USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc=-0.00112 K(o=0.56,f=-1.7) USER MOD Set 1.2: A 22 LYS NZ :NH3+ -160:sc= 0.564 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.126 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.939 X(o=-0.94,f=-0.86) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -111:sc= -1.11 (180deg=-2.47!) USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= -3.89! (180deg=-5.02!) USER MOD Single : A 18 SER OG : rot 150:sc= 0.0041 USER MOD Single : A 19 LYS NZ :NH3+ 132:sc= -1.13 (180deg=-2.45!) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.0481 (180deg=-0.428) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.474 K(o=-0.47,f=-2.8) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0.661 (180deg=0.271) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.344 1.220 -4.401 1.00 1.00 N ATOM 2 CA GLY A 1 2.184 0.478 -3.419 1.00 1.00 C ATOM 3 C GLY A 1 3.540 1.142 -3.220 1.00 1.00 C ATOM 4 O GLY A 1 3.744 2.277 -3.609 1.00 1.00 O ATOM 0 H1 GLY A 1 0.785 0.544 -4.960 1.00 1.00 H new ATOM 0 H2 GLY A 1 0.703 1.863 -3.894 1.00 1.00 H new ATOM 0 H3 GLY A 1 1.957 1.771 -5.035 1.00 1.00 H new ATOM 0 HA2 GLY A 1 1.663 0.422 -2.463 1.00 1.00 H new ATOM 0 HA3 GLY A 1 2.328 -0.546 -3.764 1.00 1.00 H new ATOM 10 N ASP A 2 4.425 0.393 -2.612 1.00 1.00 N ATOM 11 CA ASP A 2 5.793 0.879 -2.335 1.00 1.00 C ATOM 12 C ASP A 2 6.812 0.081 -3.138 1.00 1.00 C ATOM 13 O ASP A 2 6.575 -1.043 -3.525 1.00 1.00 O ATOM 14 CB ASP A 2 6.037 0.747 -0.842 1.00 1.00 C ATOM 15 CG ASP A 2 6.231 -0.715 -0.404 1.00 1.00 C ATOM 16 OD1 ASP A 2 5.321 -1.501 -0.621 1.00 1.00 O ATOM 17 OD2 ASP A 2 7.300 -0.951 0.132 1.00 1.00 O ATOM 0 H ASP A 2 4.243 -0.558 -2.292 1.00 1.00 H new ATOM 0 HA ASP A 2 5.899 1.922 -2.633 1.00 1.00 H new ATOM 0 HB2 ASP A 2 6.920 1.325 -0.569 1.00 1.00 H new ATOM 0 HB3 ASP A 2 5.195 1.177 -0.300 1.00 1.00 H new ATOM 22 N CYS A 3 7.939 0.700 -3.336 1.00 1.00 N ATOM 23 CA CYS A 3 9.040 0.077 -4.116 1.00 1.00 C ATOM 24 C CYS A 3 9.830 -1.016 -3.388 1.00 1.00 C ATOM 25 O CYS A 3 10.981 -0.843 -3.037 1.00 1.00 O ATOM 26 CB CYS A 3 9.930 1.239 -4.547 1.00 1.00 C ATOM 27 SG CYS A 3 9.165 2.547 -5.543 1.00 1.00 S ATOM 0 H CYS A 3 8.148 1.633 -2.981 1.00 1.00 H new ATOM 0 HA CYS A 3 8.620 -0.472 -4.959 1.00 1.00 H new ATOM 0 HB2 CYS A 3 10.345 1.697 -3.649 1.00 1.00 H new ATOM 0 HB3 CYS A 3 10.768 0.831 -5.112 1.00 1.00 H new ATOM 32 N LEU A 4 9.157 -2.122 -3.187 1.00 1.00 N ATOM 33 CA LEU A 4 9.796 -3.288 -2.497 1.00 1.00 C ATOM 34 C LEU A 4 10.847 -3.873 -3.471 1.00 1.00 C ATOM 35 O LEU A 4 10.459 -4.561 -4.396 1.00 1.00 O ATOM 36 CB LEU A 4 8.736 -4.365 -2.178 1.00 1.00 C ATOM 37 CG LEU A 4 7.711 -3.854 -1.142 1.00 1.00 C ATOM 38 CD1 LEU A 4 6.558 -4.863 -1.025 1.00 1.00 C ATOM 39 CD2 LEU A 4 8.376 -3.713 0.252 1.00 1.00 C ATOM 0 H LEU A 4 8.189 -2.269 -3.472 1.00 1.00 H new ATOM 0 HA LEU A 4 10.256 -2.973 -1.560 1.00 1.00 H new ATOM 0 HB2 LEU A 4 8.219 -4.652 -3.094 1.00 1.00 H new ATOM 0 HB3 LEU A 4 9.227 -5.260 -1.796 1.00 1.00 H new ATOM 0 HG LEU A 4 7.341 -2.883 -1.471 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.833 -4.504 -0.294 1.00 1.00 H new ATOM 0 HD12 LEU A 4 6.072 -4.974 -1.994 1.00 1.00 H new ATOM 0 HD13 LEU A 4 6.950 -5.828 -0.704 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.641 -3.352 0.971 1.00 1.00 H new ATOM 0 HD22 LEU A 4 8.753 -4.683 0.575 1.00 1.00 H new ATOM 0 HD23 LEU A 4 9.202 -3.005 0.191 1.00 1.00 H new ATOM 51 N PRO A 5 12.121 -3.599 -3.259 1.00 1.00 N ATOM 52 CA PRO A 5 13.190 -3.722 -4.301 1.00 1.00 C ATOM 53 C PRO A 5 13.029 -4.972 -5.163 1.00 1.00 C ATOM 54 O PRO A 5 12.533 -4.943 -6.273 1.00 1.00 O ATOM 55 CB PRO A 5 14.505 -3.700 -3.492 1.00 1.00 C ATOM 56 CG PRO A 5 14.055 -3.912 -2.020 1.00 1.00 C ATOM 57 CD PRO A 5 12.714 -3.176 -1.961 1.00 1.00 C ATOM 0 HA PRO A 5 13.154 -2.915 -5.033 1.00 1.00 H new ATOM 0 HB2 PRO A 5 15.185 -4.487 -3.817 1.00 1.00 H new ATOM 0 HB3 PRO A 5 15.031 -2.753 -3.614 1.00 1.00 H new ATOM 0 HG2 PRO A 5 13.946 -4.970 -1.780 1.00 1.00 H new ATOM 0 HG3 PRO A 5 14.775 -3.497 -1.314 1.00 1.00 H new ATOM 0 HD2 PRO A 5 12.109 -3.483 -1.108 1.00 1.00 H new ATOM 0 HD3 PRO A 5 12.836 -2.095 -1.893 1.00 1.00 H new ATOM 65 N HIS A 6 13.483 -6.032 -4.561 1.00 1.00 N ATOM 66 CA HIS A 6 13.434 -7.385 -5.192 1.00 1.00 C ATOM 67 C HIS A 6 11.969 -7.858 -5.241 1.00 1.00 C ATOM 68 O HIS A 6 11.144 -7.357 -4.504 1.00 1.00 O ATOM 69 CB HIS A 6 14.289 -8.334 -4.336 1.00 1.00 C ATOM 70 CG HIS A 6 14.233 -9.768 -4.873 1.00 1.00 C ATOM 71 ND1 HIS A 6 14.757 -10.174 -5.982 1.00 1.00 N ATOM 72 CD2 HIS A 6 13.646 -10.901 -4.336 1.00 1.00 C ATOM 73 CE1 HIS A 6 14.526 -11.439 -6.133 1.00 1.00 C ATOM 74 NE2 HIS A 6 13.838 -11.932 -5.133 1.00 1.00 N ATOM 0 H HIS A 6 13.899 -6.020 -3.630 1.00 1.00 H new ATOM 0 HA HIS A 6 13.823 -7.365 -6.210 1.00 1.00 H new ATOM 0 HB2 HIS A 6 15.322 -7.987 -4.326 1.00 1.00 H new ATOM 0 HB3 HIS A 6 13.936 -8.315 -3.305 1.00 1.00 H new ATOM 0 HD2 HIS A 6 13.109 -10.935 -3.400 1.00 1.00 H new ATOM 0 HE1 HIS A 6 14.860 -12.018 -6.981 1.00 1.00 H new ATOM 0 HE2 HIS A 6 13.523 -12.893 -5.002 1.00 1.00 H new ATOM 82 N LEU A 7 11.710 -8.795 -6.120 1.00 1.00 N ATOM 83 CA LEU A 7 10.344 -9.379 -6.297 1.00 1.00 C ATOM 84 C LEU A 7 9.958 -10.287 -5.107 1.00 1.00 C ATOM 85 O LEU A 7 9.740 -11.472 -5.262 1.00 1.00 O ATOM 86 CB LEU A 7 10.318 -10.160 -7.657 1.00 1.00 C ATOM 87 CG LEU A 7 11.422 -11.261 -7.766 1.00 1.00 C ATOM 88 CD1 LEU A 7 10.852 -12.463 -8.552 1.00 1.00 C ATOM 89 CD2 LEU A 7 12.621 -10.718 -8.589 1.00 1.00 C ATOM 0 H LEU A 7 12.414 -9.192 -6.743 1.00 1.00 H new ATOM 0 HA LEU A 7 9.602 -8.581 -6.321 1.00 1.00 H new ATOM 0 HB2 LEU A 7 9.340 -10.624 -7.781 1.00 1.00 H new ATOM 0 HB3 LEU A 7 10.441 -9.451 -8.476 1.00 1.00 H new ATOM 0 HG LEU A 7 11.736 -11.547 -6.762 1.00 1.00 H new ATOM 0 HD11 LEU A 7 11.614 -13.238 -8.635 1.00 1.00 H new ATOM 0 HD12 LEU A 7 9.984 -12.862 -8.027 1.00 1.00 H new ATOM 0 HD13 LEU A 7 10.556 -12.138 -9.549 1.00 1.00 H new ATOM 0 HD21 LEU A 7 13.389 -11.487 -8.664 1.00 1.00 H new ATOM 0 HD22 LEU A 7 12.282 -10.445 -9.589 1.00 1.00 H new ATOM 0 HD23 LEU A 7 13.034 -9.839 -8.094 1.00 1.00 H new ATOM 101 N LYS A 8 9.891 -9.709 -3.933 1.00 1.00 N ATOM 102 CA LYS A 8 9.526 -10.483 -2.717 1.00 1.00 C ATOM 103 C LYS A 8 8.045 -10.858 -2.745 1.00 1.00 C ATOM 104 O LYS A 8 7.292 -10.378 -3.573 1.00 1.00 O ATOM 105 CB LYS A 8 9.858 -9.632 -1.499 1.00 1.00 C ATOM 106 CG LYS A 8 9.186 -8.241 -1.585 1.00 1.00 C ATOM 107 CD LYS A 8 9.198 -7.651 -0.179 1.00 1.00 C ATOM 108 CE LYS A 8 8.199 -8.447 0.680 1.00 1.00 C ATOM 109 NZ LYS A 8 8.833 -8.856 1.961 1.00 1.00 N ATOM 0 H LYS A 8 10.077 -8.720 -3.769 1.00 1.00 H new ATOM 0 HA LYS A 8 10.091 -11.414 -2.677 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.527 -10.143 -0.595 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.938 -9.512 -1.420 1.00 1.00 H new ATOM 0 HG2 LYS A 8 9.724 -7.595 -2.279 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.165 -8.328 -1.958 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.199 -7.708 0.249 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.922 -6.597 -0.206 1.00 1.00 H new ATOM 0 HE2 LYS A 8 7.316 -7.840 0.881 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.862 -9.329 0.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 8.148 -9.392 2.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.662 -9.453 1.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.133 -8.010 2.486 1.00 1.00 H new ATOM 123 N LEU A 9 7.693 -11.705 -1.815 1.00 1.00 N ATOM 124 CA LEU A 9 6.319 -12.202 -1.665 1.00 1.00 C ATOM 125 C LEU A 9 5.301 -11.156 -1.204 1.00 1.00 C ATOM 126 O LEU A 9 5.631 -10.237 -0.480 1.00 1.00 O ATOM 127 CB LEU A 9 6.357 -13.316 -0.677 1.00 1.00 C ATOM 128 CG LEU A 9 7.309 -14.468 -1.088 1.00 1.00 C ATOM 129 CD1 LEU A 9 8.686 -14.331 -0.397 1.00 1.00 C ATOM 130 CD2 LEU A 9 6.656 -15.807 -0.694 1.00 1.00 C ATOM 0 H LEU A 9 8.344 -12.082 -1.127 1.00 1.00 H new ATOM 0 HA LEU A 9 5.980 -12.516 -2.652 1.00 1.00 H new ATOM 0 HB2 LEU A 9 6.669 -12.924 0.291 1.00 1.00 H new ATOM 0 HB3 LEU A 9 5.350 -13.714 -0.550 1.00 1.00 H new ATOM 0 HG LEU A 9 7.473 -14.427 -2.165 1.00 1.00 H new ATOM 0 HD11 LEU A 9 9.331 -15.154 -0.705 1.00 1.00 H new ATOM 0 HD12 LEU A 9 9.144 -13.384 -0.683 1.00 1.00 H new ATOM 0 HD13 LEU A 9 8.555 -14.359 0.685 1.00 1.00 H new ATOM 0 HD21 LEU A 9 7.313 -16.629 -0.976 1.00 1.00 H new ATOM 0 HD22 LEU A 9 6.491 -15.828 0.383 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.701 -15.912 -1.210 1.00 1.00 H new ATOM 142 N CYS A 10 4.087 -11.347 -1.655 1.00 1.00 N ATOM 143 CA CYS A 10 2.977 -10.437 -1.299 1.00 1.00 C ATOM 144 C CYS A 10 1.606 -11.105 -1.561 1.00 1.00 C ATOM 145 O CYS A 10 1.525 -12.238 -2.007 1.00 1.00 O ATOM 146 CB CYS A 10 3.091 -9.131 -2.118 1.00 1.00 C ATOM 147 SG CYS A 10 2.203 -9.084 -3.691 1.00 1.00 S ATOM 0 H CYS A 10 3.821 -12.117 -2.269 1.00 1.00 H new ATOM 0 HA CYS A 10 3.047 -10.208 -0.236 1.00 1.00 H new ATOM 0 HB2 CYS A 10 2.732 -8.308 -1.499 1.00 1.00 H new ATOM 0 HB3 CYS A 10 4.146 -8.944 -2.317 1.00 1.00 H new ATOM 152 N LYS A 11 0.579 -10.343 -1.267 1.00 1.00 N ATOM 153 CA LYS A 11 -0.853 -10.769 -1.429 1.00 1.00 C ATOM 154 C LYS A 11 -1.617 -9.959 -2.482 1.00 1.00 C ATOM 155 O LYS A 11 -2.395 -10.486 -3.254 1.00 1.00 O ATOM 156 CB LYS A 11 -1.546 -10.610 -0.128 1.00 1.00 C ATOM 157 CG LYS A 11 -0.942 -11.589 0.902 1.00 1.00 C ATOM 158 CD LYS A 11 -1.829 -11.646 2.154 1.00 1.00 C ATOM 159 CE LYS A 11 -3.276 -11.965 1.724 1.00 1.00 C ATOM 160 NZ LYS A 11 -4.066 -10.710 1.561 1.00 1.00 N ATOM 0 H LYS A 11 0.680 -9.396 -0.903 1.00 1.00 H new ATOM 0 HA LYS A 11 -0.838 -11.806 -1.765 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -1.445 -9.584 0.227 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -2.612 -10.802 -0.246 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -0.854 -12.583 0.463 1.00 1.00 H new ATOM 0 HG3 LYS A 11 0.064 -11.270 1.173 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -1.463 -12.408 2.842 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -1.794 -10.695 2.685 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -3.268 -12.520 0.786 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -3.749 -12.605 2.469 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -4.783 -10.651 2.312 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -3.431 -9.889 1.624 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -4.536 -10.714 0.633 1.00 1.00 H new ATOM 174 N GLU A 12 -1.348 -8.684 -2.445 1.00 1.00 N ATOM 175 CA GLU A 12 -1.973 -7.690 -3.381 1.00 1.00 C ATOM 176 C GLU A 12 -0.966 -7.202 -4.450 1.00 1.00 C ATOM 177 O GLU A 12 0.192 -6.995 -4.154 1.00 1.00 O ATOM 178 CB GLU A 12 -2.468 -6.527 -2.504 1.00 1.00 C ATOM 179 CG GLU A 12 -2.913 -5.311 -3.337 1.00 1.00 C ATOM 180 CD GLU A 12 -3.142 -4.129 -2.379 1.00 1.00 C ATOM 181 OE1 GLU A 12 -4.175 -4.138 -1.730 1.00 1.00 O ATOM 182 OE2 GLU A 12 -2.263 -3.282 -2.349 1.00 1.00 O ATOM 0 H GLU A 12 -0.695 -8.269 -1.780 1.00 1.00 H new ATOM 0 HA GLU A 12 -2.795 -8.142 -3.936 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -3.302 -6.868 -1.890 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -1.673 -6.226 -1.822 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -2.153 -5.059 -4.077 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -3.828 -5.539 -3.884 1.00 1.00 H new ATOM 189 N ASN A 13 -1.433 -7.021 -5.664 1.00 1.00 N ATOM 190 CA ASN A 13 -0.550 -6.547 -6.774 1.00 1.00 C ATOM 191 C ASN A 13 -0.078 -5.131 -6.377 1.00 1.00 C ATOM 192 O ASN A 13 1.098 -4.844 -6.182 1.00 1.00 O ATOM 193 CB ASN A 13 -1.366 -6.508 -8.092 1.00 1.00 C ATOM 194 CG ASN A 13 -2.086 -7.845 -8.321 1.00 1.00 C ATOM 195 OD1 ASN A 13 -1.480 -8.881 -8.500 1.00 1.00 O ATOM 196 ND2 ASN A 13 -3.390 -7.864 -8.319 1.00 1.00 N ATOM 0 H ASN A 13 -2.403 -7.185 -5.934 1.00 1.00 H new ATOM 0 HA ASN A 13 0.304 -7.205 -6.931 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -2.095 -5.699 -8.051 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -0.703 -6.298 -8.931 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -3.887 -8.742 -8.467 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -3.912 -7.001 -8.170 1.00 1.00 H new ATOM 203 N LYS A 14 -1.096 -4.306 -6.275 1.00 1.00 N ATOM 204 CA LYS A 14 -0.960 -2.871 -5.896 1.00 1.00 C ATOM 205 C LYS A 14 0.085 -2.698 -4.794 1.00 1.00 C ATOM 206 O LYS A 14 0.696 -1.654 -4.725 1.00 1.00 O ATOM 207 CB LYS A 14 -2.354 -2.370 -5.454 1.00 1.00 C ATOM 208 CG LYS A 14 -2.268 -0.976 -4.779 1.00 1.00 C ATOM 209 CD LYS A 14 -3.667 -0.325 -4.606 1.00 1.00 C ATOM 210 CE LYS A 14 -4.587 -1.147 -3.674 1.00 1.00 C ATOM 211 NZ LYS A 14 -5.026 -2.412 -4.331 1.00 1.00 N ATOM 0 H LYS A 14 -2.060 -4.591 -6.449 1.00 1.00 H new ATOM 0 HA LYS A 14 -0.612 -2.280 -6.743 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.014 -2.316 -6.320 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -2.796 -3.085 -4.760 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -1.791 -1.074 -3.804 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -1.635 -0.321 -5.379 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -3.550 0.681 -4.202 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -4.141 -0.223 -5.582 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -4.059 -1.378 -2.749 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -5.460 -0.553 -3.403 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.034 -2.574 -4.134 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -4.881 -2.338 -5.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -4.469 -3.208 -3.959 1.00 1.00 H new ATOM 225 N ASP A 15 0.240 -3.722 -3.981 1.00 1.00 N ATOM 226 CA ASP A 15 1.223 -3.719 -2.855 1.00 1.00 C ATOM 227 C ASP A 15 2.551 -3.051 -3.233 1.00 1.00 C ATOM 228 O ASP A 15 3.167 -2.425 -2.391 1.00 1.00 O ATOM 229 CB ASP A 15 1.456 -5.183 -2.421 1.00 1.00 C ATOM 230 CG ASP A 15 2.319 -5.284 -1.150 1.00 1.00 C ATOM 231 OD1 ASP A 15 3.499 -4.996 -1.254 1.00 1.00 O ATOM 232 OD2 ASP A 15 1.745 -5.646 -0.136 1.00 1.00 O ATOM 0 H ASP A 15 -0.296 -4.587 -4.059 1.00 1.00 H new ATOM 0 HA ASP A 15 0.813 -3.131 -2.034 1.00 1.00 H new ATOM 0 HB2 ASP A 15 0.494 -5.665 -2.244 1.00 1.00 H new ATOM 0 HB3 ASP A 15 1.941 -5.727 -3.231 1.00 1.00 H new ATOM 237 N CYS A 16 2.953 -3.199 -4.475 1.00 1.00 N ATOM 238 CA CYS A 16 4.252 -2.560 -4.892 1.00 1.00 C ATOM 239 C CYS A 16 4.069 -1.255 -5.688 1.00 1.00 C ATOM 240 O CYS A 16 3.002 -0.999 -6.208 1.00 1.00 O ATOM 241 CB CYS A 16 5.057 -3.549 -5.763 1.00 1.00 C ATOM 242 SG CYS A 16 6.526 -4.244 -4.960 1.00 1.00 S ATOM 0 H CYS A 16 2.458 -3.717 -5.201 1.00 1.00 H new ATOM 0 HA CYS A 16 4.779 -2.312 -3.971 1.00 1.00 H new ATOM 0 HB2 CYS A 16 4.401 -4.367 -6.060 1.00 1.00 H new ATOM 0 HB3 CYS A 16 5.365 -3.040 -6.676 1.00 1.00 H new ATOM 247 N CYS A 17 5.125 -0.470 -5.749 1.00 1.00 N ATOM 248 CA CYS A 17 5.146 0.825 -6.484 1.00 1.00 C ATOM 249 C CYS A 17 4.729 0.520 -7.924 1.00 1.00 C ATOM 250 O CYS A 17 3.989 1.249 -8.555 1.00 1.00 O ATOM 251 CB CYS A 17 6.567 1.390 -6.480 1.00 1.00 C ATOM 252 SG CYS A 17 7.175 2.491 -5.179 1.00 1.00 S ATOM 0 H CYS A 17 6.010 -0.694 -5.294 1.00 1.00 H new ATOM 0 HA CYS A 17 4.478 1.552 -6.021 1.00 1.00 H new ATOM 0 HB2 CYS A 17 7.242 0.535 -6.505 1.00 1.00 H new ATOM 0 HB3 CYS A 17 6.693 1.923 -7.423 1.00 1.00 H new ATOM 257 N SER A 18 5.262 -0.592 -8.364 1.00 1.00 N ATOM 258 CA SER A 18 5.018 -1.109 -9.725 1.00 1.00 C ATOM 259 C SER A 18 3.572 -1.601 -9.827 1.00 1.00 C ATOM 260 O SER A 18 2.994 -1.609 -10.894 1.00 1.00 O ATOM 261 CB SER A 18 6.012 -2.245 -9.985 1.00 1.00 C ATOM 262 OG SER A 18 5.708 -2.694 -11.298 1.00 1.00 O ATOM 0 H SER A 18 5.880 -1.179 -7.804 1.00 1.00 H new ATOM 0 HA SER A 18 5.160 -0.330 -10.474 1.00 1.00 H new ATOM 0 HB2 SER A 18 7.042 -1.895 -9.914 1.00 1.00 H new ATOM 0 HB3 SER A 18 5.897 -3.047 -9.255 1.00 1.00 H new ATOM 0 HG SER A 18 6.521 -3.040 -11.722 1.00 1.00 H new ATOM 268 N LYS A 19 3.055 -1.994 -8.688 1.00 1.00 N ATOM 269 CA LYS A 19 1.662 -2.513 -8.548 1.00 1.00 C ATOM 270 C LYS A 19 1.426 -3.807 -9.332 1.00 1.00 C ATOM 271 O LYS A 19 0.282 -4.160 -9.555 1.00 1.00 O ATOM 272 CB LYS A 19 0.671 -1.414 -9.027 1.00 1.00 C ATOM 273 CG LYS A 19 0.877 -0.145 -8.175 1.00 1.00 C ATOM 274 CD LYS A 19 0.175 1.064 -8.810 1.00 1.00 C ATOM 275 CE LYS A 19 -1.358 0.881 -8.864 1.00 1.00 C ATOM 276 NZ LYS A 19 -1.915 0.750 -7.489 1.00 1.00 N ATOM 0 H LYS A 19 3.571 -1.973 -7.808 1.00 1.00 H new ATOM 0 HA LYS A 19 1.499 -2.753 -7.497 1.00 1.00 H new ATOM 0 HB2 LYS A 19 0.837 -1.191 -10.081 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -0.356 -1.767 -8.934 1.00 1.00 H new ATOM 0 HG2 LYS A 19 0.487 -0.310 -7.170 1.00 1.00 H new ATOM 0 HG3 LYS A 19 1.943 0.060 -8.074 1.00 1.00 H new ATOM 0 HD2 LYS A 19 0.413 1.962 -8.240 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.558 1.216 -9.819 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -1.815 1.733 -9.368 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -1.604 -0.005 -9.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -2.736 1.381 -7.385 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -2.211 -0.234 -7.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -1.187 1.011 -6.793 1.00 1.00 H new ATOM 290 N LYS A 20 2.484 -4.484 -9.728 1.00 1.00 N ATOM 291 CA LYS A 20 2.280 -5.753 -10.496 1.00 1.00 C ATOM 292 C LYS A 20 2.961 -6.911 -9.786 1.00 1.00 C ATOM 293 O LYS A 20 3.864 -7.545 -10.292 1.00 1.00 O ATOM 294 CB LYS A 20 2.842 -5.595 -11.961 1.00 1.00 C ATOM 295 CG LYS A 20 1.788 -4.991 -12.926 1.00 1.00 C ATOM 296 CD LYS A 20 1.609 -3.474 -12.713 1.00 1.00 C ATOM 297 CE LYS A 20 0.550 -2.930 -13.686 1.00 1.00 C ATOM 298 NZ LYS A 20 -0.779 -3.545 -13.401 1.00 1.00 N ATOM 0 H LYS A 20 3.454 -4.219 -9.557 1.00 1.00 H new ATOM 0 HA LYS A 20 1.212 -5.964 -10.554 1.00 1.00 H new ATOM 0 HB2 LYS A 20 3.725 -4.957 -11.943 1.00 1.00 H new ATOM 0 HB3 LYS A 20 3.160 -6.569 -12.334 1.00 1.00 H new ATOM 0 HG2 LYS A 20 2.090 -5.179 -13.956 1.00 1.00 H new ATOM 0 HG3 LYS A 20 0.832 -5.493 -12.778 1.00 1.00 H new ATOM 0 HD2 LYS A 20 1.307 -3.276 -11.685 1.00 1.00 H new ATOM 0 HD3 LYS A 20 2.558 -2.961 -12.871 1.00 1.00 H new ATOM 0 HE2 LYS A 20 0.484 -1.846 -13.594 1.00 1.00 H new ATOM 0 HE3 LYS A 20 0.845 -3.145 -14.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -1.528 -2.970 -13.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -0.808 -4.507 -13.795 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -0.928 -3.588 -12.373 1.00 1.00 H new ATOM 312 N CYS A 21 2.486 -7.165 -8.599 1.00 1.00 N ATOM 313 CA CYS A 21 3.082 -8.284 -7.821 1.00 1.00 C ATOM 314 C CYS A 21 2.186 -9.452 -8.253 1.00 1.00 C ATOM 315 O CYS A 21 1.022 -9.479 -7.907 1.00 1.00 O ATOM 316 CB CYS A 21 2.998 -7.930 -6.323 1.00 1.00 C ATOM 317 SG CYS A 21 3.609 -9.151 -5.137 1.00 1.00 S ATOM 0 H CYS A 21 1.728 -6.658 -8.142 1.00 1.00 H new ATOM 0 HA CYS A 21 4.135 -8.508 -7.990 1.00 1.00 H new ATOM 0 HB2 CYS A 21 3.550 -7.004 -6.166 1.00 1.00 H new ATOM 0 HB3 CYS A 21 1.955 -7.724 -6.085 1.00 1.00 H new ATOM 322 N LYS A 22 2.759 -10.385 -8.991 1.00 1.00 N ATOM 323 CA LYS A 22 1.949 -11.564 -9.493 1.00 1.00 C ATOM 324 C LYS A 22 2.316 -12.972 -9.006 1.00 1.00 C ATOM 325 O LYS A 22 3.451 -13.267 -8.690 1.00 1.00 O ATOM 326 CB LYS A 22 2.002 -11.579 -11.042 1.00 1.00 C ATOM 327 CG LYS A 22 1.598 -10.211 -11.668 1.00 1.00 C ATOM 328 CD LYS A 22 0.199 -9.724 -11.209 1.00 1.00 C ATOM 329 CE LYS A 22 -0.894 -10.766 -11.517 1.00 1.00 C ATOM 330 NZ LYS A 22 -2.219 -10.243 -11.077 1.00 1.00 N ATOM 0 H LYS A 22 3.741 -10.386 -9.267 1.00 1.00 H new ATOM 0 HA LYS A 22 0.963 -11.381 -9.065 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.010 -11.839 -11.365 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.337 -12.357 -11.417 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.343 -9.461 -11.401 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.608 -10.298 -12.754 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.217 -9.521 -10.138 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -0.042 -8.785 -11.708 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.913 -10.983 -12.585 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.673 -11.703 -11.005 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -2.884 -11.034 -10.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.112 -9.748 -10.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.586 -9.582 -11.791 1.00 1.00 H new ATOM 344 N ARG A 23 1.288 -13.788 -8.988 1.00 1.00 N ATOM 345 CA ARG A 23 1.378 -15.214 -8.547 1.00 1.00 C ATOM 346 C ARG A 23 1.172 -16.217 -9.686 1.00 1.00 C ATOM 347 O ARG A 23 0.086 -16.698 -9.937 1.00 1.00 O ATOM 348 CB ARG A 23 0.322 -15.432 -7.382 1.00 1.00 C ATOM 349 CG ARG A 23 -1.056 -14.706 -7.563 1.00 1.00 C ATOM 350 CD ARG A 23 -1.976 -15.365 -8.603 1.00 1.00 C ATOM 351 NE ARG A 23 -2.080 -16.825 -8.283 1.00 1.00 N ATOM 352 CZ ARG A 23 -3.223 -17.357 -7.942 1.00 1.00 C ATOM 353 NH1 ARG A 23 -4.209 -17.349 -8.796 1.00 1.00 N ATOM 354 NH2 ARG A 23 -3.338 -17.882 -6.753 1.00 1.00 N ATOM 0 H ARG A 23 0.350 -13.508 -9.274 1.00 1.00 H new ATOM 0 HA ARG A 23 2.390 -15.404 -8.189 1.00 1.00 H new ATOM 0 HB2 ARG A 23 0.137 -16.501 -7.281 1.00 1.00 H new ATOM 0 HB3 ARG A 23 0.768 -15.096 -6.446 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -1.570 -14.680 -6.602 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -0.875 -13.672 -7.856 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -2.962 -14.901 -8.585 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -1.576 -15.224 -9.607 1.00 1.00 H new ATOM 0 HE ARG A 23 -1.247 -17.411 -8.332 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -4.082 -16.931 -9.718 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -5.107 -17.761 -8.542 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -2.545 -17.871 -6.112 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -4.221 -18.303 -6.465 1.00 1.00 H new ATOM 368 N ARG A 24 2.256 -16.515 -10.357 1.00 1.00 N ATOM 369 CA ARG A 24 2.194 -17.485 -11.495 1.00 1.00 C ATOM 370 C ARG A 24 2.576 -18.857 -10.925 1.00 1.00 C ATOM 371 O ARG A 24 3.469 -19.555 -11.366 1.00 1.00 O ATOM 372 CB ARG A 24 3.184 -17.010 -12.588 1.00 1.00 C ATOM 373 CG ARG A 24 2.872 -15.542 -13.008 1.00 1.00 C ATOM 374 CD ARG A 24 1.413 -15.378 -13.495 1.00 1.00 C ATOM 375 NE ARG A 24 1.187 -16.305 -14.644 1.00 1.00 N ATOM 376 CZ ARG A 24 0.854 -15.827 -15.813 1.00 1.00 C ATOM 377 NH1 ARG A 24 1.797 -15.427 -16.621 1.00 1.00 N ATOM 378 NH2 ARG A 24 -0.409 -15.766 -16.133 1.00 1.00 N ATOM 0 H ARG A 24 3.181 -16.129 -10.167 1.00 1.00 H new ATOM 0 HA ARG A 24 1.205 -17.549 -11.949 1.00 1.00 H new ATOM 0 HB2 ARG A 24 4.206 -17.078 -12.215 1.00 1.00 H new ATOM 0 HB3 ARG A 24 3.117 -17.665 -13.457 1.00 1.00 H new ATOM 0 HG2 ARG A 24 3.049 -14.877 -12.163 1.00 1.00 H new ATOM 0 HG3 ARG A 24 3.556 -15.238 -13.801 1.00 1.00 H new ATOM 0 HD2 ARG A 24 0.717 -15.601 -12.686 1.00 1.00 H new ATOM 0 HD3 ARG A 24 1.229 -14.347 -13.799 1.00 1.00 H new ATOM 0 HE ARG A 24 1.293 -17.311 -14.516 1.00 1.00 H new ATOM 0 HH11 ARG A 24 2.774 -15.491 -16.336 1.00 1.00 H new ATOM 0 HH12 ARG A 24 1.557 -15.051 -17.538 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -1.118 -16.089 -15.475 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -0.688 -15.396 -17.042 1.00 1.00 H new ATOM 392 N GLY A 25 1.802 -19.145 -9.913 1.00 1.00 N ATOM 393 CA GLY A 25 1.844 -20.363 -9.097 1.00 1.00 C ATOM 394 C GLY A 25 0.404 -20.707 -8.721 1.00 1.00 C ATOM 395 O GLY A 25 -0.534 -20.147 -9.258 1.00 1.00 O ATOM 0 H GLY A 25 1.072 -18.503 -9.604 1.00 1.00 H new ATOM 0 HA2 GLY A 25 2.302 -21.182 -9.652 1.00 1.00 H new ATOM 0 HA3 GLY A 25 2.448 -20.206 -8.203 1.00 1.00 H new ATOM 399 N THR A 26 0.277 -21.623 -7.800 1.00 1.00 N ATOM 400 CA THR A 26 -1.069 -22.050 -7.338 1.00 1.00 C ATOM 401 C THR A 26 -1.492 -21.163 -6.158 1.00 1.00 C ATOM 402 O THR A 26 -2.609 -20.682 -6.127 1.00 1.00 O ATOM 403 CB THR A 26 -0.991 -23.564 -6.953 1.00 1.00 C ATOM 404 OG1 THR A 26 -2.323 -23.899 -6.586 1.00 1.00 O ATOM 405 CG2 THR A 26 -0.175 -23.859 -5.685 1.00 1.00 C ATOM 0 H THR A 26 1.057 -22.097 -7.345 1.00 1.00 H new ATOM 0 HA THR A 26 -1.823 -21.936 -8.117 1.00 1.00 H new ATOM 0 HB THR A 26 -0.538 -24.101 -7.786 1.00 1.00 H new ATOM 0 HG1 THR A 26 -2.364 -24.844 -6.329 1.00 1.00 H new ATOM 0 HG21 THR A 26 -0.175 -24.932 -5.494 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.850 -23.515 -5.824 1.00 1.00 H new ATOM 0 HG23 THR A 26 -0.621 -23.340 -4.837 1.00 1.00 H new ATOM 413 N ASN A 27 -0.592 -20.972 -5.228 1.00 1.00 N ATOM 414 CA ASN A 27 -0.897 -20.116 -4.034 1.00 1.00 C ATOM 415 C ASN A 27 -0.978 -18.649 -4.484 1.00 1.00 C ATOM 416 O ASN A 27 -0.445 -18.295 -5.519 1.00 1.00 O ATOM 417 CB ASN A 27 0.218 -20.215 -2.972 1.00 1.00 C ATOM 418 CG ASN A 27 0.380 -21.643 -2.444 1.00 1.00 C ATOM 419 OD1 ASN A 27 0.800 -22.540 -3.147 1.00 1.00 O ATOM 420 ND2 ASN A 27 0.058 -21.895 -1.205 1.00 1.00 N ATOM 0 H ASN A 27 0.346 -21.372 -5.241 1.00 1.00 H new ATOM 0 HA ASN A 27 -1.837 -20.461 -3.603 1.00 1.00 H new ATOM 0 HB2 ASN A 27 1.161 -19.879 -3.403 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -0.010 -19.545 -2.143 1.00 1.00 H new ATOM 0 HD21 ASN A 27 0.160 -22.840 -0.834 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -0.295 -21.147 -0.608 1.00 1.00 H new ATOM 427 N ILE A 28 -1.639 -17.835 -3.697 1.00 1.00 N ATOM 428 CA ILE A 28 -1.758 -16.387 -4.056 1.00 1.00 C ATOM 429 C ILE A 28 -0.398 -15.722 -3.877 1.00 1.00 C ATOM 430 O ILE A 28 -0.148 -14.708 -4.492 1.00 1.00 O ATOM 431 CB ILE A 28 -2.797 -15.701 -3.163 1.00 1.00 C ATOM 432 CG1 ILE A 28 -4.160 -16.373 -3.452 1.00 1.00 C ATOM 433 CG2 ILE A 28 -2.849 -14.179 -3.530 1.00 1.00 C ATOM 434 CD1 ILE A 28 -5.255 -15.812 -2.522 1.00 1.00 C ATOM 0 H ILE A 28 -2.098 -18.108 -2.828 1.00 1.00 H new ATOM 0 HA ILE A 28 -2.082 -16.295 -5.093 1.00 1.00 H new ATOM 0 HB ILE A 28 -2.548 -15.795 -2.106 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -4.440 -16.206 -4.492 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.076 -17.451 -3.313 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -3.585 -13.678 -2.901 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -1.868 -13.732 -3.367 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.130 -14.067 -4.577 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -6.205 -16.299 -2.743 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.983 -16.002 -1.484 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.352 -14.738 -2.681 1.00 1.00 H new ATOM 446 N GLU A 29 0.417 -16.313 -3.032 1.00 1.00 N ATOM 447 CA GLU A 29 1.795 -15.811 -2.733 1.00 1.00 C ATOM 448 C GLU A 29 2.413 -15.312 -4.046 1.00 1.00 C ATOM 449 O GLU A 29 2.926 -16.096 -4.822 1.00 1.00 O ATOM 450 CB GLU A 29 2.629 -16.968 -2.147 1.00 1.00 C ATOM 451 CG GLU A 29 1.992 -17.479 -0.837 1.00 1.00 C ATOM 452 CD GLU A 29 2.775 -18.708 -0.336 1.00 1.00 C ATOM 453 OE1 GLU A 29 3.929 -18.516 0.017 1.00 1.00 O ATOM 454 OE2 GLU A 29 2.176 -19.772 -0.337 1.00 1.00 O ATOM 0 H GLU A 29 0.169 -17.158 -2.518 1.00 1.00 H new ATOM 0 HA GLU A 29 1.770 -14.996 -2.009 1.00 1.00 H new ATOM 0 HB2 GLU A 29 2.693 -17.782 -2.870 1.00 1.00 H new ATOM 0 HB3 GLU A 29 3.648 -16.631 -1.956 1.00 1.00 H new ATOM 0 HG2 GLU A 29 2.005 -16.693 -0.082 1.00 1.00 H new ATOM 0 HG3 GLU A 29 0.948 -17.742 -1.005 1.00 1.00 H new ATOM 461 N LYS A 30 2.337 -14.020 -4.251 1.00 1.00 N ATOM 462 CA LYS A 30 2.900 -13.436 -5.507 1.00 1.00 C ATOM 463 C LYS A 30 4.181 -12.667 -5.261 1.00 1.00 C ATOM 464 O LYS A 30 4.470 -12.303 -4.142 1.00 1.00 O ATOM 465 CB LYS A 30 1.860 -12.498 -6.129 1.00 1.00 C ATOM 466 CG LYS A 30 1.417 -11.405 -5.178 1.00 1.00 C ATOM 467 CD LYS A 30 -0.074 -11.476 -4.914 1.00 1.00 C ATOM 468 CE LYS A 30 -0.892 -11.207 -6.189 1.00 1.00 C ATOM 469 NZ LYS A 30 -2.305 -11.607 -5.962 1.00 1.00 N ATOM 0 H LYS A 30 1.913 -13.350 -3.609 1.00 1.00 H new ATOM 0 HA LYS A 30 3.136 -14.260 -6.181 1.00 1.00 H new ATOM 0 HB2 LYS A 30 2.277 -12.045 -7.028 1.00 1.00 H new ATOM 0 HB3 LYS A 30 0.991 -13.079 -6.438 1.00 1.00 H new ATOM 0 HG2 LYS A 30 1.960 -11.496 -4.237 1.00 1.00 H new ATOM 0 HG3 LYS A 30 1.668 -10.431 -5.598 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -0.327 -12.460 -4.520 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -0.343 -10.748 -4.149 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -0.839 -10.151 -6.452 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -0.474 -11.765 -7.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -2.912 -11.160 -6.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -2.389 -12.641 -6.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -2.605 -11.300 -5.015 1.00 1.00 H new ATOM 483 N ARG A 31 4.905 -12.438 -6.325 1.00 1.00 N ATOM 484 CA ARG A 31 6.179 -11.697 -6.228 1.00 1.00 C ATOM 485 C ARG A 31 5.942 -10.324 -6.832 1.00 1.00 C ATOM 486 O ARG A 31 5.104 -10.204 -7.706 1.00 1.00 O ATOM 487 CB ARG A 31 7.275 -12.404 -7.025 1.00 1.00 C ATOM 488 CG ARG A 31 7.392 -13.881 -6.646 1.00 1.00 C ATOM 489 CD ARG A 31 7.673 -14.086 -5.145 1.00 1.00 C ATOM 490 NE ARG A 31 7.557 -15.554 -4.880 1.00 1.00 N ATOM 491 CZ ARG A 31 6.633 -16.031 -4.084 1.00 1.00 C ATOM 492 NH1 ARG A 31 5.498 -15.401 -3.941 1.00 1.00 N ATOM 493 NH2 ARG A 31 6.880 -17.142 -3.448 1.00 1.00 N ATOM 0 H ARG A 31 4.657 -12.741 -7.267 1.00 1.00 H new ATOM 0 HA ARG A 31 6.498 -11.633 -5.188 1.00 1.00 H new ATOM 0 HB2 ARG A 31 7.062 -12.318 -8.091 1.00 1.00 H new ATOM 0 HB3 ARG A 31 8.229 -11.907 -6.850 1.00 1.00 H new ATOM 0 HG2 ARG A 31 6.469 -14.395 -6.913 1.00 1.00 H new ATOM 0 HG3 ARG A 31 8.192 -14.340 -7.228 1.00 1.00 H new ATOM 0 HD2 ARG A 31 8.668 -13.724 -4.885 1.00 1.00 H new ATOM 0 HD3 ARG A 31 6.961 -13.526 -4.538 1.00 1.00 H new ATOM 0 HE ARG A 31 8.211 -16.196 -5.328 1.00 1.00 H new ATOM 0 HH11 ARG A 31 5.328 -14.534 -4.450 1.00 1.00 H new ATOM 0 HH12 ARG A 31 4.781 -15.776 -3.320 1.00 1.00 H new ATOM 0 HH21 ARG A 31 7.774 -17.616 -3.577 1.00 1.00 H new ATOM 0 HH22 ARG A 31 6.179 -17.537 -2.821 1.00 1.00 H new ATOM 507 N CYS A 32 6.706 -9.372 -6.349 1.00 1.00 N ATOM 508 CA CYS A 32 6.614 -7.944 -6.812 1.00 1.00 C ATOM 509 C CYS A 32 7.240 -7.643 -8.182 1.00 1.00 C ATOM 510 O CYS A 32 8.446 -7.582 -8.323 1.00 1.00 O ATOM 511 CB CYS A 32 7.276 -7.046 -5.739 1.00 1.00 C ATOM 512 SG CYS A 32 6.208 -6.198 -4.547 1.00 1.00 S ATOM 0 H CYS A 32 7.412 -9.529 -5.630 1.00 1.00 H new ATOM 0 HA CYS A 32 5.551 -7.738 -6.941 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.977 -7.663 -5.177 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.863 -6.288 -6.257 1.00 1.00 H new ATOM 517 N ARG A 33 6.377 -7.467 -9.154 1.00 1.00 N ATOM 518 CA ARG A 33 6.798 -7.162 -10.549 1.00 1.00 C ATOM 519 C ARG A 33 6.152 -5.809 -10.970 1.00 1.00 C ATOM 520 O ARG A 33 5.363 -5.272 -10.197 1.00 1.00 O ATOM 521 CB ARG A 33 6.318 -8.320 -11.463 1.00 1.00 C ATOM 522 CG ARG A 33 6.209 -9.641 -10.658 1.00 1.00 C ATOM 523 CD ARG A 33 5.694 -10.785 -11.519 1.00 1.00 C ATOM 524 NE ARG A 33 5.342 -11.898 -10.583 1.00 1.00 N ATOM 525 CZ ARG A 33 5.927 -13.063 -10.670 1.00 1.00 C ATOM 526 NH1 ARG A 33 7.227 -13.132 -10.581 1.00 1.00 N ATOM 527 NH2 ARG A 33 5.184 -14.121 -10.842 1.00 1.00 N ATOM 528 OXT ARG A 33 6.487 -5.381 -12.062 1.00 1.00 O ATOM 0 H ARG A 33 5.366 -7.525 -9.028 1.00 1.00 H new ATOM 0 HA ARG A 33 7.881 -7.073 -10.632 1.00 1.00 H new ATOM 0 HB2 ARG A 33 5.349 -8.071 -11.896 1.00 1.00 H new ATOM 0 HB3 ARG A 33 7.014 -8.449 -12.292 1.00 1.00 H new ATOM 0 HG2 ARG A 33 7.187 -9.902 -10.253 1.00 1.00 H new ATOM 0 HG3 ARG A 33 5.541 -9.496 -9.809 1.00 1.00 H new ATOM 0 HD2 ARG A 33 4.823 -10.474 -12.096 1.00 1.00 H new ATOM 0 HD3 ARG A 33 6.453 -11.105 -12.233 1.00 1.00 H new ATOM 0 HE ARG A 33 4.634 -11.745 -9.865 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.775 -12.282 -10.445 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.695 -14.036 -10.647 1.00 1.00 H new ATOM 0 HH21 ARG A 33 4.170 -14.027 -10.906 1.00 1.00 H new ATOM 0 HH22 ARG A 33 5.617 -15.042 -10.913 1.00 1.00 H new TER 542 ARG A 33