USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=5 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 1 GLY N :NH3+ -145:sc= 0.082 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.0307 X(o=0.031,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-3.9!) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc=-0.00759 (180deg=-0.213) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 31 LYS NZ :NH3+ -133:sc= 0.0226 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 1.51 K(o=1.5,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.259 -2.219 6.985 1.00 0.00 N ATOM 2 CA GLY A 1 -8.066 -1.417 6.753 1.00 0.00 C ATOM 3 C GLY A 1 -7.284 -1.971 5.610 1.00 0.00 C ATOM 4 O GLY A 1 -7.861 -2.584 4.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.037 -1.602 7.293 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.529 -2.703 6.105 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.064 -2.926 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.348 -0.385 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.449 -1.402 7.651 1.00 0.00 H new ATOM 10 N ILE A 2 -5.981 -1.776 5.630 1.00 0.00 N ATOM 11 CA ILE A 2 -5.122 -2.288 4.604 1.00 0.00 C ATOM 12 C ILE A 2 -5.021 -3.807 4.667 1.00 0.00 C ATOM 13 O ILE A 2 -4.744 -4.382 5.713 1.00 0.00 O ATOM 14 CB ILE A 2 -3.732 -1.618 4.650 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.164 -1.584 6.099 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.802 -0.239 4.027 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.871 -0.805 6.264 1.00 0.00 C ATOM 0 H ILE A 2 -5.496 -1.257 6.362 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.570 -2.037 3.643 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.034 -2.215 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.917 -1.152 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.998 -2.609 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.817 0.227 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.125 -0.324 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.514 0.374 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.556 -0.840 7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.097 -1.247 5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.030 0.232 5.967 1.00 0.00 H new ATOM 29 N THR A 3 -5.297 -4.425 3.561 1.00 0.00 N ATOM 30 CA THR A 3 -5.282 -5.855 3.410 1.00 0.00 C ATOM 31 C THR A 3 -4.667 -6.123 2.053 1.00 0.00 C ATOM 32 O THR A 3 -4.853 -5.316 1.138 1.00 0.00 O ATOM 33 CB THR A 3 -6.731 -6.401 3.409 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.435 -5.953 4.594 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.762 -7.927 3.356 1.00 0.00 C ATOM 0 H THR A 3 -5.549 -3.933 2.704 1.00 0.00 H new ATOM 0 HA THR A 3 -4.730 -6.331 4.220 1.00 0.00 H new ATOM 0 HB THR A 3 -7.221 -6.016 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.350 -6.303 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.797 -8.270 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.267 -8.270 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.245 -8.332 4.226 1.00 0.00 H new ATOM 43 N CYS A 4 -3.950 -7.194 1.915 1.00 0.00 N ATOM 44 CA CYS A 4 -3.308 -7.482 0.676 1.00 0.00 C ATOM 45 C CYS A 4 -3.769 -8.784 0.108 1.00 0.00 C ATOM 46 O CYS A 4 -3.432 -9.856 0.617 1.00 0.00 O ATOM 47 CB CYS A 4 -1.816 -7.499 0.859 1.00 0.00 C ATOM 48 SG CYS A 4 -1.169 -5.962 1.557 1.00 0.00 S ATOM 0 H CYS A 4 -3.796 -7.884 2.650 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.577 -6.696 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.545 -8.329 1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.340 -7.682 -0.104 1.00 0.00 H new ATOM 53 N ASP A 5 -4.565 -8.704 -0.914 1.00 0.00 N ATOM 54 CA ASP A 5 -4.989 -9.880 -1.630 1.00 0.00 C ATOM 55 C ASP A 5 -4.058 -10.034 -2.798 1.00 0.00 C ATOM 56 O ASP A 5 -3.689 -11.148 -3.197 1.00 0.00 O ATOM 57 CB ASP A 5 -6.436 -9.751 -2.108 1.00 0.00 C ATOM 58 CG ASP A 5 -6.918 -10.974 -2.864 1.00 0.00 C ATOM 59 OD1 ASP A 5 -7.257 -10.857 -4.064 1.00 0.00 O ATOM 60 OD2 ASP A 5 -6.965 -12.088 -2.275 1.00 0.00 O ATOM 0 H ASP A 5 -4.941 -7.828 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.954 -10.754 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.084 -9.583 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.525 -8.875 -2.750 1.00 0.00 H new ATOM 65 N LEU A 6 -3.626 -8.897 -3.305 1.00 0.00 N ATOM 66 CA LEU A 6 -2.693 -8.824 -4.363 1.00 0.00 C ATOM 67 C LEU A 6 -1.368 -8.313 -3.816 1.00 0.00 C ATOM 68 O LEU A 6 -1.311 -7.669 -2.768 1.00 0.00 O ATOM 69 CB LEU A 6 -3.209 -7.881 -5.454 1.00 0.00 C ATOM 70 CG LEU A 6 -4.527 -8.274 -6.127 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.957 -7.208 -7.118 1.00 0.00 C ATOM 72 CD2 LEU A 6 -4.399 -9.623 -6.822 1.00 0.00 C ATOM 0 H LEU A 6 -3.935 -7.985 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.554 -9.813 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.330 -6.889 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.443 -7.799 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.291 -8.359 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.895 -7.504 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.095 -6.261 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.190 -7.092 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.348 -9.881 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.620 -9.568 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.138 -10.387 -6.089 1.00 0.00 H new ATOM 84 N ILE A 7 -0.336 -8.616 -4.505 1.00 0.00 N ATOM 85 CA ILE A 7 0.998 -8.199 -4.165 1.00 0.00 C ATOM 86 C ILE A 7 1.427 -7.132 -5.155 1.00 0.00 C ATOM 87 O ILE A 7 1.426 -7.371 -6.370 1.00 0.00 O ATOM 88 CB ILE A 7 1.981 -9.403 -4.196 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.552 -10.446 -3.153 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.420 -8.951 -3.949 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.409 -11.693 -3.122 1.00 0.00 C ATOM 0 H ILE A 7 -0.382 -9.180 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 7 1.012 -7.796 -3.152 1.00 0.00 H new ATOM 0 HB ILE A 7 1.947 -9.854 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.571 -9.983 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.520 -10.735 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.083 -9.816 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.716 -8.242 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.489 -8.473 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.034 -12.373 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.372 -12.184 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.439 -11.421 -2.892 1.00 0.00 H new ATOM 103 N GLY A 8 1.715 -5.946 -4.649 1.00 0.00 N ATOM 104 CA GLY A 8 2.103 -4.813 -5.482 1.00 0.00 C ATOM 105 C GLY A 8 0.927 -4.144 -6.185 1.00 0.00 C ATOM 106 O GLY A 8 0.823 -2.922 -6.212 1.00 0.00 O ATOM 0 H GLY A 8 1.688 -5.738 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.614 -4.075 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.819 -5.151 -6.231 1.00 0.00 H new ATOM 110 N ASN A 9 -0.001 -4.958 -6.652 1.00 0.00 N ATOM 111 CA ASN A 9 -1.141 -4.524 -7.475 1.00 0.00 C ATOM 112 C ASN A 9 -2.324 -4.239 -6.610 1.00 0.00 C ATOM 113 O ASN A 9 -3.437 -4.023 -7.080 1.00 0.00 O ATOM 114 CB ASN A 9 -1.521 -5.620 -8.481 1.00 0.00 C ATOM 115 CG ASN A 9 -0.450 -5.883 -9.518 1.00 0.00 C ATOM 116 OD1 ASN A 9 -0.412 -5.228 -10.548 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.408 -6.842 -9.277 1.00 0.00 N ATOM 0 H ASN A 9 0.006 -5.962 -6.473 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.848 -3.620 -8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.727 -6.544 -7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.443 -5.334 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.134 -7.060 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.350 -7.371 -8.407 1.00 0.00 H new ATOM 124 N GLU A 10 -2.074 -4.215 -5.354 1.00 0.00 N ATOM 125 CA GLU A 10 -3.068 -4.030 -4.380 1.00 0.00 C ATOM 126 C GLU A 10 -3.321 -2.532 -4.189 1.00 0.00 C ATOM 127 O GLU A 10 -2.857 -1.896 -3.233 1.00 0.00 O ATOM 128 CB GLU A 10 -2.640 -4.737 -3.113 1.00 0.00 C ATOM 129 CG GLU A 10 -3.617 -4.660 -2.000 1.00 0.00 C ATOM 130 CD GLU A 10 -4.943 -5.266 -2.360 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.058 -6.504 -2.402 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.900 -4.509 -2.609 1.00 0.00 O ATOM 0 H GLU A 10 -1.137 -4.328 -4.968 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.018 -4.466 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.454 -5.786 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.694 -4.312 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.211 -5.172 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.762 -3.617 -1.718 1.00 0.00 H new ATOM 139 N ARG A 11 -3.999 -1.984 -5.166 1.00 0.00 N ATOM 140 CA ARG A 11 -4.328 -0.564 -5.261 1.00 0.00 C ATOM 141 C ARG A 11 -5.095 -0.067 -4.040 1.00 0.00 C ATOM 142 O ARG A 11 -4.900 1.071 -3.597 1.00 0.00 O ATOM 143 CB ARG A 11 -5.121 -0.300 -6.533 1.00 0.00 C ATOM 144 CG ARG A 11 -5.452 1.161 -6.766 1.00 0.00 C ATOM 145 CD ARG A 11 -6.168 1.352 -8.079 1.00 0.00 C ATOM 146 NE ARG A 11 -5.337 0.967 -9.226 1.00 0.00 N ATOM 147 CZ ARG A 11 -5.738 0.978 -10.499 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.996 1.308 -10.797 1.00 0.00 N ATOM 149 NH2 ARG A 11 -4.880 0.671 -11.466 1.00 0.00 N ATOM 0 H ARG A 11 -4.356 -2.527 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.391 -0.009 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.554 -0.673 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.049 -0.870 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.075 1.530 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.535 1.751 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.083 0.760 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.463 2.396 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.380 0.668 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.649 1.551 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.304 1.317 -11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.917 0.427 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.185 0.679 -12.439 1.00 0.00 H new ATOM 163 N LEU A 12 -5.925 -0.935 -3.472 1.00 0.00 N ATOM 164 CA LEU A 12 -6.705 -0.603 -2.282 1.00 0.00 C ATOM 165 C LEU A 12 -5.779 -0.319 -1.104 1.00 0.00 C ATOM 166 O LEU A 12 -6.140 0.382 -0.169 1.00 0.00 O ATOM 167 CB LEU A 12 -7.669 -1.733 -1.933 1.00 0.00 C ATOM 168 CG LEU A 12 -8.730 -2.072 -2.982 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.556 -3.256 -2.531 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.628 -0.877 -3.251 1.00 0.00 C ATOM 0 H LEU A 12 -6.077 -1.882 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.288 0.293 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.085 -2.632 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.178 -1.473 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.220 -2.331 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.307 -3.485 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.907 -4.120 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.051 -3.017 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.374 -1.144 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.129 -0.583 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.027 -0.045 -3.618 1.00 0.00 H new ATOM 182 N CYS A 13 -4.598 -0.863 -1.162 1.00 0.00 N ATOM 183 CA CYS A 13 -3.607 -0.611 -0.166 1.00 0.00 C ATOM 184 C CYS A 13 -2.804 0.644 -0.536 1.00 0.00 C ATOM 185 O CYS A 13 -2.611 1.536 0.290 1.00 0.00 O ATOM 186 CB CYS A 13 -2.708 -1.831 -0.008 1.00 0.00 C ATOM 187 SG CYS A 13 -1.272 -1.562 1.046 1.00 0.00 S ATOM 0 H CYS A 13 -4.298 -1.495 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.089 -0.427 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.297 -2.651 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.367 -2.146 -0.994 1.00 0.00 H new ATOM 192 N VAL A 14 -2.414 0.735 -1.813 1.00 0.00 N ATOM 193 CA VAL A 14 -1.600 1.850 -2.339 1.00 0.00 C ATOM 194 C VAL A 14 -2.255 3.212 -2.048 1.00 0.00 C ATOM 195 O VAL A 14 -1.577 4.179 -1.648 1.00 0.00 O ATOM 196 CB VAL A 14 -1.393 1.716 -3.873 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.478 2.812 -4.409 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.856 0.340 -4.242 1.00 0.00 C ATOM 0 H VAL A 14 -2.652 0.037 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.636 1.800 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.370 1.834 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.354 2.689 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.920 3.787 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.495 2.744 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.722 0.279 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.102 0.179 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.563 -0.425 -3.920 1.00 0.00 H new ATOM 208 N VAL A 15 -3.576 3.266 -2.210 1.00 0.00 N ATOM 209 CA VAL A 15 -4.345 4.489 -1.984 1.00 0.00 C ATOM 210 C VAL A 15 -4.198 4.989 -0.530 1.00 0.00 C ATOM 211 O VAL A 15 -4.218 6.185 -0.274 1.00 0.00 O ATOM 212 CB VAL A 15 -5.851 4.308 -2.360 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.554 3.317 -1.450 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.585 5.639 -2.391 1.00 0.00 C ATOM 0 H VAL A 15 -4.141 2.468 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.930 5.250 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.873 3.892 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.598 3.225 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.067 2.345 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.503 3.669 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.629 5.473 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.530 6.108 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.123 6.292 -3.131 1.00 0.00 H new ATOM 224 N HIS A 16 -3.975 4.065 0.397 1.00 0.00 N ATOM 225 CA HIS A 16 -3.798 4.409 1.802 1.00 0.00 C ATOM 226 C HIS A 16 -2.481 5.142 1.982 1.00 0.00 C ATOM 227 O HIS A 16 -2.405 6.164 2.669 1.00 0.00 O ATOM 228 CB HIS A 16 -3.870 3.141 2.679 1.00 0.00 C ATOM 229 CG HIS A 16 -3.451 3.319 4.119 1.00 0.00 C ATOM 230 ND1 HIS A 16 -4.194 3.969 5.074 1.00 0.00 N ATOM 231 CD2 HIS A 16 -2.321 2.906 4.742 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.508 3.935 6.224 1.00 0.00 C ATOM 233 NE2 HIS A 16 -2.363 3.295 6.075 1.00 0.00 N ATOM 0 H HIS A 16 -3.912 3.066 0.199 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.603 5.071 2.121 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.893 2.766 2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.241 2.373 2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.514 2.360 4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.847 4.373 7.151 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.656 3.122 6.790 1.00 0.00 H new ATOM 241 N CYS A 17 -1.468 4.650 1.315 1.00 0.00 N ATOM 242 CA CYS A 17 -0.154 5.249 1.353 1.00 0.00 C ATOM 243 C CYS A 17 -0.224 6.650 0.751 1.00 0.00 C ATOM 244 O CYS A 17 0.313 7.620 1.312 1.00 0.00 O ATOM 245 CB CYS A 17 0.812 4.373 0.568 1.00 0.00 C ATOM 246 SG CYS A 17 0.789 2.620 1.080 1.00 0.00 S ATOM 0 H CYS A 17 -1.530 3.819 0.727 1.00 0.00 H new ATOM 0 HA CYS A 17 0.198 5.328 2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.568 4.437 -0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.822 4.764 0.686 1.00 0.00 H new ATOM 251 N LEU A 18 -0.953 6.769 -0.345 1.00 0.00 N ATOM 252 CA LEU A 18 -1.117 8.044 -1.031 1.00 0.00 C ATOM 253 C LEU A 18 -1.942 9.020 -0.176 1.00 0.00 C ATOM 254 O LEU A 18 -1.710 10.235 -0.197 1.00 0.00 O ATOM 255 CB LEU A 18 -1.783 7.827 -2.391 1.00 0.00 C ATOM 256 CG LEU A 18 -1.072 6.847 -3.339 1.00 0.00 C ATOM 257 CD1 LEU A 18 -1.835 6.710 -4.643 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.368 7.276 -3.599 1.00 0.00 C ATOM 0 H LEU A 18 -1.446 5.992 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.132 8.482 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.798 7.468 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.865 8.792 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.047 5.872 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.314 6.012 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.839 6.336 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.902 7.683 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.844 6.563 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.376 8.266 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.915 7.305 -2.656 1.00 0.00 H new ATOM 270 N ALA A 19 -2.864 8.477 0.601 1.00 0.00 N ATOM 271 CA ALA A 19 -3.677 9.265 1.515 1.00 0.00 C ATOM 272 C ALA A 19 -2.827 9.807 2.658 1.00 0.00 C ATOM 273 O ALA A 19 -2.976 10.966 3.071 1.00 0.00 O ATOM 274 CB ALA A 19 -4.827 8.428 2.060 1.00 0.00 C ATOM 0 H ALA A 19 -3.071 7.478 0.617 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.092 10.109 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.425 9.032 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.452 8.086 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.428 7.566 2.594 1.00 0.00 H new ATOM 280 N LYS A 20 -1.927 8.975 3.164 1.00 0.00 N ATOM 281 CA LYS A 20 -1.028 9.383 4.241 1.00 0.00 C ATOM 282 C LYS A 20 0.000 10.379 3.717 1.00 0.00 C ATOM 283 O LYS A 20 0.520 11.204 4.468 1.00 0.00 O ATOM 284 CB LYS A 20 -0.319 8.176 4.866 1.00 0.00 C ATOM 285 CG LYS A 20 -1.263 7.115 5.418 1.00 0.00 C ATOM 286 CD LYS A 20 -0.510 5.961 6.066 1.00 0.00 C ATOM 287 CE LYS A 20 0.122 6.348 7.397 1.00 0.00 C ATOM 288 NZ LYS A 20 -0.889 6.679 8.426 1.00 0.00 N ATOM 0 H LYS A 20 -1.798 8.014 2.848 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.629 9.859 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.325 7.718 4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.328 8.525 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.930 7.569 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.889 6.732 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.195 5.127 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.268 5.612 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.744 5.527 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.780 7.205 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.440 6.687 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.292 7.617 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.646 5.966 8.411 1.00 0.00 H new ATOM 302 N GLY A 21 0.292 10.284 2.438 1.00 0.00 N ATOM 303 CA GLY A 21 1.195 11.225 1.809 1.00 0.00 C ATOM 304 C GLY A 21 2.513 10.593 1.470 1.00 0.00 C ATOM 305 O GLY A 21 3.548 11.244 1.483 1.00 0.00 O ATOM 0 H GLY A 21 -0.081 9.568 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.736 11.617 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.359 12.072 2.475 1.00 0.00 H new ATOM 309 N PHE A 22 2.473 9.320 1.181 1.00 0.00 N ATOM 310 CA PHE A 22 3.647 8.571 0.824 1.00 0.00 C ATOM 311 C PHE A 22 3.981 8.681 -0.628 1.00 0.00 C ATOM 312 O PHE A 22 3.143 9.061 -1.449 1.00 0.00 O ATOM 313 CB PHE A 22 3.505 7.106 1.228 1.00 0.00 C ATOM 314 CG PHE A 22 3.994 6.849 2.589 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.342 6.733 2.803 1.00 0.00 C ATOM 316 CD2 PHE A 22 3.129 6.713 3.653 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.837 6.490 4.040 1.00 0.00 C ATOM 318 CE2 PHE A 22 3.617 6.466 4.914 1.00 0.00 C ATOM 319 CZ PHE A 22 4.978 6.353 5.110 1.00 0.00 C ATOM 0 H PHE A 22 1.615 8.768 1.187 1.00 0.00 H new ATOM 0 HA PHE A 22 4.476 9.012 1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.457 6.814 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.056 6.483 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.022 6.837 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.064 6.801 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.903 6.404 4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.938 6.361 5.747 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.369 6.158 6.098 1.00 0.00 H new ATOM 329 N ARG A 23 5.214 8.319 -0.942 1.00 0.00 N ATOM 330 CA ARG A 23 5.712 8.318 -2.308 1.00 0.00 C ATOM 331 C ARG A 23 5.096 7.136 -3.037 1.00 0.00 C ATOM 332 O ARG A 23 5.024 7.105 -4.271 1.00 0.00 O ATOM 333 CB ARG A 23 7.229 8.161 -2.319 1.00 0.00 C ATOM 334 CG ARG A 23 7.952 9.010 -1.301 1.00 0.00 C ATOM 335 CD ARG A 23 9.449 8.818 -1.382 1.00 0.00 C ATOM 336 NE ARG A 23 10.036 9.519 -2.525 1.00 0.00 N ATOM 337 CZ ARG A 23 10.839 8.975 -3.437 1.00 0.00 C ATOM 338 NH1 ARG A 23 10.921 7.663 -3.558 1.00 0.00 N ATOM 339 NH2 ARG A 23 11.498 9.751 -4.292 1.00 0.00 N ATOM 0 H ARG A 23 5.902 8.016 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 23 5.448 9.259 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.475 7.114 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.601 8.411 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.710 10.060 -1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.605 8.754 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.910 9.177 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.673 7.754 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 23 9.811 10.508 -2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.367 7.059 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.538 7.253 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.389 10.764 -4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.113 9.333 -4.990 1.00 0.00 H new ATOM 353 N GLY A 24 4.609 6.184 -2.259 1.00 0.00 N ATOM 354 CA GLY A 24 3.996 5.034 -2.817 1.00 0.00 C ATOM 355 C GLY A 24 3.903 3.912 -1.831 1.00 0.00 C ATOM 356 O GLY A 24 4.562 3.937 -0.749 1.00 0.00 O ATOM 0 H GLY A 24 4.636 6.203 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.997 5.291 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.565 4.706 -3.687 1.00 0.00 H new ATOM 360 N GLY A 25 3.090 2.950 -2.168 1.00 0.00 N ATOM 361 CA GLY A 25 2.825 1.852 -1.309 1.00 0.00 C ATOM 362 C GLY A 25 2.637 0.593 -2.088 1.00 0.00 C ATOM 363 O GLY A 25 2.257 0.638 -3.268 1.00 0.00 O ATOM 0 H GLY A 25 2.592 2.915 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.649 1.729 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.931 2.055 -0.719 1.00 0.00 H new ATOM 367 N TRP A 26 2.902 -0.517 -1.459 1.00 0.00 N ATOM 368 CA TRP A 26 2.824 -1.792 -2.104 1.00 0.00 C ATOM 369 C TRP A 26 2.758 -2.887 -1.073 1.00 0.00 C ATOM 370 O TRP A 26 3.358 -2.791 0.007 1.00 0.00 O ATOM 371 CB TRP A 26 4.054 -2.026 -3.042 1.00 0.00 C ATOM 372 CG TRP A 26 5.397 -2.265 -2.350 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.168 -3.390 -2.438 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.108 -1.375 -1.464 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.311 -3.235 -1.684 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.289 -2.017 -1.080 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.858 -0.105 -0.973 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.212 -1.424 -0.227 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.758 0.487 -0.127 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.927 -0.170 0.240 1.00 0.00 C ATOM 0 H TRP A 26 3.180 -0.560 -0.478 1.00 0.00 H new ATOM 0 HA TRP A 26 1.920 -1.808 -2.712 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.840 -2.884 -3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.155 -1.160 -3.696 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.919 -4.270 -3.013 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.056 -3.925 -1.593 1.00 0.00 H new ATOM 0 HE3 TRP A 26 4.956 0.417 -1.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.121 -1.934 0.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.557 1.475 0.259 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.623 0.318 0.906 1.00 0.00 H new ATOM 391 N CYS A 27 1.991 -3.877 -1.361 1.00 0.00 N ATOM 392 CA CYS A 27 1.991 -5.063 -0.571 1.00 0.00 C ATOM 393 C CYS A 27 3.084 -5.913 -1.077 1.00 0.00 C ATOM 394 O CYS A 27 3.109 -6.213 -2.265 1.00 0.00 O ATOM 395 CB CYS A 27 0.688 -5.796 -0.715 1.00 0.00 C ATOM 396 SG CYS A 27 -0.708 -4.886 -0.074 1.00 0.00 S ATOM 0 H CYS A 27 1.345 -3.891 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 27 2.125 -4.817 0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.517 -6.015 -1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.758 -6.753 -0.197 1.00 0.00 H new ATOM 401 N ASP A 28 3.994 -6.283 -0.235 1.00 0.00 N ATOM 402 CA ASP A 28 5.117 -7.074 -0.712 1.00 0.00 C ATOM 403 C ASP A 28 4.785 -8.561 -0.595 1.00 0.00 C ATOM 404 O ASP A 28 3.634 -8.919 -0.291 1.00 0.00 O ATOM 405 CB ASP A 28 6.423 -6.722 0.023 1.00 0.00 C ATOM 406 CG ASP A 28 6.537 -7.313 1.398 1.00 0.00 C ATOM 407 OD1 ASP A 28 5.977 -6.763 2.355 1.00 0.00 O ATOM 408 OD2 ASP A 28 7.232 -8.328 1.539 1.00 0.00 O ATOM 0 H ASP A 28 3.998 -6.066 0.762 1.00 0.00 H new ATOM 0 HA ASP A 28 5.285 -6.835 -1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.267 -7.062 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.503 -5.638 0.099 1.00 0.00 H new ATOM 413 N SER A 29 5.773 -9.419 -0.826 1.00 0.00 N ATOM 414 CA SER A 29 5.621 -10.877 -0.794 1.00 0.00 C ATOM 415 C SER A 29 5.087 -11.374 0.575 1.00 0.00 C ATOM 416 O SER A 29 4.525 -12.472 0.687 1.00 0.00 O ATOM 417 CB SER A 29 6.978 -11.492 -1.073 1.00 0.00 C ATOM 418 OG SER A 29 7.624 -10.802 -2.145 1.00 0.00 O ATOM 0 H SER A 29 6.723 -9.119 -1.046 1.00 0.00 H new ATOM 0 HA SER A 29 4.892 -11.176 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.597 -11.446 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.862 -12.546 -1.327 1.00 0.00 H new ATOM 0 HG SER A 29 8.500 -11.208 -2.314 1.00 0.00 H new ATOM 424 N ARG A 30 5.256 -10.551 1.596 1.00 0.00 N ATOM 425 CA ARG A 30 4.791 -10.839 2.949 1.00 0.00 C ATOM 426 C ARG A 30 3.285 -10.646 3.087 1.00 0.00 C ATOM 427 O ARG A 30 2.731 -10.947 4.137 1.00 0.00 O ATOM 428 CB ARG A 30 5.467 -9.892 3.919 1.00 0.00 C ATOM 429 CG ARG A 30 6.945 -10.109 4.109 1.00 0.00 C ATOM 430 CD ARG A 30 7.599 -8.843 4.628 1.00 0.00 C ATOM 431 NE ARG A 30 6.965 -8.311 5.839 1.00 0.00 N ATOM 432 CZ ARG A 30 6.611 -7.027 6.002 1.00 0.00 C ATOM 433 NH1 ARG A 30 6.456 -6.231 4.939 1.00 0.00 N ATOM 434 NH2 ARG A 30 6.286 -6.586 7.202 1.00 0.00 N ATOM 0 H ARG A 30 5.726 -9.650 1.511 1.00 0.00 H new ATOM 0 HA ARG A 30 5.035 -11.879 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.308 -8.870 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.976 -9.980 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.113 -10.927 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.401 -10.401 3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.650 -9.045 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.570 -8.082 3.848 1.00 0.00 H new ATOM 0 HE ARG A 30 6.782 -8.958 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.607 -6.599 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.187 -5.256 5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.305 -7.220 8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.016 -5.611 7.331 1.00 0.00 H new ATOM 448 N LYS A 31 2.632 -10.109 2.033 1.00 0.00 N ATOM 449 CA LYS A 31 1.183 -9.793 2.052 1.00 0.00 C ATOM 450 C LYS A 31 0.924 -8.647 3.030 1.00 0.00 C ATOM 451 O LYS A 31 -0.189 -8.463 3.536 1.00 0.00 O ATOM 452 CB LYS A 31 0.326 -11.026 2.428 1.00 0.00 C ATOM 453 CG LYS A 31 0.315 -12.161 1.413 1.00 0.00 C ATOM 454 CD LYS A 31 -0.470 -11.798 0.159 1.00 0.00 C ATOM 455 CE LYS A 31 -0.591 -13.000 -0.766 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.503 -12.748 -1.905 1.00 0.00 N ATOM 0 H LYS A 31 3.089 -9.883 1.150 1.00 0.00 H new ATOM 0 HA LYS A 31 0.889 -9.492 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.686 -11.418 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.701 -10.696 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.340 -12.412 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.120 -13.050 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.463 -11.444 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.026 -10.980 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.396 -13.263 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.952 -13.857 -0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.156 -13.551 -2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.048 -11.880 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.947 -12.636 -2.777 1.00 0.00 H new ATOM 470 N VAL A 32 1.950 -7.877 3.272 1.00 0.00 N ATOM 471 CA VAL A 32 1.881 -6.759 4.167 1.00 0.00 C ATOM 472 C VAL A 32 1.982 -5.484 3.367 1.00 0.00 C ATOM 473 O VAL A 32 2.739 -5.417 2.361 1.00 0.00 O ATOM 474 CB VAL A 32 3.015 -6.814 5.246 1.00 0.00 C ATOM 475 CG1 VAL A 32 2.957 -5.619 6.196 1.00 0.00 C ATOM 476 CG2 VAL A 32 2.938 -8.110 6.042 1.00 0.00 C ATOM 0 H VAL A 32 2.867 -8.012 2.847 1.00 0.00 H new ATOM 0 HA VAL A 32 0.928 -6.793 4.696 1.00 0.00 H new ATOM 0 HB VAL A 32 3.965 -6.775 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.761 -5.697 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.072 -4.696 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.997 -5.610 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.734 -8.128 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.972 -8.172 6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.052 -8.959 5.368 1.00 0.00 H new ATOM 486 N CYS A 33 1.186 -4.522 3.771 1.00 0.00 N ATOM 487 CA CYS A 33 1.174 -3.211 3.203 1.00 0.00 C ATOM 488 C CYS A 33 2.374 -2.421 3.656 1.00 0.00 C ATOM 489 O CYS A 33 2.601 -2.247 4.857 1.00 0.00 O ATOM 490 CB CYS A 33 -0.112 -2.472 3.584 1.00 0.00 C ATOM 491 SG CYS A 33 -1.524 -2.867 2.558 1.00 0.00 S ATOM 0 H CYS A 33 0.512 -4.642 4.527 1.00 0.00 H new ATOM 0 HA CYS A 33 1.214 -3.313 2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.356 -2.703 4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.071 -1.399 3.531 1.00 0.00 H new ATOM 496 N ASN A 34 3.159 -1.992 2.721 1.00 0.00 N ATOM 497 CA ASN A 34 4.299 -1.171 3.016 1.00 0.00 C ATOM 498 C ASN A 34 4.118 0.128 2.300 1.00 0.00 C ATOM 499 O ASN A 34 3.792 0.138 1.125 1.00 0.00 O ATOM 500 CB ASN A 34 5.607 -1.796 2.506 1.00 0.00 C ATOM 501 CG ASN A 34 5.851 -3.215 2.945 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.428 -3.478 4.010 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.467 -4.137 2.118 1.00 0.00 N ATOM 0 H ASN A 34 3.032 -2.198 1.730 1.00 0.00 H new ATOM 0 HA ASN A 34 4.367 -1.055 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.606 -1.764 1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.441 -1.180 2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.637 -5.119 2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.995 -3.880 1.251 1.00 0.00 H new ATOM 510 N CYS A 35 4.220 1.199 2.993 1.00 0.00 N ATOM 511 CA CYS A 35 4.221 2.500 2.372 1.00 0.00 C ATOM 512 C CYS A 35 5.573 3.118 2.652 1.00 0.00 C ATOM 513 O CYS A 35 5.945 3.232 3.825 1.00 0.00 O ATOM 514 CB CYS A 35 3.107 3.371 2.956 1.00 0.00 C ATOM 515 SG CYS A 35 1.437 2.617 3.004 1.00 0.00 S ATOM 0 H CYS A 35 4.306 1.215 4.009 1.00 0.00 H new ATOM 0 HA CYS A 35 4.044 2.419 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.387 3.651 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.051 4.292 2.376 1.00 0.00 H new ATOM 520 N ARG A 36 6.317 3.513 1.604 1.00 0.00 N ATOM 521 CA ARG A 36 7.675 4.063 1.802 1.00 0.00 C ATOM 522 C ARG A 36 8.346 4.401 0.483 1.00 0.00 C ATOM 523 O ARG A 36 8.908 5.488 0.319 1.00 0.00 O ATOM 524 CB ARG A 36 8.576 3.055 2.555 1.00 0.00 C ATOM 525 CG ARG A 36 9.983 3.558 2.841 1.00 0.00 C ATOM 526 CD ARG A 36 10.803 2.522 3.592 1.00 0.00 C ATOM 527 NE ARG A 36 10.248 2.230 4.919 1.00 0.00 N ATOM 528 CZ ARG A 36 10.508 1.134 5.643 1.00 0.00 C ATOM 529 NH1 ARG A 36 11.304 0.175 5.168 1.00 0.00 N ATOM 530 NH2 ARG A 36 9.974 0.999 6.847 1.00 0.00 N ATOM 0 H ARG A 36 6.013 3.465 0.632 1.00 0.00 H new ATOM 0 HA ARG A 36 7.555 4.973 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.098 2.795 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.644 2.139 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.479 3.806 1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.930 4.476 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.846 1.603 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.827 2.880 3.699 1.00 0.00 H new ATOM 0 HE ARG A 36 9.612 2.918 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.723 0.272 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.494 -0.655 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.367 1.729 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.170 0.165 7.401 1.00 0.00 H new ATOM 544 N ARG A 37 8.287 3.466 -0.432 1.00 0.00 N ATOM 545 CA ARG A 37 9.018 3.543 -1.671 1.00 0.00 C ATOM 546 C ARG A 37 8.597 4.714 -2.546 1.00 0.00 C ATOM 547 O ARG A 37 7.444 4.764 -2.988 1.00 0.00 O ATOM 548 CB ARG A 37 9.000 2.204 -2.418 1.00 0.00 C ATOM 549 CG ARG A 37 7.688 1.796 -3.044 1.00 0.00 C ATOM 550 CD ARG A 37 7.838 0.515 -3.853 1.00 0.00 C ATOM 551 NE ARG A 37 8.825 0.638 -4.931 1.00 0.00 N ATOM 552 CZ ARG A 37 9.382 -0.396 -5.572 1.00 0.00 C ATOM 553 NH1 ARG A 37 9.062 -1.648 -5.231 1.00 0.00 N ATOM 554 NH2 ARG A 37 10.273 -0.179 -6.540 1.00 0.00 N ATOM 555 OXT ARG A 37 9.450 5.573 -2.823 1.00 0.00 O ATOM 0 H ARG A 37 7.724 2.621 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 37 10.056 3.748 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.755 2.242 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.303 1.422 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.940 1.651 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.326 2.596 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.132 -0.297 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.872 0.244 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 37 9.106 1.577 -5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.392 -1.817 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.488 -2.435 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.530 0.775 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.698 -0.967 -7.029 1.00 0.00 H new TER 569 ARG A 37