USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 281 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 27 LYS NZ :NH3+ 145:sc= -0.172 (180deg=-1.02) USER MOD Set 1.2: A 36 TYR OH : rot -130:sc= -3.63! USER MOD Single : A 1 VAL N :NH3+ 130:sc= 0.0171 (180deg=-0.761) USER MOD Single : A 4 ASN : amide:sc= -2.38 K(o=-2.4,f=-0.72!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 0.456 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -0.116 (180deg=-0.737) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -136:sc= 0.963 (180deg=0.0916) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.703 9.076 -0.820 1.00 0.00 N ATOM 2 CA VAL A 1 -0.971 9.047 0.480 1.00 0.00 C ATOM 3 C VAL A 1 -0.075 7.809 0.556 1.00 0.00 C ATOM 4 O VAL A 1 -0.279 6.840 -0.148 1.00 0.00 O ATOM 5 CB VAL A 1 -2.063 8.986 1.545 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.741 7.616 1.503 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.441 9.207 2.927 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.716 9.233 -0.645 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.331 9.846 -1.411 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.573 8.169 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.323 9.914 0.609 1.00 0.00 H new ATOM 0 HB VAL A 1 -2.803 9.763 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.521 7.572 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.184 7.459 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.002 6.838 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.220 9.164 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.701 8.431 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.959 10.184 2.957 1.00 0.00 H new ATOM 19 N PHE A 2 0.921 7.837 1.399 1.00 0.00 N ATOM 20 CA PHE A 2 1.834 6.665 1.508 1.00 0.00 C ATOM 21 C PHE A 2 2.058 6.290 2.973 1.00 0.00 C ATOM 22 O PHE A 2 1.902 7.098 3.866 1.00 0.00 O ATOM 23 CB PHE A 2 3.149 7.127 0.883 1.00 0.00 C ATOM 24 CG PHE A 2 2.915 7.528 -0.549 1.00 0.00 C ATOM 25 CD1 PHE A 2 2.177 8.680 -0.842 1.00 0.00 C ATOM 26 CD2 PHE A 2 3.434 6.746 -1.585 1.00 0.00 C ATOM 27 CE1 PHE A 2 1.957 9.050 -2.171 1.00 0.00 C ATOM 28 CE2 PHE A 2 3.216 7.116 -2.915 1.00 0.00 C ATOM 29 CZ PHE A 2 2.477 8.268 -3.210 1.00 0.00 C ATOM 0 H PHE A 2 1.141 8.619 2.016 1.00 0.00 H new ATOM 0 HA PHE A 2 1.423 5.786 1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.554 7.968 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.887 6.326 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.777 9.283 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.003 5.857 -1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.386 9.939 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.618 6.513 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.308 8.553 -4.238 1.00 0.00 H new ATOM 39 N ILE A 3 2.445 5.071 3.220 1.00 0.00 N ATOM 40 CA ILE A 3 2.707 4.639 4.619 1.00 0.00 C ATOM 41 C ILE A 3 4.119 4.054 4.710 1.00 0.00 C ATOM 42 O ILE A 3 4.562 3.330 3.832 1.00 0.00 O ATOM 43 CB ILE A 3 1.643 3.583 4.933 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.456 2.663 3.727 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.317 4.275 5.250 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.188 1.236 4.211 1.00 0.00 C ATOM 0 H ILE A 3 2.592 4.353 2.510 1.00 0.00 H new ATOM 0 HA ILE A 3 2.653 5.462 5.331 1.00 0.00 H new ATOM 0 HB ILE A 3 1.965 2.994 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.625 3.013 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.346 2.684 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.441 3.524 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.445 4.929 6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.000 4.866 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.054 0.579 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.033 0.889 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.285 1.222 4.822 1.00 0.00 H new ATOM 58 N ASN A 4 4.833 4.387 5.753 1.00 0.00 N ATOM 59 CA ASN A 4 6.228 3.881 5.908 1.00 0.00 C ATOM 60 C ASN A 4 6.248 2.359 6.051 1.00 0.00 C ATOM 61 O ASN A 4 6.328 1.827 7.141 1.00 0.00 O ATOM 62 CB ASN A 4 6.748 4.546 7.182 1.00 0.00 C ATOM 63 CG ASN A 4 5.744 4.337 8.316 1.00 0.00 C ATOM 64 OD1 ASN A 4 5.724 3.297 8.942 1.00 0.00 O ATOM 65 ND2 ASN A 4 4.901 5.290 8.609 1.00 0.00 N ATOM 0 H ASN A 4 4.508 4.991 6.508 1.00 0.00 H new ATOM 0 HA ASN A 4 6.842 4.115 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.715 4.124 7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.902 5.611 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.227 5.160 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.917 6.164 8.084 1.00 0.00 H new ATOM 72 N ALA A 5 6.191 1.658 4.957 1.00 0.00 N ATOM 73 CA ALA A 5 6.224 0.171 5.019 1.00 0.00 C ATOM 74 C ALA A 5 6.996 -0.366 3.813 1.00 0.00 C ATOM 75 O ALA A 5 6.425 -0.637 2.777 1.00 0.00 O ATOM 76 CB ALA A 5 4.758 -0.266 4.967 1.00 0.00 C ATOM 0 H ALA A 5 6.123 2.051 4.018 1.00 0.00 H new ATOM 0 HA ALA A 5 6.717 -0.205 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.701 -1.354 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.222 0.158 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.306 0.086 4.040 1.00 0.00 H new ATOM 82 N LYS A 6 8.292 -0.502 3.945 1.00 0.00 N ATOM 83 CA LYS A 6 9.125 -1.005 2.810 1.00 0.00 C ATOM 84 C LYS A 6 8.371 -2.068 2.009 1.00 0.00 C ATOM 85 O LYS A 6 8.419 -3.243 2.315 1.00 0.00 O ATOM 86 CB LYS A 6 10.364 -1.612 3.471 1.00 0.00 C ATOM 87 CG LYS A 6 11.372 -0.504 3.793 1.00 0.00 C ATOM 88 CD LYS A 6 12.168 -0.154 2.535 1.00 0.00 C ATOM 89 CE LYS A 6 12.547 1.329 2.566 1.00 0.00 C ATOM 90 NZ LYS A 6 13.834 1.380 3.313 1.00 0.00 N ATOM 0 H LYS A 6 8.812 -0.285 4.795 1.00 0.00 H new ATOM 0 HA LYS A 6 9.378 -0.211 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.081 -2.136 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.818 -2.349 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.851 0.379 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.047 -0.831 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.066 -0.769 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.576 -0.370 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.659 1.729 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.779 1.923 3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.160 2.366 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.695 0.999 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.548 0.811 2.814 1.00 0.00 H new ATOM 104 N CYS A 7 7.672 -1.661 0.984 1.00 0.00 N ATOM 105 CA CYS A 7 6.911 -2.644 0.161 1.00 0.00 C ATOM 106 C CYS A 7 7.851 -3.374 -0.800 1.00 0.00 C ATOM 107 O CYS A 7 8.740 -2.784 -1.382 1.00 0.00 O ATOM 108 CB CYS A 7 5.890 -1.810 -0.616 1.00 0.00 C ATOM 109 SG CYS A 7 6.749 -0.533 -1.570 1.00 0.00 S ATOM 0 H CYS A 7 7.595 -0.690 0.681 1.00 0.00 H new ATOM 0 HA CYS A 7 6.431 -3.407 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.314 -2.451 -1.283 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.182 -1.349 0.073 1.00 0.00 H new ATOM 114 N ARG A 8 7.662 -4.654 -0.973 1.00 0.00 N ATOM 115 CA ARG A 8 8.547 -5.421 -1.898 1.00 0.00 C ATOM 116 C ARG A 8 7.799 -5.755 -3.193 1.00 0.00 C ATOM 117 O ARG A 8 8.392 -6.129 -4.185 1.00 0.00 O ATOM 118 CB ARG A 8 8.904 -6.701 -1.140 1.00 0.00 C ATOM 119 CG ARG A 8 10.162 -6.467 -0.299 1.00 0.00 C ATOM 120 CD ARG A 8 11.303 -7.340 -0.830 1.00 0.00 C ATOM 121 NE ARG A 8 12.372 -6.379 -1.219 1.00 0.00 N ATOM 122 CZ ARG A 8 12.496 -6.012 -2.466 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.636 -6.911 -3.401 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.481 -4.744 -2.777 1.00 0.00 N ATOM 0 H ARG A 8 6.934 -5.202 -0.515 1.00 0.00 H new ATOM 0 HA ARG A 8 9.435 -4.855 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.075 -6.998 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.071 -7.517 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.447 -5.416 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.963 -6.706 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.655 -8.036 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.980 -7.937 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 8 13.007 -6.008 -0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.649 -7.902 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.733 -6.623 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.372 -4.041 -2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.578 -4.457 -3.751 1.00 0.00 H new ATOM 138 N GLY A 9 6.499 -5.625 -3.193 1.00 0.00 N ATOM 139 CA GLY A 9 5.721 -5.939 -4.425 1.00 0.00 C ATOM 140 C GLY A 9 4.411 -5.150 -4.426 1.00 0.00 C ATOM 141 O GLY A 9 3.867 -4.825 -3.389 1.00 0.00 O ATOM 0 H GLY A 9 5.944 -5.316 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.307 -5.690 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.512 -7.008 -4.472 1.00 0.00 H new ATOM 145 N SER A 10 3.898 -4.840 -5.586 1.00 0.00 N ATOM 146 CA SER A 10 2.622 -4.074 -5.662 1.00 0.00 C ATOM 147 C SER A 10 1.480 -4.841 -4.977 1.00 0.00 C ATOM 148 O SER A 10 0.782 -4.286 -4.153 1.00 0.00 O ATOM 149 CB SER A 10 2.342 -3.915 -7.155 1.00 0.00 C ATOM 150 OG SER A 10 2.164 -2.536 -7.453 1.00 0.00 O ATOM 0 H SER A 10 4.309 -5.085 -6.487 1.00 0.00 H new ATOM 0 HA SER A 10 2.696 -3.113 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.169 -4.321 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.450 -4.477 -7.432 1.00 0.00 H new ATOM 0 HG SER A 10 1.986 -2.429 -8.411 1.00 0.00 H new ATOM 156 N PRO A 11 1.314 -6.092 -5.341 1.00 0.00 N ATOM 157 CA PRO A 11 0.234 -6.916 -4.747 1.00 0.00 C ATOM 158 C PRO A 11 0.421 -7.050 -3.233 1.00 0.00 C ATOM 159 O PRO A 11 -0.466 -7.488 -2.527 1.00 0.00 O ATOM 160 CB PRO A 11 0.405 -8.264 -5.454 1.00 0.00 C ATOM 161 CG PRO A 11 1.582 -8.157 -6.443 1.00 0.00 C ATOM 162 CD PRO A 11 2.183 -6.748 -6.348 1.00 0.00 C ATOM 0 HA PRO A 11 -0.761 -6.490 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.594 -9.052 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.510 -8.532 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.339 -8.906 -6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.240 -8.353 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.225 -6.773 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.155 -6.230 -7.307 1.00 0.00 H new ATOM 170 N GLU A 12 1.561 -6.666 -2.725 1.00 0.00 N ATOM 171 CA GLU A 12 1.788 -6.763 -1.255 1.00 0.00 C ATOM 172 C GLU A 12 1.130 -5.570 -0.553 1.00 0.00 C ATOM 173 O GLU A 12 0.612 -5.684 0.543 1.00 0.00 O ATOM 174 CB GLU A 12 3.307 -6.727 -1.081 1.00 0.00 C ATOM 175 CG GLU A 12 3.807 -8.107 -0.647 1.00 0.00 C ATOM 176 CD GLU A 12 4.914 -7.947 0.396 1.00 0.00 C ATOM 177 OE1 GLU A 12 4.798 -7.056 1.221 1.00 0.00 O ATOM 178 OE2 GLU A 12 5.860 -8.717 0.352 1.00 0.00 O ATOM 0 H GLU A 12 2.342 -6.291 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 12 1.359 -7.667 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.783 -6.434 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.580 -5.979 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.984 -8.689 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.183 -8.657 -1.510 1.00 0.00 H new ATOM 185 N CYS A 13 1.135 -4.427 -1.186 1.00 0.00 N ATOM 186 CA CYS A 13 0.499 -3.231 -0.564 1.00 0.00 C ATOM 187 C CYS A 13 -1.016 -3.434 -0.475 1.00 0.00 C ATOM 188 O CYS A 13 -1.674 -2.885 0.386 1.00 0.00 O ATOM 189 CB CYS A 13 0.835 -2.064 -1.497 1.00 0.00 C ATOM 190 SG CYS A 13 0.907 -0.527 -0.541 1.00 0.00 S ATOM 0 H CYS A 13 1.551 -4.271 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 13 0.858 -3.050 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.790 -2.243 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.082 -1.982 -2.280 1.00 0.00 H new ATOM 195 N LEU A 14 -1.578 -4.225 -1.354 1.00 0.00 N ATOM 196 CA LEU A 14 -3.051 -4.458 -1.302 1.00 0.00 C ATOM 197 C LEU A 14 -3.452 -4.929 0.104 1.00 0.00 C ATOM 198 O LEU A 14 -4.239 -4.278 0.762 1.00 0.00 O ATOM 199 CB LEU A 14 -3.334 -5.538 -2.349 1.00 0.00 C ATOM 200 CG LEU A 14 -4.186 -4.952 -3.477 1.00 0.00 C ATOM 201 CD1 LEU A 14 -5.600 -4.678 -2.963 1.00 0.00 C ATOM 202 CD2 LEU A 14 -3.561 -3.644 -3.964 1.00 0.00 C ATOM 0 H LEU A 14 -1.084 -4.716 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.623 -3.554 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.397 -5.923 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.852 -6.378 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.231 -5.664 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.205 -4.261 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.048 -5.609 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.556 -3.968 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.169 -3.227 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.514 -2.934 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.554 -3.837 -4.334 1.00 0.00 H new ATOM 214 N PRO A 15 -2.887 -6.034 0.538 1.00 0.00 N ATOM 215 CA PRO A 15 -3.193 -6.555 1.889 1.00 0.00 C ATOM 216 C PRO A 15 -2.823 -5.510 2.943 1.00 0.00 C ATOM 217 O PRO A 15 -3.544 -5.287 3.896 1.00 0.00 O ATOM 218 CB PRO A 15 -2.277 -7.779 1.996 1.00 0.00 C ATOM 219 CG PRO A 15 -1.470 -7.907 0.692 1.00 0.00 C ATOM 220 CD PRO A 15 -1.930 -6.815 -0.282 1.00 0.00 C ATOM 0 HA PRO A 15 -4.245 -6.793 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.605 -7.675 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.868 -8.679 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.404 -7.806 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.618 -8.893 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.097 -6.202 -0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.405 -7.236 -1.168 1.00 0.00 H new ATOM 228 N LYS A 16 -1.697 -4.867 2.775 1.00 0.00 N ATOM 229 CA LYS A 16 -1.271 -3.834 3.764 1.00 0.00 C ATOM 230 C LYS A 16 -2.231 -2.642 3.730 1.00 0.00 C ATOM 231 O LYS A 16 -2.724 -2.204 4.750 1.00 0.00 O ATOM 232 CB LYS A 16 0.128 -3.413 3.316 1.00 0.00 C ATOM 233 CG LYS A 16 1.177 -4.178 4.127 1.00 0.00 C ATOM 234 CD LYS A 16 1.031 -5.679 3.866 1.00 0.00 C ATOM 235 CE LYS A 16 2.345 -6.387 4.203 1.00 0.00 C ATOM 236 NZ LYS A 16 2.522 -7.398 3.124 1.00 0.00 N ATOM 0 H LYS A 16 -1.055 -5.013 1.996 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.274 -4.212 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.257 -3.615 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.258 -2.340 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.178 -3.846 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.053 -3.969 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.221 -6.087 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.769 -5.853 2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.178 -5.684 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.299 -6.860 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.891 -8.281 3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.606 -7.584 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.193 -7.037 2.417 1.00 0.00 H new ATOM 250 N CYS A 17 -2.504 -2.113 2.567 1.00 0.00 N ATOM 251 CA CYS A 17 -3.436 -0.952 2.481 1.00 0.00 C ATOM 252 C CYS A 17 -4.779 -1.317 3.115 1.00 0.00 C ATOM 253 O CYS A 17 -5.335 -0.566 3.891 1.00 0.00 O ATOM 254 CB CYS A 17 -3.606 -0.679 0.985 1.00 0.00 C ATOM 255 SG CYS A 17 -2.110 0.107 0.329 1.00 0.00 S ATOM 0 H CYS A 17 -2.124 -2.433 1.676 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.056 -0.077 3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.799 -1.612 0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.469 -0.034 0.820 1.00 0.00 H new ATOM 260 N LYS A 18 -5.300 -2.471 2.797 1.00 0.00 N ATOM 261 CA LYS A 18 -6.605 -2.884 3.391 1.00 0.00 C ATOM 262 C LYS A 18 -6.520 -2.822 4.916 1.00 0.00 C ATOM 263 O LYS A 18 -7.444 -2.403 5.585 1.00 0.00 O ATOM 264 CB LYS A 18 -6.821 -4.323 2.918 1.00 0.00 C ATOM 265 CG LYS A 18 -8.259 -4.752 3.220 1.00 0.00 C ATOM 266 CD LYS A 18 -8.260 -6.160 3.818 1.00 0.00 C ATOM 267 CE LYS A 18 -9.379 -6.276 4.857 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.770 -5.807 6.131 1.00 0.00 N ATOM 0 H LYS A 18 -4.881 -3.143 2.155 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.427 -2.235 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.625 -4.398 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.119 -4.990 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.720 -4.050 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.854 -4.733 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.403 -6.900 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.296 -6.370 4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.238 -5.665 4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.733 -7.303 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.476 -5.857 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.959 -6.412 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.449 -4.824 6.021 1.00 0.00 H new ATOM 282 N GLU A 19 -5.410 -3.228 5.472 1.00 0.00 N ATOM 283 CA GLU A 19 -5.258 -3.187 6.954 1.00 0.00 C ATOM 284 C GLU A 19 -4.935 -1.759 7.405 1.00 0.00 C ATOM 285 O GLU A 19 -5.003 -1.436 8.574 1.00 0.00 O ATOM 286 CB GLU A 19 -4.088 -4.124 7.259 1.00 0.00 C ATOM 287 CG GLU A 19 -4.229 -4.672 8.680 1.00 0.00 C ATOM 288 CD GLU A 19 -3.118 -5.690 8.944 1.00 0.00 C ATOM 289 OE1 GLU A 19 -2.734 -6.374 8.011 1.00 0.00 O ATOM 290 OE2 GLU A 19 -2.670 -5.767 10.076 1.00 0.00 O ATOM 0 H GLU A 19 -4.602 -3.586 4.963 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.166 -3.491 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.069 -4.945 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.144 -3.589 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.171 -3.858 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.205 -5.141 8.806 1.00 0.00 H new ATOM 297 N ALA A 20 -4.582 -0.904 6.484 1.00 0.00 N ATOM 298 CA ALA A 20 -4.254 0.504 6.854 1.00 0.00 C ATOM 299 C ALA A 20 -5.493 1.393 6.717 1.00 0.00 C ATOM 300 O ALA A 20 -5.535 2.496 7.224 1.00 0.00 O ATOM 301 CB ALA A 20 -3.176 0.932 5.858 1.00 0.00 C ATOM 0 H ALA A 20 -4.506 -1.119 5.490 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.916 0.591 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.879 1.960 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.310 0.278 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.570 0.863 4.844 1.00 0.00 H new ATOM 307 N ILE A 21 -6.500 0.924 6.035 1.00 0.00 N ATOM 308 CA ILE A 21 -7.735 1.747 5.867 1.00 0.00 C ATOM 309 C ILE A 21 -8.968 0.844 5.773 1.00 0.00 C ATOM 310 O ILE A 21 -10.023 1.165 6.283 1.00 0.00 O ATOM 311 CB ILE A 21 -7.543 2.530 4.560 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.748 1.690 3.552 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.786 3.826 4.850 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.742 2.394 2.192 1.00 0.00 C ATOM 0 H ILE A 21 -6.524 0.008 5.586 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.890 2.415 6.714 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.521 2.761 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.726 1.550 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.192 0.699 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.649 4.383 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.356 4.430 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.812 3.590 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.177 1.797 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.766 2.511 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.278 3.375 2.292 1.00 0.00 H new ATOM 326 N GLY A 22 -8.845 -0.283 5.128 1.00 0.00 N ATOM 327 CA GLY A 22 -10.013 -1.202 5.007 1.00 0.00 C ATOM 328 C GLY A 22 -10.341 -1.426 3.530 1.00 0.00 C ATOM 329 O GLY A 22 -11.148 -2.266 3.185 1.00 0.00 O ATOM 0 H GLY A 22 -7.988 -0.608 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.790 -2.154 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.876 -0.779 5.521 1.00 0.00 H new ATOM 333 N LYS A 23 -9.722 -0.683 2.654 1.00 0.00 N ATOM 334 CA LYS A 23 -10.003 -0.857 1.201 1.00 0.00 C ATOM 335 C LYS A 23 -8.813 -1.527 0.507 1.00 0.00 C ATOM 336 O LYS A 23 -7.691 -1.075 0.608 1.00 0.00 O ATOM 337 CB LYS A 23 -10.207 0.561 0.667 1.00 0.00 C ATOM 338 CG LYS A 23 -10.710 0.496 -0.776 1.00 0.00 C ATOM 339 CD LYS A 23 -12.114 1.101 -0.856 1.00 0.00 C ATOM 340 CE LYS A 23 -13.152 0.039 -0.484 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.427 0.262 0.962 1.00 0.00 N ATOM 0 H LYS A 23 -9.035 0.036 2.881 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.871 -1.490 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.924 1.096 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.270 1.116 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.031 1.039 -1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.728 -0.538 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.193 1.953 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.304 1.473 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.058 0.147 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.770 -0.966 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.354 -0.142 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.689 -0.199 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.431 1.283 1.161 1.00 0.00 H new ATOM 355 N ALA A 24 -9.051 -2.601 -0.196 1.00 0.00 N ATOM 356 CA ALA A 24 -7.929 -3.297 -0.891 1.00 0.00 C ATOM 357 C ALA A 24 -7.527 -2.530 -2.154 1.00 0.00 C ATOM 358 O ALA A 24 -7.816 -2.940 -3.260 1.00 0.00 O ATOM 359 CB ALA A 24 -8.477 -4.678 -1.254 1.00 0.00 C ATOM 0 H ALA A 24 -9.970 -3.026 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.039 -3.365 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.707 -5.251 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.772 -5.203 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.343 -4.566 -1.906 1.00 0.00 H new ATOM 365 N ALA A 25 -6.858 -1.420 -1.994 1.00 0.00 N ATOM 366 CA ALA A 25 -6.431 -0.626 -3.182 1.00 0.00 C ATOM 367 C ALA A 25 -5.128 0.116 -2.871 1.00 0.00 C ATOM 368 O ALA A 25 -5.104 1.041 -2.084 1.00 0.00 O ATOM 369 CB ALA A 25 -7.568 0.366 -3.429 1.00 0.00 C ATOM 0 H ALA A 25 -6.589 -1.029 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.245 -1.252 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.327 0.988 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.491 -0.180 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.697 0.998 -2.550 1.00 0.00 H new ATOM 375 N GLY A 26 -4.044 -0.285 -3.477 1.00 0.00 N ATOM 376 CA GLY A 26 -2.748 0.400 -3.206 1.00 0.00 C ATOM 377 C GLY A 26 -1.624 -0.285 -3.984 1.00 0.00 C ATOM 378 O GLY A 26 -1.809 -1.335 -4.567 1.00 0.00 O ATOM 0 H GLY A 26 -3.999 -1.054 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.814 1.449 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.530 0.376 -2.138 1.00 0.00 H new ATOM 382 N LYS A 27 -0.456 0.301 -3.995 1.00 0.00 N ATOM 383 CA LYS A 27 0.684 -0.313 -4.735 1.00 0.00 C ATOM 384 C LYS A 27 2.000 -0.047 -3.996 1.00 0.00 C ATOM 385 O LYS A 27 2.011 0.402 -2.868 1.00 0.00 O ATOM 386 CB LYS A 27 0.690 0.377 -6.100 1.00 0.00 C ATOM 387 CG LYS A 27 -0.519 -0.084 -6.916 1.00 0.00 C ATOM 388 CD LYS A 27 -1.550 1.045 -6.984 1.00 0.00 C ATOM 389 CE LYS A 27 -1.494 1.706 -8.364 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.763 3.151 -8.113 1.00 0.00 N ATOM 0 H LYS A 27 -0.243 1.179 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 27 0.582 -1.394 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.663 1.459 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.611 0.142 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.206 -0.366 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.963 -0.969 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.549 0.651 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.349 1.783 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.520 1.562 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.237 1.278 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.205 3.728 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.775 3.345 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.496 3.389 -7.136 1.00 0.00 H new ATOM 404 N CYS A 28 3.110 -0.322 -4.626 1.00 0.00 N ATOM 405 CA CYS A 28 4.429 -0.086 -3.965 1.00 0.00 C ATOM 406 C CYS A 28 5.262 0.898 -4.793 1.00 0.00 C ATOM 407 O CYS A 28 5.372 0.771 -5.995 1.00 0.00 O ATOM 408 CB CYS A 28 5.097 -1.461 -3.930 1.00 0.00 C ATOM 409 SG CYS A 28 6.831 -1.280 -3.445 1.00 0.00 S ATOM 0 H CYS A 28 3.162 -0.701 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 28 4.328 0.345 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.578 -2.111 -3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.030 -1.934 -4.910 1.00 0.00 H new ATOM 414 N MET A 29 5.846 1.883 -4.161 1.00 0.00 N ATOM 415 CA MET A 29 6.661 2.873 -4.926 1.00 0.00 C ATOM 416 C MET A 29 7.790 3.442 -4.058 1.00 0.00 C ATOM 417 O MET A 29 7.617 3.701 -2.884 1.00 0.00 O ATOM 418 CB MET A 29 5.676 3.979 -5.302 1.00 0.00 C ATOM 419 CG MET A 29 5.822 4.315 -6.786 1.00 0.00 C ATOM 420 SD MET A 29 4.719 5.687 -7.202 1.00 0.00 S ATOM 421 CE MET A 29 4.557 5.323 -8.967 1.00 0.00 C ATOM 0 H MET A 29 5.795 2.044 -3.155 1.00 0.00 H new ATOM 0 HA MET A 29 7.136 2.421 -5.797 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.656 3.658 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.863 4.867 -4.698 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.855 4.583 -7.010 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.581 3.443 -7.393 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.905 6.062 -9.432 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.540 5.359 -9.438 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.129 4.329 -9.096 1.00 0.00 H new ATOM 431 N ASN A 30 8.942 3.651 -4.637 1.00 0.00 N ATOM 432 CA ASN A 30 10.087 4.217 -3.863 1.00 0.00 C ATOM 433 C ASN A 30 10.295 3.439 -2.562 1.00 0.00 C ATOM 434 O ASN A 30 10.878 3.935 -1.619 1.00 0.00 O ATOM 435 CB ASN A 30 9.687 5.663 -3.566 1.00 0.00 C ATOM 436 CG ASN A 30 10.797 6.608 -4.031 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.919 6.520 -3.574 1.00 0.00 O ATOM 438 ND2 ASN A 30 10.529 7.519 -4.929 1.00 0.00 N ATOM 0 H ASN A 30 9.141 3.453 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 30 11.024 4.156 -4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.753 5.904 -4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.511 5.790 -2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.261 8.155 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.587 7.594 -5.314 1.00 0.00 H new ATOM 445 N GLY A 31 9.831 2.223 -2.505 1.00 0.00 N ATOM 446 CA GLY A 31 10.011 1.414 -1.265 1.00 0.00 C ATOM 447 C GLY A 31 8.929 1.778 -0.246 1.00 0.00 C ATOM 448 O GLY A 31 9.017 1.432 0.914 1.00 0.00 O ATOM 0 H GLY A 31 9.335 1.753 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.957 0.351 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.999 1.596 -0.841 1.00 0.00 H new ATOM 452 N LYS A 32 7.908 2.468 -0.669 1.00 0.00 N ATOM 453 CA LYS A 32 6.818 2.846 0.278 1.00 0.00 C ATOM 454 C LYS A 32 5.504 2.206 -0.170 1.00 0.00 C ATOM 455 O LYS A 32 5.356 1.814 -1.310 1.00 0.00 O ATOM 456 CB LYS A 32 6.731 4.370 0.200 1.00 0.00 C ATOM 457 CG LYS A 32 8.118 4.975 0.428 1.00 0.00 C ATOM 458 CD LYS A 32 7.972 6.415 0.923 1.00 0.00 C ATOM 459 CE LYS A 32 8.663 7.366 -0.058 1.00 0.00 C ATOM 460 NZ LYS A 32 9.193 8.474 0.785 1.00 0.00 N ATOM 0 H LYS A 32 7.779 2.788 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 32 7.012 2.508 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.346 4.673 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.033 4.743 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.669 4.382 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.692 4.954 -0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.917 6.674 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.412 6.516 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.465 6.862 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.963 7.739 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.681 9.166 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.406 8.940 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.862 8.090 1.482 1.00 0.00 H new ATOM 474 N CYS A 33 4.545 2.086 0.710 1.00 0.00 N ATOM 475 CA CYS A 33 3.257 1.455 0.297 1.00 0.00 C ATOM 476 C CYS A 33 2.233 2.534 -0.063 1.00 0.00 C ATOM 477 O CYS A 33 1.988 3.449 0.698 1.00 0.00 O ATOM 478 CB CYS A 33 2.798 0.660 1.516 1.00 0.00 C ATOM 479 SG CYS A 33 2.157 -0.950 0.989 1.00 0.00 S ATOM 0 H CYS A 33 4.595 2.392 1.682 1.00 0.00 H new ATOM 0 HA CYS A 33 3.369 0.820 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.630 0.523 2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.026 1.212 2.052 1.00 0.00 H new ATOM 484 N LYS A 34 1.635 2.433 -1.217 1.00 0.00 N ATOM 485 CA LYS A 34 0.628 3.453 -1.629 1.00 0.00 C ATOM 486 C LYS A 34 -0.785 2.956 -1.321 1.00 0.00 C ATOM 487 O LYS A 34 -1.233 1.967 -1.861 1.00 0.00 O ATOM 488 CB LYS A 34 0.819 3.606 -3.139 1.00 0.00 C ATOM 489 CG LYS A 34 1.773 4.766 -3.423 1.00 0.00 C ATOM 490 CD LYS A 34 2.115 4.788 -4.914 1.00 0.00 C ATOM 491 CE LYS A 34 0.889 5.235 -5.713 1.00 0.00 C ATOM 492 NZ LYS A 34 1.398 5.472 -7.092 1.00 0.00 N ATOM 0 H LYS A 34 1.799 1.688 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 34 0.757 4.397 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.218 2.683 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.142 3.787 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.313 5.710 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.682 4.657 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.948 5.466 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.433 3.798 -5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.111 4.471 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.451 6.140 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.000 6.359 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.436 5.539 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.114 4.683 -7.707 1.00 0.00 H new ATOM 506 N CYS A 35 -1.495 3.637 -0.464 1.00 0.00 N ATOM 507 CA CYS A 35 -2.883 3.199 -0.138 1.00 0.00 C ATOM 508 C CYS A 35 -3.869 4.335 -0.418 1.00 0.00 C ATOM 509 O CYS A 35 -3.633 5.474 -0.066 1.00 0.00 O ATOM 510 CB CYS A 35 -2.864 2.864 1.353 1.00 0.00 C ATOM 511 SG CYS A 35 -1.657 1.552 1.670 1.00 0.00 S ATOM 0 H CYS A 35 -1.176 4.475 0.023 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.195 2.345 -0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.610 3.752 1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.855 2.545 1.676 1.00 0.00 H new ATOM 516 N TYR A 36 -4.970 4.036 -1.050 1.00 0.00 N ATOM 517 CA TYR A 36 -5.968 5.102 -1.354 1.00 0.00 C ATOM 518 C TYR A 36 -7.210 4.936 -0.471 1.00 0.00 C ATOM 519 O TYR A 36 -7.539 3.837 -0.071 1.00 0.00 O ATOM 520 CB TYR A 36 -6.328 4.898 -2.826 1.00 0.00 C ATOM 521 CG TYR A 36 -5.093 5.073 -3.678 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.181 6.096 -3.389 1.00 0.00 C ATOM 523 CD2 TYR A 36 -4.859 4.213 -4.758 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.037 6.258 -4.180 1.00 0.00 C ATOM 525 CE2 TYR A 36 -3.715 4.375 -5.547 1.00 0.00 C ATOM 526 CZ TYR A 36 -2.804 5.398 -5.259 1.00 0.00 C ATOM 527 OH TYR A 36 -1.676 5.558 -6.038 1.00 0.00 O ATOM 0 H TYR A 36 -5.223 3.101 -1.369 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.575 6.101 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.746 3.902 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.094 5.613 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.360 6.760 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.562 3.424 -4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.334 7.047 -3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.535 3.710 -6.379 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.931 5.572 -6.984 1.00 0.00 H new ATOM 537 N PRO A 37 -7.866 6.037 -0.193 1.00 0.00 N ATOM 538 CA PRO A 37 -9.085 6.008 0.650 1.00 0.00 C ATOM 539 C PRO A 37 -10.174 5.163 -0.017 1.00 0.00 C ATOM 540 O PRO A 37 -9.849 4.431 -0.937 1.00 0.00 O ATOM 541 CB PRO A 37 -9.489 7.484 0.707 1.00 0.00 C ATOM 542 CG PRO A 37 -8.478 8.309 -0.113 1.00 0.00 C ATOM 543 CD PRO A 37 -7.428 7.358 -0.702 1.00 0.00 C ATOM 544 OXT PRO A 37 -11.315 5.263 0.405 1.00 0.00 O ATOM 0 HA PRO A 37 -8.929 5.568 1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.495 7.615 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.508 7.830 1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.989 8.848 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.998 9.056 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.418 7.390 -1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.421 7.608 -0.367 1.00 0.00 H new TER 552 PRO A 37