USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 278 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HE2:sc= -2.2! C(o=-2.2!,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.0468 (180deg=-0.287) USER MOD Single : A 34 ASN : amide:sc= 1.2 K(o=1.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -5.859 -1.907 5.422 1.00 0.00 N ATOM 11 CA ILE A 2 -4.878 -2.419 4.501 1.00 0.00 C ATOM 12 C ILE A 2 -4.840 -3.931 4.510 1.00 0.00 C ATOM 13 O ILE A 2 -4.658 -4.566 5.546 1.00 0.00 O ATOM 14 CB ILE A 2 -3.478 -1.825 4.744 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.129 -1.808 6.250 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.366 -0.452 4.109 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.787 -1.187 6.579 1.00 0.00 C ATOM 0 HA ILE A 2 -5.191 -2.099 3.507 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.740 -2.467 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.908 -1.263 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.143 -2.832 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.370 -0.047 4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.535 -0.533 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.113 0.212 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.626 -1.218 7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.996 -1.744 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.772 -0.151 6.240 1.00 0.00 H new ATOM 29 N THR A 3 -5.070 -4.483 3.375 1.00 0.00 N ATOM 30 CA THR A 3 -5.082 -5.895 3.175 1.00 0.00 C ATOM 31 C THR A 3 -4.474 -6.140 1.812 1.00 0.00 C ATOM 32 O THR A 3 -4.647 -5.319 0.922 1.00 0.00 O ATOM 33 CB THR A 3 -6.545 -6.416 3.193 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.197 -5.991 4.403 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.596 -7.936 3.111 1.00 0.00 C ATOM 0 H THR A 3 -5.262 -3.950 2.527 1.00 0.00 H new ATOM 0 HA THR A 3 -4.526 -6.410 3.959 1.00 0.00 H new ATOM 0 HB THR A 3 -7.056 -6.004 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.120 -6.320 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.635 -8.267 3.126 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.123 -8.267 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.067 -8.364 3.962 1.00 0.00 H new ATOM 43 N CYS A 4 -3.747 -7.200 1.656 1.00 0.00 N ATOM 44 CA CYS A 4 -3.174 -7.501 0.380 1.00 0.00 C ATOM 45 C CYS A 4 -3.630 -8.831 -0.096 1.00 0.00 C ATOM 46 O CYS A 4 -3.337 -9.857 0.523 1.00 0.00 O ATOM 47 CB CYS A 4 -1.663 -7.472 0.430 1.00 0.00 C ATOM 48 SG CYS A 4 -0.980 -5.874 0.902 1.00 0.00 S ATOM 0 H CYS A 4 -3.535 -7.872 2.394 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.510 -6.733 -0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.318 -8.227 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.271 -7.749 -0.549 1.00 0.00 H new ATOM 53 N ASP A 5 -4.381 -8.826 -1.142 1.00 0.00 N ATOM 54 CA ASP A 5 -4.784 -10.049 -1.786 1.00 0.00 C ATOM 55 C ASP A 5 -4.044 -10.117 -3.092 1.00 0.00 C ATOM 56 O ASP A 5 -3.726 -11.192 -3.618 1.00 0.00 O ATOM 57 CB ASP A 5 -6.280 -10.089 -2.021 1.00 0.00 C ATOM 58 CG ASP A 5 -6.720 -11.426 -2.552 1.00 0.00 C ATOM 59 OD1 ASP A 5 -6.642 -12.426 -1.797 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.188 -11.506 -3.708 1.00 0.00 O ATOM 0 H ASP A 5 -4.739 -7.979 -1.583 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.548 -10.904 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.802 -9.878 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.559 -9.306 -2.726 1.00 0.00 H new ATOM 65 N LEU A 6 -3.751 -8.952 -3.596 1.00 0.00 N ATOM 66 CA LEU A 6 -2.959 -8.780 -4.744 1.00 0.00 C ATOM 67 C LEU A 6 -1.672 -8.128 -4.290 1.00 0.00 C ATOM 68 O LEU A 6 -1.560 -7.698 -3.140 1.00 0.00 O ATOM 69 CB LEU A 6 -3.687 -7.890 -5.756 1.00 0.00 C ATOM 70 CG LEU A 6 -5.015 -8.428 -6.306 1.00 0.00 C ATOM 71 CD1 LEU A 6 -5.660 -7.406 -7.225 1.00 0.00 C ATOM 72 CD2 LEU A 6 -4.805 -9.745 -7.045 1.00 0.00 C ATOM 0 H LEU A 6 -4.077 -8.074 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.758 -9.733 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.877 -6.925 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.017 -7.710 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.681 -8.612 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.601 -7.803 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.852 -6.488 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.991 -7.193 -8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.761 -10.105 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.119 -9.590 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.385 -10.483 -6.361 1.00 0.00 H new ATOM 84 N ILE A 7 -0.716 -8.090 -5.138 1.00 0.00 N ATOM 85 CA ILE A 7 0.549 -7.473 -4.855 1.00 0.00 C ATOM 86 C ILE A 7 0.857 -6.491 -5.964 1.00 0.00 C ATOM 87 O ILE A 7 0.886 -6.858 -7.139 1.00 0.00 O ATOM 88 CB ILE A 7 1.681 -8.527 -4.740 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.330 -9.553 -3.651 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.012 -7.851 -4.438 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.383 -10.611 -3.414 1.00 0.00 C ATOM 0 H ILE A 7 -0.779 -8.492 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 7 0.490 -6.958 -3.896 1.00 0.00 H new ATOM 0 HB ILE A 7 1.777 -9.048 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.151 -9.022 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.396 -10.045 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.794 -8.606 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.257 -7.155 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.938 -7.307 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.047 -11.289 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.548 -11.173 -4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.315 -10.135 -3.108 1.00 0.00 H new ATOM 103 N GLY A 8 0.987 -5.233 -5.609 1.00 0.00 N ATOM 104 CA GLY A 8 1.269 -4.185 -6.592 1.00 0.00 C ATOM 105 C GLY A 8 0.009 -3.703 -7.278 1.00 0.00 C ATOM 106 O GLY A 8 -0.178 -2.519 -7.509 1.00 0.00 O ATOM 0 H GLY A 8 0.904 -4.900 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.758 -3.345 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.966 -4.565 -7.338 1.00 0.00 H new ATOM 110 N ASN A 9 -0.875 -4.639 -7.551 1.00 0.00 N ATOM 111 CA ASN A 9 -2.168 -4.369 -8.173 1.00 0.00 C ATOM 112 C ASN A 9 -3.161 -4.098 -7.078 1.00 0.00 C ATOM 113 O ASN A 9 -4.336 -3.829 -7.305 1.00 0.00 O ATOM 114 CB ASN A 9 -2.638 -5.574 -9.002 1.00 0.00 C ATOM 115 CG ASN A 9 -1.701 -5.922 -10.144 1.00 0.00 C ATOM 116 OD1 ASN A 9 -1.819 -5.380 -11.242 1.00 0.00 O ATOM 117 ND2 ASN A 9 -0.790 -6.845 -9.917 1.00 0.00 N ATOM 0 H ASN A 9 -0.720 -5.626 -7.347 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.080 -3.512 -8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.738 -6.440 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.628 -5.364 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.156 -7.130 -10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.718 -7.275 -8.995 1.00 0.00 H new ATOM 124 N GLU A 10 -2.652 -4.154 -5.883 1.00 0.00 N ATOM 125 CA GLU A 10 -3.396 -3.961 -4.688 1.00 0.00 C ATOM 126 C GLU A 10 -3.486 -2.460 -4.417 1.00 0.00 C ATOM 127 O GLU A 10 -2.907 -1.920 -3.460 1.00 0.00 O ATOM 128 CB GLU A 10 -2.677 -4.701 -3.568 1.00 0.00 C ATOM 129 CG GLU A 10 -3.416 -4.760 -2.272 1.00 0.00 C ATOM 130 CD GLU A 10 -4.786 -5.361 -2.429 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.768 -4.596 -2.472 1.00 0.00 O ATOM 132 OE2 GLU A 10 -4.908 -6.605 -2.547 1.00 0.00 O ATOM 0 H GLU A 10 -1.664 -4.344 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.411 -4.352 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.473 -5.719 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.713 -4.222 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.843 -5.347 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.507 -3.755 -1.861 1.00 0.00 H new ATOM 139 N ARG A 11 -4.200 -1.785 -5.290 1.00 0.00 N ATOM 140 CA ARG A 11 -4.312 -0.339 -5.261 1.00 0.00 C ATOM 141 C ARG A 11 -5.058 0.113 -4.009 1.00 0.00 C ATOM 142 O ARG A 11 -4.854 1.223 -3.529 1.00 0.00 O ATOM 143 CB ARG A 11 -4.989 0.161 -6.540 1.00 0.00 C ATOM 144 CG ARG A 11 -4.885 1.664 -6.799 1.00 0.00 C ATOM 145 CD ARG A 11 -3.430 2.122 -6.901 1.00 0.00 C ATOM 146 NE ARG A 11 -2.652 1.296 -7.838 1.00 0.00 N ATOM 147 CZ ARG A 11 -1.350 1.445 -8.123 1.00 0.00 C ATOM 148 NH1 ARG A 11 -0.667 2.497 -7.673 1.00 0.00 N ATOM 149 NH2 ARG A 11 -0.748 0.552 -8.893 1.00 0.00 N ATOM 0 H ARG A 11 -4.724 -2.225 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.314 0.098 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.555 -0.367 -7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.044 -0.111 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.410 1.911 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.382 2.207 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.400 3.162 -7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.968 2.082 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.148 0.542 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.134 3.203 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.323 2.597 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.274 -0.240 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.242 0.656 -9.116 1.00 0.00 H new ATOM 163 N LEU A 12 -5.863 -0.787 -3.451 1.00 0.00 N ATOM 164 CA LEU A 12 -6.592 -0.532 -2.211 1.00 0.00 C ATOM 165 C LEU A 12 -5.619 -0.360 -1.038 1.00 0.00 C ATOM 166 O LEU A 12 -5.934 0.296 -0.040 1.00 0.00 O ATOM 167 CB LEU A 12 -7.582 -1.660 -1.924 1.00 0.00 C ATOM 168 CG LEU A 12 -8.714 -1.844 -2.939 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.578 -3.035 -2.558 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.562 -0.582 -3.032 1.00 0.00 C ATOM 0 H LEU A 12 -6.029 -1.713 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.154 0.394 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.026 -2.595 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.026 -1.484 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.271 -2.033 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.378 -3.153 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.967 -3.937 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.010 -2.870 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.361 -0.733 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.995 -0.362 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.937 0.254 -3.348 1.00 0.00 H new ATOM 182 N CYS A 13 -4.443 -0.925 -1.171 1.00 0.00 N ATOM 183 CA CYS A 13 -3.420 -0.760 -0.176 1.00 0.00 C ATOM 184 C CYS A 13 -2.625 0.510 -0.477 1.00 0.00 C ATOM 185 O CYS A 13 -2.454 1.371 0.386 1.00 0.00 O ATOM 186 CB CYS A 13 -2.514 -1.996 -0.133 1.00 0.00 C ATOM 187 SG CYS A 13 -1.027 -1.817 0.880 1.00 0.00 S ATOM 0 H CYS A 13 -4.173 -1.506 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.876 -0.657 0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.093 -2.839 0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.214 -2.244 -1.151 1.00 0.00 H new ATOM 192 N VAL A 14 -2.236 0.662 -1.742 1.00 0.00 N ATOM 193 CA VAL A 14 -1.417 1.795 -2.207 1.00 0.00 C ATOM 194 C VAL A 14 -2.099 3.148 -1.906 1.00 0.00 C ATOM 195 O VAL A 14 -1.432 4.139 -1.567 1.00 0.00 O ATOM 196 CB VAL A 14 -1.149 1.704 -3.733 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.172 2.779 -4.193 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.659 0.318 -4.137 1.00 0.00 C ATOM 0 H VAL A 14 -2.478 0.003 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.473 1.740 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.101 1.879 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.007 2.686 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.585 3.764 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.776 2.658 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.482 0.294 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.269 0.093 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.413 -0.425 -3.876 1.00 0.00 H new ATOM 208 N VAL A 15 -3.422 3.175 -2.000 1.00 0.00 N ATOM 209 CA VAL A 15 -4.194 4.387 -1.758 1.00 0.00 C ATOM 210 C VAL A 15 -4.058 4.860 -0.296 1.00 0.00 C ATOM 211 O VAL A 15 -4.156 6.042 -0.012 1.00 0.00 O ATOM 212 CB VAL A 15 -5.688 4.214 -2.157 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.404 3.219 -1.280 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.415 5.539 -2.183 1.00 0.00 C ATOM 0 H VAL A 15 -3.988 2.362 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.776 5.163 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.693 3.810 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.443 3.134 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.919 2.246 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.369 3.556 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.455 5.378 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.374 5.996 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.940 6.200 -2.908 1.00 0.00 H new ATOM 224 N HIS A 16 -3.770 3.936 0.604 1.00 0.00 N ATOM 225 CA HIS A 16 -3.562 4.269 2.010 1.00 0.00 C ATOM 226 C HIS A 16 -2.252 5.043 2.153 1.00 0.00 C ATOM 227 O HIS A 16 -2.143 6.011 2.916 1.00 0.00 O ATOM 228 CB HIS A 16 -3.556 2.983 2.854 1.00 0.00 C ATOM 229 CG HIS A 16 -3.158 3.154 4.285 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.942 3.744 5.246 1.00 0.00 N ATOM 231 CD2 HIS A 16 -2.016 2.788 4.905 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.269 3.718 6.394 1.00 0.00 C ATOM 233 NE2 HIS A 16 -2.092 3.143 6.242 1.00 0.00 N ATOM 0 H HIS A 16 -3.674 2.944 0.389 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.374 4.899 2.373 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.553 2.544 2.822 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.878 2.267 2.389 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.874 4.133 5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.177 2.297 4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.638 4.116 7.328 1.00 0.00 H new ATOM 241 N CYS A 17 -1.291 4.631 1.385 1.00 0.00 N ATOM 242 CA CYS A 17 -0.006 5.268 1.335 1.00 0.00 C ATOM 243 C CYS A 17 -0.163 6.652 0.726 1.00 0.00 C ATOM 244 O CYS A 17 0.414 7.629 1.208 1.00 0.00 O ATOM 245 CB CYS A 17 0.913 4.401 0.506 1.00 0.00 C ATOM 246 SG CYS A 17 0.876 2.663 1.040 1.00 0.00 S ATOM 0 H CYS A 17 -1.377 3.828 0.763 1.00 0.00 H new ATOM 0 HA CYS A 17 0.420 5.385 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.623 4.464 -0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.932 4.781 0.578 1.00 0.00 H new ATOM 251 N LEU A 18 -0.997 6.743 -0.298 1.00 0.00 N ATOM 252 CA LEU A 18 -1.285 8.018 -0.947 1.00 0.00 C ATOM 253 C LEU A 18 -2.063 8.934 0.003 1.00 0.00 C ATOM 254 O LEU A 18 -1.921 10.153 -0.040 1.00 0.00 O ATOM 255 CB LEU A 18 -2.084 7.803 -2.237 1.00 0.00 C ATOM 256 CG LEU A 18 -1.425 6.927 -3.309 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.345 6.782 -4.509 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.078 7.503 -3.734 1.00 0.00 C ATOM 0 H LEU A 18 -1.490 5.946 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.337 8.492 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.044 7.358 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.295 8.779 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.249 5.940 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.865 6.158 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.281 6.318 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.551 7.766 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.368 6.862 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.222 8.504 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.584 7.555 -2.870 1.00 0.00 H new ATOM 270 N ALA A 19 -2.872 8.329 0.860 1.00 0.00 N ATOM 271 CA ALA A 19 -3.633 9.050 1.864 1.00 0.00 C ATOM 272 C ALA A 19 -2.710 9.665 2.900 1.00 0.00 C ATOM 273 O ALA A 19 -2.853 10.840 3.246 1.00 0.00 O ATOM 274 CB ALA A 19 -4.653 8.139 2.527 1.00 0.00 C ATOM 0 H ALA A 19 -3.018 7.320 0.877 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.171 9.856 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.211 8.702 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.341 7.755 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.139 7.306 3.007 1.00 0.00 H new ATOM 280 N LYS A 20 -1.756 8.880 3.389 1.00 0.00 N ATOM 281 CA LYS A 20 -0.793 9.385 4.368 1.00 0.00 C ATOM 282 C LYS A 20 0.120 10.442 3.763 1.00 0.00 C ATOM 283 O LYS A 20 0.430 11.444 4.404 1.00 0.00 O ATOM 284 CB LYS A 20 0.053 8.263 4.971 1.00 0.00 C ATOM 285 CG LYS A 20 -0.681 7.348 5.930 1.00 0.00 C ATOM 286 CD LYS A 20 0.273 6.332 6.533 1.00 0.00 C ATOM 287 CE LYS A 20 -0.380 5.530 7.630 1.00 0.00 C ATOM 288 NZ LYS A 20 0.567 4.580 8.248 1.00 0.00 N ATOM 0 H LYS A 20 -1.627 7.902 3.129 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.380 9.841 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.461 7.661 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.899 8.708 5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.142 7.937 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.486 6.833 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.627 5.659 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.148 6.847 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.769 6.205 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.231 4.984 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.083 4.046 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.919 3.920 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.367 5.104 8.657 1.00 0.00 H new ATOM 302 N GLY A 21 0.507 10.239 2.532 1.00 0.00 N ATOM 303 CA GLY A 21 1.397 11.170 1.880 1.00 0.00 C ATOM 304 C GLY A 21 2.677 10.494 1.470 1.00 0.00 C ATOM 305 O GLY A 21 3.772 11.007 1.680 1.00 0.00 O ATOM 0 H GLY A 21 0.224 9.443 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.908 11.593 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.618 11.999 2.552 1.00 0.00 H new ATOM 309 N PHE A 22 2.539 9.317 0.941 1.00 0.00 N ATOM 310 CA PHE A 22 3.649 8.551 0.449 1.00 0.00 C ATOM 311 C PHE A 22 3.677 8.583 -1.027 1.00 0.00 C ATOM 312 O PHE A 22 2.675 8.909 -1.667 1.00 0.00 O ATOM 313 CB PHE A 22 3.590 7.101 0.953 1.00 0.00 C ATOM 314 CG PHE A 22 4.098 6.981 2.320 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.435 6.830 2.511 1.00 0.00 C ATOM 316 CD2 PHE A 22 3.261 7.033 3.409 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.954 6.735 3.745 1.00 0.00 C ATOM 318 CE2 PHE A 22 3.774 6.931 4.678 1.00 0.00 C ATOM 319 CZ PHE A 22 5.131 6.783 4.851 1.00 0.00 C ATOM 0 H PHE A 22 1.638 8.851 0.836 1.00 0.00 H new ATOM 0 HA PHE A 22 4.566 9.001 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.561 6.744 0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.174 6.462 0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.091 6.786 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.197 7.154 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.020 6.621 3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.117 6.967 5.535 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.548 6.705 5.844 1.00 0.00 H new ATOM 329 N ARG A 23 4.806 8.245 -1.571 1.00 0.00 N ATOM 330 CA ARG A 23 4.963 8.178 -2.995 1.00 0.00 C ATOM 331 C ARG A 23 4.470 6.844 -3.463 1.00 0.00 C ATOM 332 O ARG A 23 4.245 6.631 -4.665 1.00 0.00 O ATOM 333 CB ARG A 23 6.410 8.396 -3.434 1.00 0.00 C ATOM 334 CG ARG A 23 6.999 9.729 -3.021 1.00 0.00 C ATOM 335 CD ARG A 23 6.133 10.882 -3.484 1.00 0.00 C ATOM 336 NE ARG A 23 6.793 12.169 -3.294 1.00 0.00 N ATOM 337 CZ ARG A 23 6.175 13.346 -3.189 1.00 0.00 C ATOM 338 NH1 ARG A 23 4.843 13.407 -3.066 1.00 0.00 N ATOM 339 NH2 ARG A 23 6.892 14.464 -3.185 1.00 0.00 N ATOM 0 H ARG A 23 5.645 8.008 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 23 4.381 8.982 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.026 7.597 -3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.464 8.310 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.103 9.762 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.000 9.832 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.888 10.752 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.192 10.872 -2.935 1.00 0.00 H new ATOM 0 HE ARG A 23 7.811 12.169 -3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.292 12.549 -3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.379 14.312 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.908 14.419 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.427 15.368 -3.105 1.00 0.00 H new ATOM 353 N GLY A 24 4.232 5.961 -2.506 1.00 0.00 N ATOM 354 CA GLY A 24 3.698 4.707 -2.846 1.00 0.00 C ATOM 355 C GLY A 24 3.848 3.686 -1.771 1.00 0.00 C ATOM 356 O GLY A 24 4.605 3.865 -0.756 1.00 0.00 O ATOM 0 H GLY A 24 4.406 6.110 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.640 4.823 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.187 4.346 -3.750 1.00 0.00 H new ATOM 360 N GLY A 25 3.101 2.653 -1.955 1.00 0.00 N ATOM 361 CA GLY A 25 3.028 1.594 -1.056 1.00 0.00 C ATOM 362 C GLY A 25 2.865 0.340 -1.806 1.00 0.00 C ATOM 363 O GLY A 25 2.367 0.356 -2.937 1.00 0.00 O ATOM 0 H GLY A 25 2.506 2.535 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.931 1.554 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.190 1.736 -0.374 1.00 0.00 H new ATOM 367 N TRP A 26 3.264 -0.725 -1.229 1.00 0.00 N ATOM 368 CA TRP A 26 3.253 -1.975 -1.893 1.00 0.00 C ATOM 369 C TRP A 26 3.150 -3.062 -0.866 1.00 0.00 C ATOM 370 O TRP A 26 3.504 -2.866 0.313 1.00 0.00 O ATOM 371 CB TRP A 26 4.554 -2.154 -2.727 1.00 0.00 C ATOM 372 CG TRP A 26 5.810 -2.383 -1.908 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.524 -3.538 -1.827 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.476 -1.453 -1.037 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.583 -3.374 -0.981 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.571 -2.121 -0.480 1.00 0.00 C ATOM 377 CE3 TRP A 26 6.251 -0.131 -0.681 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.430 -1.520 0.414 1.00 0.00 C ATOM 379 CZ3 TRP A 26 7.096 0.474 0.209 1.00 0.00 C ATOM 380 CH2 TRP A 26 8.183 -0.231 0.753 1.00 0.00 C ATOM 0 H TRP A 26 3.612 -0.759 -0.271 1.00 0.00 H new ATOM 0 HA TRP A 26 2.402 -2.022 -2.572 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.421 -2.997 -3.405 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.697 -1.268 -3.345 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.288 -4.450 -2.354 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.277 -4.089 -0.761 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.419 0.414 -1.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.270 -2.057 0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.926 1.501 0.496 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.836 0.265 1.456 1.00 0.00 H new ATOM 391 N CYS A 27 2.659 -4.165 -1.280 1.00 0.00 N ATOM 392 CA CYS A 27 2.593 -5.304 -0.445 1.00 0.00 C ATOM 393 C CYS A 27 3.857 -6.082 -0.628 1.00 0.00 C ATOM 394 O CYS A 27 4.254 -6.368 -1.771 1.00 0.00 O ATOM 395 CB CYS A 27 1.409 -6.145 -0.847 1.00 0.00 C ATOM 396 SG CYS A 27 -0.144 -5.227 -0.810 1.00 0.00 S ATOM 0 H CYS A 27 2.286 -4.307 -2.219 1.00 0.00 H new ATOM 0 HA CYS A 27 2.480 -5.013 0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.571 -6.536 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.335 -7.003 -0.179 1.00 0.00 H new ATOM 401 N ASP A 28 4.531 -6.382 0.443 1.00 0.00 N ATOM 402 CA ASP A 28 5.718 -7.189 0.319 1.00 0.00 C ATOM 403 C ASP A 28 5.299 -8.655 0.311 1.00 0.00 C ATOM 404 O ASP A 28 4.097 -8.956 0.427 1.00 0.00 O ATOM 405 CB ASP A 28 6.777 -6.882 1.408 1.00 0.00 C ATOM 406 CG ASP A 28 6.431 -7.365 2.794 1.00 0.00 C ATOM 407 OD1 ASP A 28 6.598 -8.563 3.072 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.054 -6.548 3.645 1.00 0.00 O ATOM 0 H ASP A 28 4.292 -6.091 1.391 1.00 0.00 H new ATOM 0 HA ASP A 28 6.216 -6.946 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.723 -7.333 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.935 -5.804 1.445 1.00 0.00 H new ATOM 413 N SER A 29 6.244 -9.555 0.186 1.00 0.00 N ATOM 414 CA SER A 29 5.958 -10.983 0.075 1.00 0.00 C ATOM 415 C SER A 29 5.227 -11.585 1.311 1.00 0.00 C ATOM 416 O SER A 29 4.665 -12.686 1.231 1.00 0.00 O ATOM 417 CB SER A 29 7.246 -11.729 -0.234 1.00 0.00 C ATOM 418 OG SER A 29 7.841 -11.192 -1.411 1.00 0.00 O ATOM 0 H SER A 29 7.238 -9.328 0.157 1.00 0.00 H new ATOM 0 HA SER A 29 5.252 -11.107 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.937 -11.645 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.039 -12.790 -0.371 1.00 0.00 H new ATOM 0 HG SER A 29 8.672 -11.674 -1.607 1.00 0.00 H new ATOM 424 N ARG A 30 5.204 -10.862 2.421 1.00 0.00 N ATOM 425 CA ARG A 30 4.501 -11.312 3.624 1.00 0.00 C ATOM 426 C ARG A 30 3.063 -10.779 3.622 1.00 0.00 C ATOM 427 O ARG A 30 2.341 -10.926 4.607 1.00 0.00 O ATOM 428 CB ARG A 30 5.206 -10.781 4.861 1.00 0.00 C ATOM 429 CG ARG A 30 6.663 -11.174 4.983 1.00 0.00 C ATOM 430 CD ARG A 30 7.339 -10.318 6.030 1.00 0.00 C ATOM 431 NE ARG A 30 7.213 -8.893 5.685 1.00 0.00 N ATOM 432 CZ ARG A 30 7.467 -7.865 6.491 1.00 0.00 C ATOM 433 NH1 ARG A 30 7.984 -8.068 7.698 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.207 -6.634 6.071 1.00 0.00 N ATOM 0 H ARG A 30 5.665 -9.957 2.518 1.00 0.00 H new ATOM 0 HA ARG A 30 4.494 -12.402 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.137 -9.693 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.674 -11.135 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.744 -12.227 5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.163 -11.053 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.891 -10.504 7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.392 -10.589 6.106 1.00 0.00 H new ATOM 0 HE ARG A 30 6.902 -8.672 4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.189 -9.017 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.176 -7.275 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.817 -6.484 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.397 -5.837 6.679 1.00 0.00 H new ATOM 448 N LYS A 31 2.674 -10.120 2.509 1.00 0.00 N ATOM 449 CA LYS A 31 1.333 -9.514 2.326 1.00 0.00 C ATOM 450 C LYS A 31 1.145 -8.298 3.218 1.00 0.00 C ATOM 451 O LYS A 31 0.021 -7.832 3.432 1.00 0.00 O ATOM 452 CB LYS A 31 0.194 -10.532 2.537 1.00 0.00 C ATOM 453 CG LYS A 31 0.111 -11.626 1.485 1.00 0.00 C ATOM 454 CD LYS A 31 -0.268 -11.069 0.119 1.00 0.00 C ATOM 455 CE LYS A 31 -0.402 -12.172 -0.919 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.413 -13.191 -0.541 1.00 0.00 N ATOM 0 H LYS A 31 3.286 -9.991 1.703 1.00 0.00 H new ATOM 0 HA LYS A 31 1.282 -9.185 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.318 -10.997 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.754 -9.995 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.071 -12.137 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.625 -12.370 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.209 -10.525 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.488 -10.354 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.676 -11.732 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.564 -12.657 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.638 -13.780 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.033 -13.792 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.276 -12.716 -0.208 1.00 0.00 H new ATOM 470 N VAL A 32 2.243 -7.766 3.690 1.00 0.00 N ATOM 471 CA VAL A 32 2.229 -6.605 4.541 1.00 0.00 C ATOM 472 C VAL A 32 2.245 -5.354 3.685 1.00 0.00 C ATOM 473 O VAL A 32 3.004 -5.267 2.708 1.00 0.00 O ATOM 474 CB VAL A 32 3.444 -6.612 5.527 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.483 -5.356 6.393 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.404 -7.852 6.412 1.00 0.00 C ATOM 0 H VAL A 32 3.176 -8.128 3.494 1.00 0.00 H new ATOM 0 HA VAL A 32 1.319 -6.621 5.141 1.00 0.00 H new ATOM 0 HB VAL A 32 4.351 -6.628 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.342 -5.402 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.567 -4.476 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.568 -5.291 6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.256 -7.841 7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.479 -7.857 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.448 -8.745 5.789 1.00 0.00 H new ATOM 486 N CYS A 33 1.373 -4.438 4.011 1.00 0.00 N ATOM 487 CA CYS A 33 1.303 -3.163 3.353 1.00 0.00 C ATOM 488 C CYS A 33 2.386 -2.254 3.850 1.00 0.00 C ATOM 489 O CYS A 33 2.428 -1.913 5.037 1.00 0.00 O ATOM 490 CB CYS A 33 -0.050 -2.513 3.580 1.00 0.00 C ATOM 491 SG CYS A 33 -1.341 -3.049 2.449 1.00 0.00 S ATOM 0 H CYS A 33 0.682 -4.559 4.752 1.00 0.00 H new ATOM 0 HA CYS A 33 1.439 -3.330 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.371 -2.721 4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.063 -1.432 3.495 1.00 0.00 H new ATOM 496 N ASN A 34 3.269 -1.885 2.983 1.00 0.00 N ATOM 497 CA ASN A 34 4.327 -0.995 3.345 1.00 0.00 C ATOM 498 C ASN A 34 4.178 0.252 2.544 1.00 0.00 C ATOM 499 O ASN A 34 4.033 0.182 1.342 1.00 0.00 O ATOM 500 CB ASN A 34 5.707 -1.599 3.043 1.00 0.00 C ATOM 501 CG ASN A 34 5.956 -2.934 3.698 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.447 -3.015 4.827 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.656 -3.981 2.992 1.00 0.00 N ATOM 0 H ASN A 34 3.280 -2.188 2.009 1.00 0.00 H new ATOM 0 HA ASN A 34 4.264 -0.801 4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.813 -1.711 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.476 -0.899 3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.825 -4.914 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.251 -3.870 2.062 1.00 0.00 H new ATOM 510 N CYS A 35 4.163 1.362 3.186 1.00 0.00 N ATOM 511 CA CYS A 35 4.153 2.631 2.500 1.00 0.00 C ATOM 512 C CYS A 35 5.469 3.250 2.800 1.00 0.00 C ATOM 513 O CYS A 35 5.792 3.447 3.985 1.00 0.00 O ATOM 514 CB CYS A 35 3.028 3.522 3.004 1.00 0.00 C ATOM 515 SG CYS A 35 1.372 2.747 2.998 1.00 0.00 S ATOM 0 H CYS A 35 4.157 1.432 4.204 1.00 0.00 H new ATOM 0 HA CYS A 35 3.990 2.501 1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.262 3.838 4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.994 4.422 2.390 1.00 0.00 H new ATOM 520 N ARG A 36 6.248 3.556 1.767 1.00 0.00 N ATOM 521 CA ARG A 36 7.628 3.966 1.995 1.00 0.00 C ATOM 522 C ARG A 36 8.324 4.252 0.682 1.00 0.00 C ATOM 523 O ARG A 36 9.238 5.059 0.624 1.00 0.00 O ATOM 524 CB ARG A 36 8.352 2.805 2.674 1.00 0.00 C ATOM 525 CG ARG A 36 9.742 3.070 3.185 1.00 0.00 C ATOM 526 CD ARG A 36 10.384 1.762 3.636 1.00 0.00 C ATOM 527 NE ARG A 36 9.541 1.018 4.600 1.00 0.00 N ATOM 528 CZ ARG A 36 9.348 -0.323 4.607 1.00 0.00 C ATOM 529 NH1 ARG A 36 9.988 -1.102 3.740 1.00 0.00 N ATOM 530 NH2 ARG A 36 8.530 -0.878 5.501 1.00 0.00 N ATOM 0 H ARG A 36 5.958 3.529 0.790 1.00 0.00 H new ATOM 0 HA ARG A 36 7.642 4.867 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.742 2.469 3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.404 1.978 1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.345 3.531 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.706 3.774 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.573 1.135 2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.351 1.974 4.092 1.00 0.00 H new ATOM 0 HE ARG A 36 9.065 1.562 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.630 -0.691 3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.837 -2.111 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.047 -0.293 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.387 -1.888 5.503 1.00 0.00 H new ATOM 544 N ARG A 37 7.900 3.591 -0.365 1.00 0.00 N ATOM 545 CA ARG A 37 8.562 3.704 -1.630 1.00 0.00 C ATOM 546 C ARG A 37 7.626 4.271 -2.646 1.00 0.00 C ATOM 547 O ARG A 37 6.886 3.509 -3.267 1.00 0.00 O ATOM 548 CB ARG A 37 9.129 2.350 -2.087 1.00 0.00 C ATOM 549 CG ARG A 37 10.148 1.771 -1.130 1.00 0.00 C ATOM 550 CD ARG A 37 10.849 0.564 -1.729 1.00 0.00 C ATOM 551 NE ARG A 37 11.612 0.930 -2.928 1.00 0.00 N ATOM 552 CZ ARG A 37 12.044 0.076 -3.873 1.00 0.00 C ATOM 553 NH1 ARG A 37 11.833 -1.241 -3.757 1.00 0.00 N ATOM 554 NH2 ARG A 37 12.709 0.536 -4.919 1.00 0.00 N ATOM 555 OXT ARG A 37 7.613 5.496 -2.807 1.00 0.00 O ATOM 0 H ARG A 37 7.094 2.966 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 37 9.407 4.384 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.309 1.642 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.590 2.470 -3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.885 2.533 -0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.655 1.483 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.519 0.126 -0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.112 -0.198 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 37 11.834 1.917 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.339 -1.609 -2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.166 -1.877 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.893 1.535 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.038 -0.109 -5.638 1.00 0.00 H new