432 3.672 -12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.334 4.111 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.867 4.914 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.003 4.061 -11.963 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.997 4.886 -10.400 1.00 0.00 H new ATOM 126 N ASN A 9 20.766 1.586 -8.498 1.00 0.00 N ATOM 127 CA ASN A 9 20.933 2.365 -7.236 1.00 0.00 C ATOM 128 C ASN A 9 22.385 2.831 -7.091 1.00 0.00 C ATOM 129 O ASN A 9 22.667 3.829 -6.458 1.00 0.00 O ATOM 130 CB ASN A 9 20.568 1.389 -6.116 1.00 0.00 C ATOM 131 CG ASN A 9 19.069 1.086 -6.170 1.00 0.00 C ATOM 132 OD1 ASN A 9 18.311 1.820 -6.772 1.00 0.00 O ATOM 133 ND2 ASN A 9 18.606 0.028 -5.561 1.00 0.00 N ATOM 0 H ASN A 9 20.540 0.599 -8.371 1.00 0.00 H new ATOM 0 HA ASN A 9 20.309 3.259 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 9 21.140 0.467 -6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 9 20.829 1.816 -5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.608 -0.182 -5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 9 19.242 -0.589 -5.055 1.00 0.00 H new ATOM 140 N GLY A 10 23.307 2.116 -7.674 1.00 0.00 N ATOM 141 CA GLY A 10 24.739 2.518 -7.572 1.00 0.00 C ATOM 142 C GLY A 10 25.472 1.573 -6.618 1.00 0.00 C ATOM 143 O GLY A 10 26.554 1.866 -6.151 1.00 0.00 O ATOM 0 H GLY A 10 23.131 1.271 -8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.206 2.491 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.814 3.544 -7.212 1.00 0.00 H new ATOM 147 N GLY A 11 24.893 0.440 -6.323 1.00 0.00 N ATOM 148 CA GLY A 11 25.561 -0.519 -5.398 1.00 0.00 C ATOM 149 C GLY A 11 26.328 -1.565 -6.209 1.00 0.00 C ATOM 150 O GLY A 11 26.387 -1.505 -7.421 1.00 0.00 O ATOM 0 H GLY A 11 23.987 0.138 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 11 26.243 0.014 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.819 -1.007 -4.766 1.00 0.00 H new ATOM 154 N ILE A 12 26.915 -2.526 -5.549 1.00 0.00 N ATOM 155 CA ILE A 12 27.674 -3.578 -6.282 1.00 0.00 C ATOM 156 C ILE A 12 27.064 -4.952 -6.005 1.00 0.00 C ATOM 157 O ILE A 12 26.490 -5.187 -4.960 1.00 0.00 O ATOM 158 CB ILE A 12 29.099 -3.502 -5.731 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.085 -3.797 -4.230 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.664 -2.100 -5.970 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.481 -4.233 -3.782 1.00 0.00 C ATOM 0 H ILE A 12 26.902 -2.628 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 12 27.650 -3.429 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 12 29.723 -4.238 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 12 28.775 -2.910 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.360 -4.580 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.679 -2.045 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.676 -1.890 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.039 -1.365 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 12 30.471 -4.443 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.774 -5.131 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.195 -3.436 -3.988 1.00 0.00 H new ATOM 173 N CYS A 13 27.178 -5.863 -6.932 1.00 0.00 N ATOM 174 CA CYS A 13 26.595 -7.219 -6.712 1.00 0.00 C ATOM 175 C CYS A 13 27.697 -8.205 -6.323 1.00 0.00 C ATOM 176 O CYS A 13 28.847 -8.043 -6.678 1.00 0.00 O ATOM 177 CB CYS A 13 25.959 -7.638 -8.047 1.00 0.00 C ATOM 178 SG CYS A 13 25.298 -6.194 -8.929 1.00 0.00 S ATOM 0 H CYS A 13 27.647 -5.730 -7.828 1.00 0.00 H new ATOM 0 HA CYS A 13 25.859 -7.210 -5.908 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.702 -8.140 -8.667 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.159 -8.356 -7.864 1.00 0.00 H new ATOM 183 N GLN A 14 27.349 -9.232 -5.599 1.00 0.00 N ATOM 184 CA GLN A 14 28.367 -10.243 -5.186 1.00 0.00 C ATOM 185 C GLN A 14 27.688 -11.591 -4.935 1.00 0.00 C ATOM 186 O GLN A 14 26.516 -11.657 -4.624 1.00 0.00 O ATOM 187 CB GLN A 14 28.977 -9.700 -3.895 1.00 0.00 C ATOM 188 CG GLN A 14 30.024 -10.688 -3.372 1.00 0.00 C ATOM 189 CD GLN A 14 31.327 -10.523 -4.158 1.00 0.00 C ATOM 190 OE1 GLN A 14 31.628 -9.450 -4.639 1.00 0.00 O ATOM 191 NE2 GLN A 14 32.116 -11.552 -4.307 1.00 0.00 N ATOM 0 H GLN A 14 26.400 -9.417 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 14 29.126 -10.402 -5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.437 -8.729 -4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 14 28.198 -9.549 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 14 30.204 -10.515 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 14 29.656 -11.709 -3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 14 31.861 -12.453 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 14 32.987 -11.455 -4.828 1.00 0.00 H new ATOM 200 N TYR A 15 28.413 -12.665 -5.072 1.00 0.00 N ATOM 201 CA TYR A 15 27.808 -14.011 -4.849 1.00 0.00 C ATOM 202 C TYR A 15 27.160 -14.092 -3.465 1.00 0.00 C ATOM 203 O TYR A 15 26.153 -14.744 -3.276 1.00 0.00 O ATOM 204 CB TYR A 15 28.973 -14.993 -4.955 1.00 0.00 C ATOM 205 CG TYR A 15 28.449 -16.407 -4.871 1.00 0.00 C ATOM 206 CD1 TYR A 15 27.657 -16.922 -5.904 1.00 0.00 C ATOM 207 CD2 TYR A 15 28.755 -17.202 -3.760 1.00 0.00 C ATOM 208 CE1 TYR A 15 27.170 -18.233 -5.826 1.00 0.00 C ATOM 209 CE2 TYR A 15 28.268 -18.512 -3.682 1.00 0.00 C ATOM 210 CZ TYR A 15 27.476 -19.028 -4.714 1.00 0.00 C ATOM 211 OH TYR A 15 26.996 -20.319 -4.637 1.00 0.00 O ATOM 0 H TYR A 15 29.400 -12.671 -5.329 1.00 0.00 H new ATOM 0 HA TYR A 15 27.022 -14.228 -5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.502 -14.845 -5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 15 29.690 -14.811 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 15 27.421 -16.309 -6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 15 29.367 -16.805 -2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 15 26.559 -18.631 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 15 28.504 -19.125 -2.825 1.00 0.00 H new ATOM 0 HH TYR A 15 27.301 -20.732 -3.803 1.00 0.00 H new ATOM 221 N ARG A 16 27.732 -13.438 -2.494 1.00 0.00 N ATOM 222 CA ARG A 16 27.152 -13.480 -1.121 1.00 0.00 C ATOM 223 C ARG A 16 27.595 -12.250 -0.321 1.00 0.00 C ATOM 224 O ARG A 16 28.523 -11.560 -0.691 1.00 0.00 O ATOM 225 CB ARG A 16 27.714 -14.760 -0.498 1.00 0.00 C ATOM 226 CG ARG A 16 26.909 -15.125 0.752 1.00 0.00 C ATOM 227 CD ARG A 16 25.506 -15.584 0.345 1.00 0.00 C ATOM 228 NE ARG A 16 25.692 -16.963 -0.186 1.00 0.00 N ATOM 229 CZ ARG A 16 24.696 -17.580 -0.763 1.00 0.00 C ATOM 230 NH1 ARG A 16 24.534 -17.491 -2.054 1.00 0.00 N ATOM 231 NH2 ARG A 16 23.861 -18.283 -0.047 1.00 0.00 N ATOM 0 H ARG A 16 28.577 -12.875 -2.591 1.00 0.00 H new ATOM 0 HA ARG A 16 26.062 -13.474 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 16 27.672 -15.576 -1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 16 28.763 -14.619 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.415 -15.917 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 16 26.842 -14.264 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.826 -15.577 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.078 -14.924 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 16 26.597 -17.425 -0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 16 25.185 -16.940 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 16 23.756 -17.973 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.986 -18.350 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.083 -18.765 -0.498 1.00 0.00 H new ATOM 245 N CYS A 17 26.938 -11.973 0.771 1.00 0.00 N ATOM 246 CA CYS A 17 27.321 -10.788 1.594 1.00 0.00 C ATOM 247 C CYS A 17 27.395 -11.175 3.074 1.00 0.00 C ATOM 248 O CYS A 17 26.470 -11.741 3.623 1.00 0.00 O ATOM 249 CB CYS A 17 26.205 -9.769 1.361 1.00 0.00 C ATOM 250 SG CYS A 17 26.307 -9.140 -0.334 1.00 0.00 S ATOM 0 H CYS A 17 26.152 -12.515 1.130 1.00 0.00 H new ATOM 0 HA CYS A 17 28.299 -10.392 1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.233 -10.233 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 17 26.294 -8.947 2.071 1.00 0.00 H new ATOM 255 N ILE A 18 28.488 -10.878 3.723 1.00 0.00 N ATOM 256 CA ILE A 18 28.617 -11.233 5.167 1.00 0.00 C ATOM 257 C ILE A 18 27.509 -10.560 5.981 1.00 0.00 C ATOM 258 O ILE A 18 26.891 -9.610 5.540 1.00 0.00 O ATOM 259 CB ILE A 18 29.990 -10.707 5.587 1.00 0.00 C ATOM 260 CG1 ILE A 18 30.013 -9.182 5.478 1.00 0.00 C ATOM 261 CG2 ILE A 18 31.064 -11.299 4.672 1.00 0.00 C ATOM 262 CD1 ILE A 18 31.331 -8.651 6.045 1.00 0.00 C ATOM 0 H ILE A 18 29.296 -10.406 3.318 1.00 0.00 H new ATOM 0 HA ILE A 18 28.525 -12.306 5.336 1.00 0.00 H new ATOM 0 HB ILE A 18 30.188 -10.998 6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 18 29.904 -8.879 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 18 29.172 -8.755 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 18 32.043 -10.925 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 18 31.051 -12.386 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 18 30.864 -11.009 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.349 -7.564 5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 18 31.420 -8.942 7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 18 32.165 -9.068 5.480 1.00 0.00 H new ATOM 274 N GLY A 19 27.252 -11.046 7.164 1.00 0.00 N ATOM 275 CA GLY A 19 26.183 -10.436 8.004 1.00 0.00 C ATOM 276 C GLY A 19 26.439 -8.935 8.145 1.00 0.00 C ATOM 277 O GLY A 19 25.520 -8.141 8.191 1.00 0.00 O ATOM 0 H GLY A 19 27.736 -11.839 7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.207 -10.608 7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.165 -10.907 8.987 1.00 0.00 H new ATOM 281 N LEU A 20 27.679 -8.540 8.217 1.00 0.00 N ATOM 282 CA LEU A 20 27.994 -7.090 8.358 1.00 0.00 C ATOM 283 C LEU A 20 27.409 -6.299 7.184 1.00 0.00 C ATOM 284 O LEU A 20 27.082 -5.136 7.311 1.00 0.00 O ATOM 285 CB LEU A 20 29.521 -7.017 8.351 1.00 0.00 C ATOM 286 CG LEU A 20 30.052 -7.341 9.748 1.00 0.00 C ATOM 287 CD1 LEU A 20 29.501 -6.322 10.747 1.00 0.00 C ATOM 288 CD2 LEU A 20 29.603 -8.746 10.153 1.00 0.00 C ATOM 0 H LEU A 20 28.489 -9.159 8.184 1.00 0.00 H new ATOM 0 HA LEU A 20 27.569 -6.662 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 20 29.926 -7.721 7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 20 29.847 -6.022 8.048 1.00 0.00 H new ATOM 0 HG LEU A 20 31.141 -7.297 9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.877 -6.550 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.820 -5.320 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 20 28.412 -6.369 10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.982 -8.976 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 28.514 -8.792 10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.993 -9.472 9.440 1.00 0.00 H new ATOM 300 N ARG A 21 27.275 -6.917 6.042 1.00 0.00 N ATOM 301 CA ARG A 21 26.712 -6.191 4.866 1.00 0.00 C ATOM 302 C ARG A 21 25.285 -6.661 4.580 1.00 0.00 C ATOM 303 O ARG A 21 25.016 -7.842 4.487 1.00 0.00 O ATOM 304 CB ARG A 21 27.633 -6.544 3.700 1.00 0.00 C ATOM 305 CG ARG A 21 27.201 -5.759 2.459 1.00 0.00 C ATOM 306 CD ARG A 21 27.807 -4.355 2.504 1.00 0.00 C ATOM 307 NE ARG A 21 29.261 -4.557 2.239 1.00 0.00 N ATOM 308 CZ ARG A 21 30.102 -3.578 2.435 1.00 0.00 C ATOM 309 NH1 ARG A 21 30.194 -3.021 3.612 1.00 0.00 N ATOM 310 NH2 ARG A 21 30.855 -3.157 1.455 1.00 0.00 N ATOM 0 H ARG A 21 27.530 -7.890 5.872 1.00 0.00 H new ATOM 0 HA ARG A 21 26.662 -5.116 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 21 28.666 -6.307 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.591 -7.615 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 21 27.526 -6.278 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 21 26.114 -5.696 2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 21 27.355 -3.705 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 21 27.644 -3.885 3.474 1.00 0.00 H new ATOM 0 HE ARG A 21 29.598 -5.460 1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 21 29.609 -3.351 4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 21 30.851 -2.256 3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 21 30.786 -3.593 0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.512 -2.392 1.609 1.00 0.00 H new ATOM 324 N HIS A 22 24.371 -5.742 4.432 1.00 0.00 N ATOM 325 CA HIS A 22 22.962 -6.132 4.143 1.00 0.00 C ATOM 326 C HIS A 22 22.639 -5.842 2.677 1.00 0.00 C ATOM 327 O HIS A 22 23.238 -4.983 2.060 1.00 0.00 O ATOM 328 CB HIS A 22 22.110 -5.259 5.067 1.00 0.00 C ATOM 329 CG HIS A 22 22.211 -3.821 4.638 1.00 0.00 C ATOM 330 ND1 HIS A 22 23.195 -2.879 4.811 1.00 0.00 N flip ATOM 331 CD2 HIS A 22 21.202 -3.189 3.930 1.00 0.00 C flip ATOM 332 CE1 HIS A 22 22.804 -1.680 4.222 1.00 0.00 C flip ATOM 333 NE2 HIS A 22 21.596 -1.921 3.706 1.00 0.00 N flip ATOM 0 H HIS A 22 24.539 -4.738 4.499 1.00 0.00 H new ATOM 0 HA HIS A 22 22.778 -7.193 4.310 1.00 0.00 H new ATOM 0 HB2 HIS A 22 21.071 -5.586 5.036 1.00 0.00 H new ATOM 0 HB3 HIS A 22 22.447 -5.366 6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 22 20.269 -3.633 3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 22 23.358 -0.754 4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 22 21.040 -1.229 3.204 1.00 0.00 H new ATOM 341 N LYS A 23 21.705 -6.552 2.108 1.00 0.00 N ATOM 342 CA LYS A 23 21.361 -6.307 0.679 1.00 0.00 C ATOM 343 C LYS A 23 19.902 -5.869 0.545 1.00 0.00 C ATOM 344 O LYS A 23 18.995 -6.543 0.993 1.00 0.00 O ATOM 345 CB LYS A 23 21.586 -7.650 -0.021 1.00 0.00 C ATOM 346 CG LYS A 23 20.726 -8.731 0.640 1.00 0.00 C ATOM 347 CD LYS A 23 19.854 -9.408 -0.420 1.00 0.00 C ATOM 348 CE LYS A 23 18.889 -10.382 0.259 1.00 0.00 C ATOM 349 NZ LYS A 23 18.256 -11.136 -0.859 1.00 0.00 N ATOM 0 H LYS A 23 21.168 -7.287 2.567 1.00 0.00 H new ATOM 0 HA LYS A 23 21.967 -5.513 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 23 21.332 -7.566 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 23 22.639 -7.927 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 23 21.362 -9.469 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 23 20.099 -8.289 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.296 -8.658 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 23 20.480 -9.940 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.416 -11.052 0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.143 -9.851 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.580 -11.825 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.756 -10.473 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.990 -11.636 -1.400 1.00 0.00 H new ATOM 363 N ILE A 24 19.667 -4.743 -0.072 1.00 0.00 N ATOM 364 CA ILE A 24 18.265 -4.267 -0.240 1.00 0.00 C ATOM 365 C ILE A 24 17.515 -5.191 -1.202 1.00 0.00 C ATOM 366 O ILE A 24 16.335 -5.438 -1.054 1.00 0.00 O ATOM 367 CB ILE A 24 18.385 -2.863 -0.836 1.00 0.00 C ATOM 368 CG1 ILE A 24 19.188 -1.967 0.110 1.00 0.00 C ATOM 369 CG2 ILE A 24 16.986 -2.275 -1.030 1.00 0.00 C ATOM 370 CD1 ILE A 24 19.677 -0.732 -0.651 1.00 0.00 C ATOM 0 H ILE A 24 20.384 -4.134 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 24 17.715 -4.261 0.701 1.00 0.00 H new ATOM 0 HB ILE A 24 18.896 -2.920 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.569 -1.665 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.037 -2.517 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.068 -1.274 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.415 -2.911 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.478 -2.220 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.249 -0.093 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.310 -1.044 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.820 -0.179 -1.036 1.00 0.00 H new ATOM 382 N GLY A 25 18.199 -5.702 -2.188 1.00 0.00 N ATOM 383 CA GLY A 25 17.538 -6.611 -3.166 1.00 0.00 C ATOM 384 C GLY A 25 18.572 -7.582 -3.736 1.00 0.00 C ATOM 385 O GLY A 25 19.683 -7.679 -3.251 1.00 0.00 O ATOM 0 H GLY A 25 19.190 -5.529 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.734 -7.163 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.086 -6.031 -3.970 1.00 0.00 H new ATOM 389 N THR A 26 18.217 -8.305 -4.760 1.00 0.00 N ATOM 390 CA THR A 26 19.183 -9.270 -5.359 1.00 0.00 C ATOM 391 C THR A 26 19.611 -8.801 -6.752 1.00 0.00 C ATOM 392 O THR A 26 18.897 -8.969 -7.721 1.00 0.00 O ATOM 393 CB THR A 26 18.419 -10.591 -5.452 1.00 0.00 C ATOM 394 OG1 THR A 26 17.857 -10.899 -4.185 1.00 0.00 O ATOM 395 CG2 THR A 26 19.378 -11.705 -5.872 1.00 0.00 C ATOM 0 H THR A 26 17.302 -8.271 -5.209 1.00 0.00 H new ATOM 0 HA THR A 26 20.091 -9.364 -4.764 1.00 0.00 H new ATOM 0 HB THR A 26 17.623 -10.502 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.365 -11.745 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 26 18.834 -12.647 -5.939 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.810 -11.466 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 26 20.174 -11.797 -5.134 1.00 0.00 H new ATOM 403 N CYS A 27 20.775 -8.222 -6.860 1.00 0.00 N ATOM 404 CA CYS A 27 21.253 -7.751 -8.191 1.00 0.00 C ATOM 405 C CYS A 27 20.984 -8.823 -9.247 1.00 0.00 C ATOM 406 O CYS A 27 20.401 -8.567 -10.281 1.00 0.00 O ATOM 407 CB CYS A 27 22.754 -7.536 -8.010 1.00 0.00 C ATOM 408 SG CYS A 27 23.439 -6.754 -9.490 1.00 0.00 S ATOM 0 H CYS A 27 21.416 -8.055 -6.084 1.00 0.00 H new ATOM 0 HA CYS A 27 20.749 -6.843 -8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 27 22.939 -6.910 -7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.249 -8.490 -7.829 1.00 0.00 H new ATOM 413 N GLY A 28 21.401 -10.027 -8.982 1.00 0.00 N ATOM 414 CA GLY A 28 21.175 -11.138 -9.947 1.00 0.00 C ATOM 415 C GLY A 28 20.938 -12.426 -9.160 1.00 0.00 C ATOM 416 O GLY A 28 20.690 -12.393 -7.971 1.00 0.00 O ATOM 0 H GLY A 28 21.894 -10.293 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.316 -10.919 -10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.037 -11.249 -10.604 1.00 0.00 H new ATOM 420 N SER A 29 21.015 -13.562 -9.795 1.00 0.00 N ATOM 421 CA SER A 29 20.795 -14.828 -9.045 1.00 0.00 C ATOM 422 C SER A 29 22.113 -15.321 -8.450 1.00 0.00 C ATOM 423 O SER A 29 22.159 -15.713 -7.301 1.00 0.00 O ATOM 424 CB SER A 29 20.243 -15.827 -10.063 1.00 0.00 C ATOM 425 OG SER A 29 18.845 -15.630 -10.202 1.00 0.00 O ATOM 0 H SER A 29 21.218 -13.668 -10.789 1.00 0.00 H new ATOM 0 HA SER A 29 20.103 -14.695 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.738 -15.695 -11.025 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.448 -16.847 -9.737 1.00 0.00 H new ATOM 0 HG SER A 29 18.488 -16.268 -10.855 1.00 0.00 H new ATOM 431 N PRO A 30 23.153 -15.276 -9.240 1.00 0.00 N ATOM 432 CA PRO A 30 24.471 -15.713 -8.752 1.00 0.00 C ATOM 433 C PRO A 30 25.122 -14.599 -7.926 1.00 0.00 C ATOM 434 O PRO A 30 26.268 -14.692 -7.534 1.00 0.00 O ATOM 435 CB PRO A 30 25.257 -15.988 -10.029 1.00 0.00 C ATOM 436 CG PRO A 30 24.610 -15.148 -11.087 1.00 0.00 C ATOM 437 CD PRO A 30 23.205 -14.825 -10.635 1.00 0.00 C ATOM 0 HA PRO A 30 24.424 -16.586 -8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.308 -15.725 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.222 -17.045 -10.291 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.179 -14.232 -11.246 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.591 -15.681 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.998 -13.758 -10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.464 -15.340 -11.246 1.00 0.00 H new ATOM 445 N PHE A 31 24.393 -13.547 -7.649 1.00 0.00 N ATOM 446 CA PHE A 31 24.969 -12.434 -6.837 1.00 0.00 C ATOM 447 C PHE A 31 23.870 -11.751 -6.018 1.00 0.00 C ATOM 448 O PHE A 31 22.695 -11.993 -6.211 1.00 0.00 O ATOM 449 CB PHE A 31 25.550 -11.439 -7.846 1.00 0.00 C ATOM 450 CG PHE A 31 26.580 -12.113 -8.718 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.884 -12.303 -8.246 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.235 -12.535 -10.008 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.842 -12.918 -9.063 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.192 -13.150 -10.823 1.00 0.00 C ATOM 455 CZ PHE A 31 28.496 -13.340 -10.351 1.00 0.00 C ATOM 0 H PHE A 31 23.428 -13.412 -7.949 1.00 0.00 H new ATOM 0 HA PHE A 31 25.724 -12.799 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.751 -11.031 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 31 26.004 -10.600 -7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 31 28.152 -11.976 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.230 -12.386 -10.374 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.848 -13.066 -8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 31 26.924 -13.478 -11.817 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.235 -13.812 -10.981 1.00 0.00 H new ATOM 465 N LYS A 32 24.248 -10.886 -5.118 1.00 0.00 N ATOM 466 CA LYS A 32 23.235 -10.166 -4.293 1.00 0.00 C ATOM 467 C LYS A 32 23.545 -8.665 -4.297 1.00 0.00 C ATOM 468 O LYS A 32 24.655 -8.255 -4.573 1.00 0.00 O ATOM 469 CB LYS A 32 23.380 -10.740 -2.884 1.00 0.00 C ATOM 470 CG LYS A 32 22.916 -12.198 -2.875 1.00 0.00 C ATOM 471 CD LYS A 32 22.971 -12.735 -1.445 1.00 0.00 C ATOM 472 CE LYS A 32 22.611 -14.222 -1.440 1.00 0.00 C ATOM 473 NZ LYS A 32 22.595 -14.603 0.000 1.00 0.00 N ATOM 0 H LYS A 32 25.219 -10.645 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 32 22.221 -10.292 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.419 -10.676 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.789 -10.155 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.901 -12.271 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.551 -12.798 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.969 -12.591 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.279 -12.181 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.641 -14.396 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.342 -14.808 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.813 -15.616 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.307 -14.046 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.653 -14.414 0.399 1.00 0.00 H new ATOM 487 N CYS A 33 22.578 -7.841 -3.999 1.00 0.00 N ATOM 488 CA CYS A 33 22.834 -6.370 -3.995 1.00 0.00 C ATOM 489 C CYS A 33 23.421 -5.934 -2.650 1.00 0.00 C ATOM 490 O CYS A 33 22.777 -6.026 -1.625 1.00 0.00 O ATOM 491 CB CYS A 33 21.462 -5.727 -4.211 1.00 0.00 C ATOM 492 SG CYS A 33 21.658 -3.935 -4.385 1.00 0.00 S ATOM 0 H CYS A 33 21.626 -8.119 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 33 23.550 -6.077 -4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 33 20.991 -6.141 -5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.806 -5.952 -3.370 1.00 0.00 H new ATOM 497 N CYS A 34 24.634 -5.452 -2.644 1.00 0.00 N ATOM 498 CA CYS A 34 25.248 -5.006 -1.359 1.00 0.00 C ATOM 499 C CYS A 34 26.098 -3.755 -1.589 1.00 0.00 C ATOM 500 O CYS A 34 26.915 -3.701 -2.488 1.00 0.00 O ATOM 501 CB CYS A 34 26.123 -6.175 -0.902 1.00 0.00 C ATOM 502 SG CYS A 34 25.072 -7.540 -0.349 1.00 0.00 S ATOM 0 H CYS A 34 25.225 -5.348 -3.469 1.00 0.00 H new ATOM 0 HA CYS A 34 24.497 -4.749 -0.612 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.764 -6.504 -1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.779 -5.856 -0.092 1.00 0.00 H new ATOM 507 N LYS A 35 25.912 -2.745 -0.785 1.00 0.00 N ATOM 508 CA LYS A 35 26.706 -1.495 -0.960 1.00 0.00 C ATOM 509 C LYS A 35 28.143 -1.707 -0.474 1.00 0.00 C ATOM 510 O LYS A 35 28.927 -2.260 -1.227 1.00 0.00 O ATOM 511 CB LYS A 35 25.997 -0.451 -0.099 1.00 0.00 C ATOM 512 CG LYS A 35 24.706 -0.005 -0.787 1.00 0.00 C ATOM 513 CD LYS A 35 24.066 1.121 0.026 1.00 0.00 C ATOM 514 CE LYS A 35 22.737 1.528 -0.613 1.00 0.00 C ATOM 515 NZ LYS A 35 22.221 2.627 0.252 1.00 0.00 N ATOM 516 OXT LYS A 35 28.434 -1.310 0.643 1.00 0.00 O ATOM 0 H LYS A 35 25.244 -2.731 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 35 26.767 -1.188 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.772 -0.868 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.650 0.407 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 24.919 0.337 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 35 24.017 -0.845 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.902 0.793 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 35 24.738 1.979 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.878 1.866 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.041 0.690 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.309 2.962 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.091 2.274 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.902 3.413 0.259 1.00 0.00 H new TER 530 LYS A 35