USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=5 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 Single : A 1 VAL N :NH3+ 154:sc= -0.34 (180deg=-1.87!) USER MOD Single : A 4 ASN : amide:sc= 0.0888! C(o=0.089!,f=-7!) USER MOD Single : A 6 LYS NZ :NH3+ 140:sc= -0.247 (180deg=-1.61!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.12 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -173:sc= 0.0128 (180deg=0.00865) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.190 9.152 0.388 1.00 0.00 N ATOM 2 CA VAL A 1 -2.441 8.930 1.660 1.00 0.00 C ATOM 3 C VAL A 1 -1.651 7.620 1.588 1.00 0.00 C ATOM 4 O VAL A 1 -2.183 6.582 1.251 1.00 0.00 O ATOM 5 CB VAL A 1 -3.517 8.852 2.744 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.618 7.883 2.304 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.891 8.351 4.046 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.023 9.746 0.575 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.572 9.628 -0.300 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.498 8.237 0.002 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.720 9.723 1.859 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.946 9.842 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.384 7.828 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.064 8.237 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.190 6.893 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.657 8.295 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.463 7.361 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.107 9.039 4.361 1.00 0.00 H new ATOM 19 N PHE A 2 -0.383 7.663 1.899 1.00 0.00 N ATOM 20 CA PHE A 2 0.440 6.420 1.844 1.00 0.00 C ATOM 21 C PHE A 2 1.108 6.159 3.196 1.00 0.00 C ATOM 22 O PHE A 2 0.932 6.901 4.142 1.00 0.00 O ATOM 23 CB PHE A 2 1.501 6.692 0.777 1.00 0.00 C ATOM 24 CG PHE A 2 0.842 7.244 -0.463 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.391 6.736 -0.886 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.468 8.263 -1.191 1.00 0.00 C ATOM 27 CE1 PHE A 2 -1.001 7.247 -2.038 1.00 0.00 C ATOM 28 CE2 PHE A 2 0.859 8.775 -2.342 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.376 8.268 -2.766 1.00 0.00 C ATOM 0 H PHE A 2 0.118 8.503 2.188 1.00 0.00 H new ATOM 0 HA PHE A 2 -0.164 5.543 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.238 7.400 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.035 5.772 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.872 5.949 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.420 8.654 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.952 6.854 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.341 9.561 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.846 8.664 -3.654 1.00 0.00 H new ATOM 39 N ILE A 3 1.881 5.113 3.288 1.00 0.00 N ATOM 40 CA ILE A 3 2.573 4.801 4.570 1.00 0.00 C ATOM 41 C ILE A 3 4.022 4.395 4.290 1.00 0.00 C ATOM 42 O ILE A 3 4.369 4.032 3.184 1.00 0.00 O ATOM 43 CB ILE A 3 1.791 3.634 5.179 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.458 2.613 4.088 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.493 4.158 5.798 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.620 1.482 4.687 1.00 0.00 C ATOM 0 H ILE A 3 2.064 4.458 2.528 1.00 0.00 H new ATOM 0 HA ILE A 3 2.603 5.656 5.245 1.00 0.00 H new ATOM 0 HB ILE A 3 2.396 3.156 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.911 3.096 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.376 2.212 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.064 3.328 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.728 4.883 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.111 4.637 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.383 0.755 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.183 0.993 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.304 1.891 5.096 1.00 0.00 H new ATOM 58 N ASN A 4 4.872 4.460 5.277 1.00 0.00 N ATOM 59 CA ASN A 4 6.297 4.082 5.054 1.00 0.00 C ATOM 60 C ASN A 4 6.492 2.573 5.236 1.00 0.00 C ATOM 61 O ASN A 4 7.548 2.120 5.630 1.00 0.00 O ATOM 62 CB ASN A 4 7.084 4.856 6.114 1.00 0.00 C ATOM 63 CG ASN A 4 6.569 4.484 7.505 1.00 0.00 C ATOM 64 OD1 ASN A 4 5.378 4.365 7.714 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.423 4.294 8.473 1.00 0.00 N ATOM 0 H ASN A 4 4.643 4.757 6.226 1.00 0.00 H new ATOM 0 HA ASN A 4 6.628 4.319 4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.146 4.625 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.978 5.928 5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.091 4.046 9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.423 4.394 8.298 1.00 0.00 H new ATOM 72 N ALA A 5 5.487 1.790 4.948 1.00 0.00 N ATOM 73 CA ALA A 5 5.632 0.315 5.104 1.00 0.00 C ATOM 74 C ALA A 5 6.481 -0.250 3.963 1.00 0.00 C ATOM 75 O ALA A 5 6.012 -0.423 2.856 1.00 0.00 O ATOM 76 CB ALA A 5 4.207 -0.237 5.039 1.00 0.00 C ATOM 0 H ALA A 5 4.577 2.106 4.613 1.00 0.00 H new ATOM 0 HA ALA A 5 6.127 0.044 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.232 -1.321 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.613 0.194 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.760 0.022 4.079 1.00 0.00 H new ATOM 82 N LYS A 6 7.728 -0.533 4.229 1.00 0.00 N ATOM 83 CA LYS A 6 8.622 -1.082 3.167 1.00 0.00 C ATOM 84 C LYS A 6 7.870 -2.091 2.292 1.00 0.00 C ATOM 85 O LYS A 6 7.812 -3.267 2.593 1.00 0.00 O ATOM 86 CB LYS A 6 9.758 -1.773 3.926 1.00 0.00 C ATOM 87 CG LYS A 6 9.178 -2.652 5.037 1.00 0.00 C ATOM 88 CD LYS A 6 10.315 -3.383 5.752 1.00 0.00 C ATOM 89 CE LYS A 6 10.747 -2.584 6.986 1.00 0.00 C ATOM 90 NZ LYS A 6 9.566 -2.600 7.896 1.00 0.00 N ATOM 0 H LYS A 6 8.168 -0.407 5.140 1.00 0.00 H new ATOM 0 HA LYS A 6 8.987 -0.302 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.349 -2.380 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.429 -1.028 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.621 -2.040 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.475 -3.372 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.990 -4.380 6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.160 -3.511 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.617 -3.035 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.024 -1.564 6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.886 -2.725 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.050 -1.701 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.937 -3.386 7.635 1.00 0.00 H new ATOM 104 N CYS A 7 7.297 -1.640 1.208 1.00 0.00 N ATOM 105 CA CYS A 7 6.554 -2.575 0.312 1.00 0.00 C ATOM 106 C CYS A 7 7.537 -3.367 -0.553 1.00 0.00 C ATOM 107 O CYS A 7 8.576 -2.871 -0.942 1.00 0.00 O ATOM 108 CB CYS A 7 5.678 -1.675 -0.561 1.00 0.00 C ATOM 109 SG CYS A 7 6.724 -0.493 -1.449 1.00 0.00 S ATOM 0 H CYS A 7 7.311 -0.666 0.904 1.00 0.00 H new ATOM 0 HA CYS A 7 5.963 -3.301 0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.110 -2.278 -1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.954 -1.144 0.057 1.00 0.00 H new ATOM 114 N ARG A 8 7.218 -4.595 -0.860 1.00 0.00 N ATOM 115 CA ARG A 8 8.138 -5.414 -1.702 1.00 0.00 C ATOM 116 C ARG A 8 7.561 -5.578 -3.109 1.00 0.00 C ATOM 117 O ARG A 8 8.269 -5.874 -4.050 1.00 0.00 O ATOM 118 CB ARG A 8 8.220 -6.770 -1.002 1.00 0.00 C ATOM 119 CG ARG A 8 8.956 -6.614 0.329 1.00 0.00 C ATOM 120 CD ARG A 8 7.941 -6.391 1.450 1.00 0.00 C ATOM 121 NE ARG A 8 8.180 -7.501 2.411 1.00 0.00 N ATOM 122 CZ ARG A 8 7.475 -7.576 3.506 1.00 0.00 C ATOM 123 NH1 ARG A 8 6.975 -6.492 4.033 1.00 0.00 N ATOM 124 NH2 ARG A 8 7.272 -8.733 4.075 1.00 0.00 N ATOM 0 H ARG A 8 6.363 -5.066 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 8 9.118 -4.949 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.218 -7.164 -0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.741 -7.487 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.551 -7.504 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.648 -5.773 0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.084 -5.420 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.920 -6.412 1.068 1.00 0.00 H new ATOM 0 HE ARG A 8 8.894 -8.202 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.136 -5.588 3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.423 -6.549 4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.665 -9.580 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.721 -8.791 4.931 1.00 0.00 H new ATOM 138 N GLY A 9 6.279 -5.390 -3.261 1.00 0.00 N ATOM 139 CA GLY A 9 5.663 -5.538 -4.609 1.00 0.00 C ATOM 140 C GLY A 9 4.245 -4.966 -4.596 1.00 0.00 C ATOM 141 O GLY A 9 3.597 -4.902 -3.571 1.00 0.00 O ATOM 0 H GLY A 9 5.633 -5.141 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.267 -5.020 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.638 -6.590 -4.894 1.00 0.00 H new ATOM 145 N SER A 10 3.759 -4.554 -5.734 1.00 0.00 N ATOM 146 CA SER A 10 2.383 -3.990 -5.805 1.00 0.00 C ATOM 147 C SER A 10 1.385 -4.873 -5.040 1.00 0.00 C ATOM 148 O SER A 10 0.625 -4.375 -4.233 1.00 0.00 O ATOM 149 CB SER A 10 2.043 -3.964 -7.294 1.00 0.00 C ATOM 150 OG SER A 10 2.014 -2.617 -7.745 1.00 0.00 O ATOM 0 H SER A 10 4.259 -4.584 -6.622 1.00 0.00 H new ATOM 0 HA SER A 10 2.328 -3.000 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.783 -4.533 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.077 -4.438 -7.467 1.00 0.00 H new ATOM 0 HG SER A 10 1.798 -2.597 -8.701 1.00 0.00 H new ATOM 156 N PRO A 11 1.404 -6.156 -5.317 1.00 0.00 N ATOM 157 CA PRO A 11 0.472 -7.087 -4.638 1.00 0.00 C ATOM 158 C PRO A 11 0.707 -7.091 -3.125 1.00 0.00 C ATOM 159 O PRO A 11 -0.156 -7.471 -2.359 1.00 0.00 O ATOM 160 CB PRO A 11 0.825 -8.438 -5.265 1.00 0.00 C ATOM 161 CG PRO A 11 1.948 -8.227 -6.297 1.00 0.00 C ATOM 162 CD PRO A 11 2.342 -6.743 -6.304 1.00 0.00 C ATOM 0 HA PRO A 11 -0.578 -6.821 -4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.147 -9.139 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.052 -8.872 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.810 -8.845 -6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.612 -8.533 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.382 -6.598 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.224 -6.297 -7.291 1.00 0.00 H new ATOM 170 N GLU A 12 1.859 -6.665 -2.683 1.00 0.00 N ATOM 171 CA GLU A 12 2.125 -6.644 -1.215 1.00 0.00 C ATOM 172 C GLU A 12 1.445 -5.431 -0.579 1.00 0.00 C ATOM 173 O GLU A 12 0.895 -5.509 0.504 1.00 0.00 O ATOM 174 CB GLU A 12 3.644 -6.538 -1.077 1.00 0.00 C ATOM 175 CG GLU A 12 4.021 -6.588 0.406 1.00 0.00 C ATOM 176 CD GLU A 12 4.775 -7.886 0.704 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.157 -8.557 -0.240 1.00 0.00 O ATOM 178 OE2 GLU A 12 4.956 -8.187 1.872 1.00 0.00 O ATOM 0 H GLU A 12 2.624 -6.332 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 12 1.737 -7.532 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.128 -7.354 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.997 -5.608 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.641 -5.729 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.123 -6.528 1.021 1.00 0.00 H new ATOM 185 N CYS A 13 1.472 -4.306 -1.241 1.00 0.00 N ATOM 186 CA CYS A 13 0.823 -3.094 -0.668 1.00 0.00 C ATOM 187 C CYS A 13 -0.695 -3.288 -0.606 1.00 0.00 C ATOM 188 O CYS A 13 -1.357 -2.783 0.279 1.00 0.00 O ATOM 189 CB CYS A 13 1.183 -1.953 -1.622 1.00 0.00 C ATOM 190 SG CYS A 13 0.700 -0.367 -0.886 1.00 0.00 S ATOM 0 H CYS A 13 1.914 -4.175 -2.151 1.00 0.00 H new ATOM 0 HA CYS A 13 1.159 -2.889 0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.254 -1.960 -1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.677 -2.091 -2.577 1.00 0.00 H new ATOM 195 N LEU A 14 -1.256 -4.019 -1.534 1.00 0.00 N ATOM 196 CA LEU A 14 -2.729 -4.240 -1.509 1.00 0.00 C ATOM 197 C LEU A 14 -3.164 -4.685 -0.104 1.00 0.00 C ATOM 198 O LEU A 14 -3.960 -4.020 0.527 1.00 0.00 O ATOM 199 CB LEU A 14 -2.992 -5.332 -2.546 1.00 0.00 C ATOM 200 CG LEU A 14 -3.787 -4.749 -3.715 1.00 0.00 C ATOM 201 CD1 LEU A 14 -2.877 -3.848 -4.550 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.315 -5.891 -4.589 1.00 0.00 C ATOM 0 H LEU A 14 -0.760 -4.469 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.293 -3.336 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.048 -5.742 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.545 -6.154 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.624 -4.165 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.443 -3.432 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.498 -3.037 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.041 -4.432 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.882 -5.478 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.477 -6.473 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.962 -6.535 -3.994 1.00 0.00 H new ATOM 214 N PRO A 15 -2.615 -5.788 0.357 1.00 0.00 N ATOM 215 CA PRO A 15 -2.950 -6.287 1.711 1.00 0.00 C ATOM 216 C PRO A 15 -2.587 -5.233 2.759 1.00 0.00 C ATOM 217 O PRO A 15 -3.314 -5.009 3.707 1.00 0.00 O ATOM 218 CB PRO A 15 -2.054 -7.522 1.848 1.00 0.00 C ATOM 219 CG PRO A 15 -1.227 -7.679 0.559 1.00 0.00 C ATOM 220 CD PRO A 15 -1.647 -6.587 -0.433 1.00 0.00 C ATOM 0 HA PRO A 15 -4.008 -6.509 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.394 -7.416 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.660 -8.412 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.163 -7.598 0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.388 -8.666 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.797 -5.987 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.104 -7.007 -1.329 1.00 0.00 H new ATOM 228 N LYS A 16 -1.465 -4.582 2.592 1.00 0.00 N ATOM 229 CA LYS A 16 -1.053 -3.541 3.575 1.00 0.00 C ATOM 230 C LYS A 16 -2.132 -2.462 3.676 1.00 0.00 C ATOM 231 O LYS A 16 -2.517 -2.053 4.755 1.00 0.00 O ATOM 232 CB LYS A 16 0.243 -2.955 3.012 1.00 0.00 C ATOM 233 CG LYS A 16 1.413 -3.877 3.363 1.00 0.00 C ATOM 234 CD LYS A 16 1.694 -3.797 4.865 1.00 0.00 C ATOM 235 CE LYS A 16 1.568 -5.191 5.485 1.00 0.00 C ATOM 236 NZ LYS A 16 2.911 -5.812 5.312 1.00 0.00 N ATOM 0 H LYS A 16 -0.818 -4.727 1.817 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.913 -3.947 4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.165 -2.844 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.414 -1.960 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.178 -4.903 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.300 -3.586 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.694 -3.400 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.993 -3.111 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.293 -5.131 6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.795 -5.776 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.904 -6.772 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.143 -5.862 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.625 -5.237 5.803 1.00 0.00 H new ATOM 250 N CYS A 17 -2.628 -1.999 2.561 1.00 0.00 N ATOM 251 CA CYS A 17 -3.687 -0.950 2.599 1.00 0.00 C ATOM 252 C CYS A 17 -4.959 -1.518 3.234 1.00 0.00 C ATOM 253 O CYS A 17 -5.575 -0.898 4.077 1.00 0.00 O ATOM 254 CB CYS A 17 -3.939 -0.580 1.137 1.00 0.00 C ATOM 255 SG CYS A 17 -2.395 -0.015 0.380 1.00 0.00 S ATOM 0 H CYS A 17 -2.347 -2.300 1.628 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.390 -0.083 3.189 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.328 -1.442 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.695 0.203 1.074 1.00 0.00 H new ATOM 260 N LYS A 18 -5.354 -2.696 2.836 1.00 0.00 N ATOM 261 CA LYS A 18 -6.582 -3.309 3.417 1.00 0.00 C ATOM 262 C LYS A 18 -6.426 -3.461 4.931 1.00 0.00 C ATOM 263 O LYS A 18 -7.395 -3.524 5.662 1.00 0.00 O ATOM 264 CB LYS A 18 -6.694 -4.680 2.750 1.00 0.00 C ATOM 265 CG LYS A 18 -8.130 -5.194 2.875 1.00 0.00 C ATOM 266 CD LYS A 18 -8.120 -6.588 3.506 1.00 0.00 C ATOM 267 CE LYS A 18 -9.279 -7.413 2.941 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.224 -7.578 4.080 1.00 0.00 N ATOM 0 H LYS A 18 -4.879 -3.261 2.133 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.470 -2.700 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.412 -4.609 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.004 -5.381 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.720 -4.511 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.601 -5.231 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.172 -7.085 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.210 -6.509 4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.755 -6.903 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.933 -8.378 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.047 -8.134 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.745 -8.072 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.541 -6.643 4.406 1.00 0.00 H new ATOM 282 N GLU A 19 -5.213 -3.520 5.408 1.00 0.00 N ATOM 283 CA GLU A 19 -4.993 -3.668 6.875 1.00 0.00 C ATOM 284 C GLU A 19 -4.600 -2.320 7.486 1.00 0.00 C ATOM 285 O GLU A 19 -4.586 -2.154 8.690 1.00 0.00 O ATOM 286 CB GLU A 19 -3.847 -4.673 7.006 1.00 0.00 C ATOM 287 CG GLU A 19 -3.958 -5.400 8.349 1.00 0.00 C ATOM 288 CD GLU A 19 -4.414 -6.842 8.113 1.00 0.00 C ATOM 289 OE1 GLU A 19 -3.605 -7.631 7.653 1.00 0.00 O ATOM 290 OE2 GLU A 19 -5.564 -7.132 8.397 1.00 0.00 O ATOM 0 H GLU A 19 -4.364 -3.472 4.845 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.889 -4.005 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.884 -5.391 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.888 -4.159 6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.995 -5.391 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.667 -4.884 8.996 1.00 0.00 H new ATOM 297 N ALA A 20 -4.282 -1.357 6.666 1.00 0.00 N ATOM 298 CA ALA A 20 -3.892 -0.019 7.200 1.00 0.00 C ATOM 299 C ALA A 20 -5.047 0.973 7.037 1.00 0.00 C ATOM 300 O ALA A 20 -5.614 1.442 8.003 1.00 0.00 O ATOM 301 CB ALA A 20 -2.693 0.410 6.354 1.00 0.00 C ATOM 0 H ALA A 20 -4.275 -1.437 5.649 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.650 -0.052 8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.345 1.388 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.889 -0.318 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.988 0.466 5.306 1.00 0.00 H new ATOM 307 N ILE A 21 -5.399 1.293 5.822 1.00 0.00 N ATOM 308 CA ILE A 21 -6.517 2.256 5.600 1.00 0.00 C ATOM 309 C ILE A 21 -7.860 1.515 5.593 1.00 0.00 C ATOM 310 O ILE A 21 -8.903 2.099 5.811 1.00 0.00 O ATOM 311 CB ILE A 21 -6.238 2.886 4.230 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.616 1.897 3.122 1.00 0.00 C ATOM 313 CG2 ILE A 21 -4.752 3.232 4.117 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.487 2.578 1.759 1.00 0.00 C ATOM 0 H ILE A 21 -4.962 0.931 4.974 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.575 3.009 6.386 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.832 3.794 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.967 1.022 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.637 1.545 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.556 3.680 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.482 3.939 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.158 2.325 4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.756 1.873 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.154 3.439 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.459 2.908 1.613 1.00 0.00 H new ATOM 326 N GLY A 22 -7.840 0.234 5.342 1.00 0.00 N ATOM 327 CA GLY A 22 -9.115 -0.541 5.318 1.00 0.00 C ATOM 328 C GLY A 22 -9.586 -0.700 3.872 1.00 0.00 C ATOM 329 O GLY A 22 -10.737 -0.989 3.611 1.00 0.00 O ATOM 0 H GLY A 22 -6.998 -0.309 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.967 -1.520 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.876 -0.028 5.906 1.00 0.00 H new ATOM 333 N LYS A 23 -8.705 -0.511 2.928 1.00 0.00 N ATOM 334 CA LYS A 23 -9.103 -0.647 1.498 1.00 0.00 C ATOM 335 C LYS A 23 -7.940 -1.214 0.678 1.00 0.00 C ATOM 336 O LYS A 23 -6.876 -0.629 0.603 1.00 0.00 O ATOM 337 CB LYS A 23 -9.440 0.774 1.044 1.00 0.00 C ATOM 338 CG LYS A 23 -9.922 0.748 -0.407 1.00 0.00 C ATOM 339 CD LYS A 23 -11.422 0.446 -0.442 1.00 0.00 C ATOM 340 CE LYS A 23 -12.158 1.586 -1.151 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.793 0.952 -2.340 1.00 0.00 N ATOM 0 H LYS A 23 -7.727 -0.268 3.085 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.945 -1.326 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.211 1.199 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.562 1.413 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.722 1.707 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.375 -0.008 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.602 -0.495 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.803 0.328 0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.905 2.040 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.469 2.378 -1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.317 1.671 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.057 0.535 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.448 0.207 -2.028 1.00 0.00 H new ATOM 355 N ALA A 24 -8.132 -2.349 0.064 1.00 0.00 N ATOM 356 CA ALA A 24 -7.038 -2.953 -0.749 1.00 0.00 C ATOM 357 C ALA A 24 -6.898 -2.214 -2.082 1.00 0.00 C ATOM 358 O ALA A 24 -7.125 -2.771 -3.139 1.00 0.00 O ATOM 359 CB ALA A 24 -7.471 -4.401 -0.981 1.00 0.00 C ATOM 0 H ALA A 24 -9.000 -2.885 0.090 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.071 -2.891 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.716 -4.916 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.584 -4.905 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.422 -4.416 -1.513 1.00 0.00 H new ATOM 365 N ALA A 25 -6.526 -0.965 -2.043 1.00 0.00 N ATOM 366 CA ALA A 25 -6.372 -0.192 -3.309 1.00 0.00 C ATOM 367 C ALA A 25 -5.086 0.640 -3.268 1.00 0.00 C ATOM 368 O ALA A 25 -5.117 1.836 -3.060 1.00 0.00 O ATOM 369 CB ALA A 25 -7.599 0.718 -3.369 1.00 0.00 C ATOM 0 H ALA A 25 -6.322 -0.445 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.302 -0.840 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.560 1.322 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.503 0.109 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.610 1.372 -2.497 1.00 0.00 H new ATOM 375 N GLY A 26 -3.957 0.014 -3.465 1.00 0.00 N ATOM 376 CA GLY A 26 -2.675 0.774 -3.434 1.00 0.00 C ATOM 377 C GLY A 26 -1.549 -0.082 -4.018 1.00 0.00 C ATOM 378 O GLY A 26 -1.702 -1.268 -4.230 1.00 0.00 O ATOM 0 H GLY A 26 -3.867 -0.986 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.775 1.697 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.435 1.057 -2.409 1.00 0.00 H new ATOM 382 N LYS A 27 -0.416 0.515 -4.279 1.00 0.00 N ATOM 383 CA LYS A 27 0.725 -0.258 -4.847 1.00 0.00 C ATOM 384 C LYS A 27 2.012 0.061 -4.080 1.00 0.00 C ATOM 385 O LYS A 27 2.001 0.784 -3.104 1.00 0.00 O ATOM 386 CB LYS A 27 0.846 0.210 -6.298 1.00 0.00 C ATOM 387 CG LYS A 27 -0.507 0.074 -7.000 1.00 0.00 C ATOM 388 CD LYS A 27 -0.572 1.047 -8.178 1.00 0.00 C ATOM 389 CE LYS A 27 -0.627 2.486 -7.654 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.315 3.268 -8.721 1.00 0.00 N ATOM 0 H LYS A 27 -0.232 1.506 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 27 0.565 -1.334 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.180 1.247 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.598 -0.382 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.645 -0.949 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.315 0.282 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.300 0.916 -8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.451 0.837 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.173 2.541 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.374 2.874 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.388 4.264 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.770 3.205 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.268 2.882 -8.874 1.00 0.00 H new ATOM 404 N CYS A 28 3.120 -0.468 -4.519 1.00 0.00 N ATOM 405 CA CYS A 28 4.408 -0.190 -3.821 1.00 0.00 C ATOM 406 C CYS A 28 5.196 0.874 -4.591 1.00 0.00 C ATOM 407 O CYS A 28 5.123 0.956 -5.801 1.00 0.00 O ATOM 408 CB CYS A 28 5.155 -1.523 -3.823 1.00 0.00 C ATOM 409 SG CYS A 28 6.871 -1.257 -3.314 1.00 0.00 S ATOM 0 H CYS A 28 3.190 -1.081 -5.331 1.00 0.00 H new ATOM 0 HA CYS A 28 4.263 0.189 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.669 -2.225 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.125 -1.967 -4.818 1.00 0.00 H new ATOM 414 N MET A 29 5.944 1.694 -3.906 1.00 0.00 N ATOM 415 CA MET A 29 6.723 2.748 -4.617 1.00 0.00 C ATOM 416 C MET A 29 8.120 2.896 -4.008 1.00 0.00 C ATOM 417 O MET A 29 8.320 3.626 -3.058 1.00 0.00 O ATOM 418 CB MET A 29 5.920 4.033 -4.429 1.00 0.00 C ATOM 419 CG MET A 29 5.897 4.815 -5.743 1.00 0.00 C ATOM 420 SD MET A 29 5.486 6.545 -5.411 1.00 0.00 S ATOM 421 CE MET A 29 6.566 7.278 -6.664 1.00 0.00 C ATOM 0 H MET A 29 6.050 1.681 -2.892 1.00 0.00 H new ATOM 0 HA MET A 29 6.866 2.504 -5.670 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.903 3.797 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.364 4.640 -3.640 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.868 4.749 -6.234 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.165 4.381 -6.424 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.471 8.363 -6.636 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.600 6.999 -6.461 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.279 6.914 -7.650 1.00 0.00 H new ATOM 431 N ASN A 30 9.088 2.214 -4.559 1.00 0.00 N ATOM 432 CA ASN A 30 10.480 2.319 -4.028 1.00 0.00 C ATOM 433 C ASN A 30 10.553 1.842 -2.575 1.00 0.00 C ATOM 434 O ASN A 30 11.560 2.001 -1.914 1.00 0.00 O ATOM 435 CB ASN A 30 10.826 3.805 -4.123 1.00 0.00 C ATOM 436 CG ASN A 30 11.673 4.051 -5.372 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.207 4.634 -6.331 1.00 0.00 O ATOM 438 ND2 ASN A 30 12.907 3.628 -5.403 1.00 0.00 N ATOM 0 H ASN A 30 8.976 1.587 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 30 11.175 1.695 -4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.914 4.400 -4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.371 4.120 -3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.480 3.787 -6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.299 3.139 -4.598 1.00 0.00 H new ATOM 445 N GLY A 31 9.505 1.251 -2.069 1.00 0.00 N ATOM 446 CA GLY A 31 9.542 0.765 -0.661 1.00 0.00 C ATOM 447 C GLY A 31 8.408 1.403 0.145 1.00 0.00 C ATOM 448 O GLY A 31 8.360 1.293 1.353 1.00 0.00 O ATOM 0 H GLY A 31 8.630 1.085 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.447 -0.321 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.503 1.010 -0.209 1.00 0.00 H new ATOM 452 N LYS A 32 7.494 2.066 -0.507 1.00 0.00 N ATOM 453 CA LYS A 32 6.371 2.699 0.243 1.00 0.00 C ATOM 454 C LYS A 32 5.029 2.151 -0.251 1.00 0.00 C ATOM 455 O LYS A 32 4.907 1.696 -1.371 1.00 0.00 O ATOM 456 CB LYS A 32 6.487 4.196 -0.048 1.00 0.00 C ATOM 457 CG LYS A 32 7.328 4.862 1.044 1.00 0.00 C ATOM 458 CD LYS A 32 8.034 6.093 0.470 1.00 0.00 C ATOM 459 CE LYS A 32 8.547 6.970 1.616 1.00 0.00 C ATOM 460 NZ LYS A 32 8.013 8.331 1.327 1.00 0.00 N ATOM 0 H LYS A 32 7.474 2.197 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 32 6.421 2.492 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.947 4.354 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.496 4.648 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.692 5.152 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.063 4.157 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.864 5.785 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.346 6.661 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.195 6.605 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.636 6.973 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.322 8.990 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.370 8.655 0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.974 8.298 1.304 1.00 0.00 H new ATOM 474 N CYS A 33 4.023 2.188 0.580 1.00 0.00 N ATOM 475 CA CYS A 33 2.691 1.662 0.162 1.00 0.00 C ATOM 476 C CYS A 33 1.804 2.809 -0.331 1.00 0.00 C ATOM 477 O CYS A 33 1.516 3.737 0.398 1.00 0.00 O ATOM 478 CB CYS A 33 2.100 1.046 1.431 1.00 0.00 C ATOM 479 SG CYS A 33 1.269 -0.519 1.048 1.00 0.00 S ATOM 0 H CYS A 33 4.065 2.559 1.529 1.00 0.00 H new ATOM 0 HA CYS A 33 2.766 0.941 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.890 0.876 2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.391 1.740 1.883 1.00 0.00 H new ATOM 484 N LYS A 34 1.367 2.753 -1.558 1.00 0.00 N ATOM 485 CA LYS A 34 0.498 3.844 -2.087 1.00 0.00 C ATOM 486 C LYS A 34 -0.975 3.440 -1.997 1.00 0.00 C ATOM 487 O LYS A 34 -1.581 3.053 -2.976 1.00 0.00 O ATOM 488 CB LYS A 34 0.921 4.015 -3.546 1.00 0.00 C ATOM 489 CG LYS A 34 2.246 4.775 -3.608 1.00 0.00 C ATOM 490 CD LYS A 34 2.202 5.788 -4.754 1.00 0.00 C ATOM 491 CE LYS A 34 2.323 5.054 -6.091 1.00 0.00 C ATOM 492 NZ LYS A 34 2.378 6.132 -7.116 1.00 0.00 N ATOM 0 H LYS A 34 1.572 2.002 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 34 0.606 4.769 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.026 3.040 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.153 4.557 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.428 5.287 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.070 4.078 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.269 6.351 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.013 6.508 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.219 4.434 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.472 4.393 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.342 5.710 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.568 6.772 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.263 6.668 -7.009 1.00 0.00 H new ATOM 506 N CYS A 35 -1.556 3.525 -0.831 1.00 0.00 N ATOM 507 CA CYS A 35 -2.991 3.144 -0.681 1.00 0.00 C ATOM 508 C CYS A 35 -3.898 4.290 -1.142 1.00 0.00 C ATOM 509 O CYS A 35 -3.509 5.440 -1.148 1.00 0.00 O ATOM 510 CB CYS A 35 -3.176 2.881 0.814 1.00 0.00 C ATOM 511 SG CYS A 35 -1.940 1.683 1.377 1.00 0.00 S ATOM 0 H CYS A 35 -1.100 3.842 0.024 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.251 2.274 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.076 3.812 1.372 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.179 2.501 1.005 1.00 0.00 H new ATOM 516 N TYR A 36 -5.107 3.980 -1.526 1.00 0.00 N ATOM 517 CA TYR A 36 -6.044 5.047 -1.986 1.00 0.00 C ATOM 518 C TYR A 36 -7.419 4.862 -1.330 1.00 0.00 C ATOM 519 O TYR A 36 -8.349 4.409 -1.967 1.00 0.00 O ATOM 520 CB TYR A 36 -6.147 4.856 -3.500 1.00 0.00 C ATOM 521 CG TYR A 36 -5.251 5.850 -4.201 1.00 0.00 C ATOM 522 CD1 TYR A 36 -3.864 5.797 -4.013 1.00 0.00 C ATOM 523 CD2 TYR A 36 -5.806 6.823 -5.042 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.034 6.717 -4.665 1.00 0.00 C ATOM 525 CE2 TYR A 36 -4.975 7.743 -5.693 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.589 7.689 -5.505 1.00 0.00 C ATOM 527 OH TYR A 36 -2.769 8.596 -6.148 1.00 0.00 O ATOM 0 H TYR A 36 -5.487 3.034 -1.541 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.695 6.045 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.859 3.840 -3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.179 4.991 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.435 5.047 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.875 6.864 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.965 6.676 -4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.403 8.494 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.314 9.201 -6.693 1.00 0.00 H new ATOM 537 N PRO A 37 -7.506 5.216 -0.071 1.00 0.00 N ATOM 538 CA PRO A 37 -8.781 5.082 0.671 1.00 0.00 C ATOM 539 C PRO A 37 -9.871 5.946 0.028 1.00 0.00 C ATOM 540 O PRO A 37 -9.704 7.154 0.002 1.00 0.00 O ATOM 541 CB PRO A 37 -8.416 5.603 2.065 1.00 0.00 C ATOM 542 CG PRO A 37 -6.932 6.020 2.066 1.00 0.00 C ATOM 543 CD PRO A 37 -6.347 5.766 0.670 1.00 0.00 C ATOM 544 OXT PRO A 37 -10.853 5.382 -0.430 1.00 0.00 O ATOM 0 HA PRO A 37 -9.177 4.066 0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.047 6.452 2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.592 4.831 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.836 7.073 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.381 5.452 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.973 6.683 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.515 5.063 0.701 1.00 0.00 H new TER 552 PRO A 37