USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 436 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 3 GLN : amide:sc= 0.263 X(o=0.38,f=0.2) USER MOD Set 1.2: A 23 GLN : amide:sc= 0.121 X(o=0.38,f=0.2) USER MOD Set 2.1: A 1 ALA N :NH3+ 165:sc= 0.81 (180deg=0.663) USER MOD Set 2.2: A 26 LYS NZ :NH3+ 174:sc=-0.00307 (180deg=-0.0622) USER MOD Single : A 5 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD Single : A 11 SER OG : rot 180:sc= 0.354 USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -0.153 (180deg=-0.389) USER MOD Single : A 16 HIS : no HE2:sc= 0.916 K(o=0.92,f=-6.9!) USER MOD Single : A 20 GLN : amide:sc= -0.297 K(o=-0.3,f=-0.83) USER MOD Single : A 24 THR OG1 : rot -89:sc= 1.15 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.835 K(o=0.84,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.906 X(o=-0.91,f=-0.89) USER MOD Single : A 44 ASN : amide:sc= -0.289 K(o=-0.29,f=-4.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= -0.191 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.678 -9.485 7.818 1.00 0.00 N ATOM 2 CA ALA A 1 -5.846 -10.901 8.186 1.00 0.00 C ATOM 3 C ALA A 1 -4.577 -11.707 7.882 1.00 0.00 C ATOM 4 O ALA A 1 -3.544 -11.451 8.498 1.00 0.00 O ATOM 5 CB ALA A 1 -7.116 -11.479 7.549 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.608 -9.021 7.791 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.075 -9.013 8.522 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.232 -9.420 6.881 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.988 -10.975 9.264 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.222 -12.526 7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.984 -10.919 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.046 -11.403 6.464 1.00 0.00 H new ATOM 13 N ARG A 2 -4.638 -12.670 6.950 1.00 0.00 N ATOM 14 CA ARG A 2 -3.513 -13.521 6.582 1.00 0.00 C ATOM 15 C ARG A 2 -3.732 -14.107 5.182 1.00 0.00 C ATOM 16 O ARG A 2 -4.687 -13.746 4.495 1.00 0.00 O ATOM 17 CB ARG A 2 -3.276 -14.608 7.653 1.00 0.00 C ATOM 18 CG ARG A 2 -4.357 -15.700 7.729 1.00 0.00 C ATOM 19 CD ARG A 2 -5.513 -15.349 8.669 1.00 0.00 C ATOM 20 NE ARG A 2 -6.617 -16.300 8.499 1.00 0.00 N ATOM 21 CZ ARG A 2 -7.823 -16.192 9.076 1.00 0.00 C ATOM 22 NH1 ARG A 2 -8.063 -15.251 10.000 1.00 0.00 N ATOM 23 NH2 ARG A 2 -8.795 -17.036 8.710 1.00 0.00 N ATOM 0 H ARG A 2 -5.488 -12.877 6.426 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.604 -12.921 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.315 -15.084 7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.201 -14.125 8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.753 -15.878 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.899 -16.632 8.061 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.167 -15.364 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.862 -14.337 8.465 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.455 -17.106 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.323 -14.604 10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.985 -15.182 10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.613 -17.748 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.718 -16.968 9.139 1.00 0.00 H new ATOM 37 N GLN A 3 -2.846 -15.024 4.773 1.00 0.00 N ATOM 38 CA GLN A 3 -2.925 -15.755 3.515 1.00 0.00 C ATOM 39 C GLN A 3 -4.219 -16.570 3.454 1.00 0.00 C ATOM 40 O GLN A 3 -5.011 -16.409 2.527 1.00 0.00 O ATOM 41 CB GLN A 3 -1.686 -16.659 3.402 1.00 0.00 C ATOM 42 CG GLN A 3 -1.621 -17.441 2.084 1.00 0.00 C ATOM 43 CD GLN A 3 -1.349 -16.534 0.888 1.00 0.00 C ATOM 44 OE1 GLN A 3 -2.249 -16.243 0.104 1.00 0.00 O ATOM 45 NE2 GLN A 3 -0.098 -16.093 0.745 1.00 0.00 N ATOM 0 H GLN A 3 -2.031 -15.281 5.330 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.941 -15.061 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.789 -16.047 3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.682 -17.363 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.838 -18.197 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.562 -17.969 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.617 -16.360 1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.143 -15.488 -0.040 1.00 0.00 H new ATOM 54 N GLU A 4 -4.421 -17.445 4.446 1.00 0.00 N ATOM 55 CA GLU A 4 -5.575 -18.329 4.545 1.00 0.00 C ATOM 56 C GLU A 4 -6.791 -17.579 5.103 1.00 0.00 C ATOM 57 O GLU A 4 -7.312 -17.919 6.165 1.00 0.00 O ATOM 58 CB GLU A 4 -5.209 -19.588 5.353 1.00 0.00 C ATOM 59 CG GLU A 4 -4.574 -19.313 6.726 1.00 0.00 C ATOM 60 CD GLU A 4 -4.382 -20.610 7.504 1.00 0.00 C ATOM 61 OE1 GLU A 4 -3.351 -21.273 7.259 1.00 0.00 O ATOM 62 OE2 GLU A 4 -5.269 -20.917 8.330 1.00 0.00 O ATOM 0 H GLU A 4 -3.766 -17.556 5.220 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.862 -18.667 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.110 -20.184 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.519 -20.192 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.612 -18.817 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.208 -18.633 7.295 1.00 0.00 H new ATOM 69 N ASN A 5 -7.247 -16.557 4.368 1.00 0.00 N ATOM 70 CA ASN A 5 -8.416 -15.761 4.706 1.00 0.00 C ATOM 71 C ASN A 5 -9.064 -15.247 3.415 1.00 0.00 C ATOM 72 O ASN A 5 -8.347 -14.722 2.564 1.00 0.00 O ATOM 73 CB ASN A 5 -7.990 -14.581 5.588 1.00 0.00 C ATOM 74 CG ASN A 5 -9.193 -13.804 6.119 1.00 0.00 C ATOM 75 OD1 ASN A 5 -9.637 -14.038 7.240 1.00 0.00 O ATOM 76 ND2 ASN A 5 -9.726 -12.877 5.322 1.00 0.00 N ATOM 0 H ASN A 5 -6.797 -16.260 3.502 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.136 -16.370 5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.397 -14.949 6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.350 -13.911 5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.530 -12.334 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.330 -12.711 4.397 1.00 0.00 H new ATOM 83 N PRO A 6 -10.394 -15.362 3.251 1.00 0.00 N ATOM 84 CA PRO A 6 -11.104 -14.786 2.120 1.00 0.00 C ATOM 85 C PRO A 6 -11.147 -13.265 2.290 1.00 0.00 C ATOM 86 O PRO A 6 -11.950 -12.744 3.063 1.00 0.00 O ATOM 87 CB PRO A 6 -12.497 -15.422 2.152 1.00 0.00 C ATOM 88 CG PRO A 6 -12.724 -15.717 3.634 1.00 0.00 C ATOM 89 CD PRO A 6 -11.320 -16.028 4.155 1.00 0.00 C ATOM 0 HA PRO A 6 -10.629 -14.979 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.255 -14.746 1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.537 -16.331 1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.164 -14.864 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.401 -16.559 3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.195 -15.667 5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.141 -17.103 4.173 1.00 0.00 H new ATOM 97 N CYS A 7 -10.263 -12.551 1.584 1.00 0.00 N ATOM 98 CA CYS A 7 -10.078 -11.123 1.768 1.00 0.00 C ATOM 99 C CYS A 7 -11.304 -10.344 1.298 1.00 0.00 C ATOM 100 O CYS A 7 -11.841 -10.610 0.224 1.00 0.00 O ATOM 101 CB CYS A 7 -8.837 -10.647 1.011 1.00 0.00 C ATOM 102 SG CYS A 7 -7.268 -11.482 1.367 1.00 0.00 S ATOM 0 H CYS A 7 -9.658 -12.956 0.869 1.00 0.00 H new ATOM 0 HA CYS A 7 -9.941 -10.937 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -9.036 -10.745 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.706 -9.584 1.214 1.00 0.00 H new ATOM 107 N GLY A 8 -11.725 -9.372 2.113 1.00 0.00 N ATOM 108 CA GLY A 8 -12.826 -8.471 1.823 1.00 0.00 C ATOM 109 C GLY A 8 -12.311 -7.181 1.181 1.00 0.00 C ATOM 110 O GLY A 8 -11.118 -7.062 0.904 1.00 0.00 O ATOM 0 H GLY A 8 -11.291 -9.192 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.535 -8.958 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.363 -8.237 2.742 1.00 0.00 H new ATOM 114 N PRO A 9 -13.203 -6.209 0.942 1.00 0.00 N ATOM 115 CA PRO A 9 -12.866 -4.929 0.342 1.00 0.00 C ATOM 116 C PRO A 9 -12.167 -4.027 1.362 1.00 0.00 C ATOM 117 O PRO A 9 -12.343 -4.191 2.569 1.00 0.00 O ATOM 118 CB PRO A 9 -14.205 -4.340 -0.109 1.00 0.00 C ATOM 119 CG PRO A 9 -15.190 -4.905 0.914 1.00 0.00 C ATOM 120 CD PRO A 9 -14.624 -6.290 1.228 1.00 0.00 C ATOM 0 HA PRO A 9 -12.174 -5.028 -0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.191 -3.250 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.458 -4.644 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.243 -4.282 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.199 -4.967 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.799 -6.557 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.103 -7.056 0.618 1.00 0.00 H new ATOM 128 N CYS A 10 -11.369 -3.072 0.869 1.00 0.00 N ATOM 129 CA CYS A 10 -10.625 -2.137 1.703 1.00 0.00 C ATOM 130 C CYS A 10 -11.583 -1.195 2.432 1.00 0.00 C ATOM 131 O CYS A 10 -11.540 -1.094 3.656 1.00 0.00 O ATOM 132 CB CYS A 10 -9.627 -1.341 0.854 1.00 0.00 C ATOM 133 SG CYS A 10 -8.488 -2.322 -0.156 1.00 0.00 S ATOM 0 H CYS A 10 -11.224 -2.930 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.067 -2.704 2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.188 -0.678 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.039 -0.707 1.518 1.00 0.00 H new ATOM 138 N SER A 11 -12.448 -0.516 1.669 1.00 0.00 N ATOM 139 CA SER A 11 -13.508 0.335 2.192 1.00 0.00 C ATOM 140 C SER A 11 -14.760 -0.522 2.427 1.00 0.00 C ATOM 141 O SER A 11 -14.654 -1.728 2.645 1.00 0.00 O ATOM 142 CB SER A 11 -13.744 1.489 1.206 1.00 0.00 C ATOM 143 OG SER A 11 -14.603 2.470 1.750 1.00 0.00 O ATOM 0 H SER A 11 -12.425 -0.548 0.650 1.00 0.00 H new ATOM 0 HA SER A 11 -13.235 0.777 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.789 1.945 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.175 1.098 0.284 1.00 0.00 H new ATOM 0 HG SER A 11 -14.731 3.191 1.098 1.00 0.00 H new ATOM 149 N GLU A 12 -15.945 0.096 2.374 1.00 0.00 N ATOM 150 CA GLU A 12 -17.222 -0.584 2.536 1.00 0.00 C ATOM 151 C GLU A 12 -17.395 -1.637 1.440 1.00 0.00 C ATOM 152 O GLU A 12 -17.552 -2.820 1.734 1.00 0.00 O ATOM 153 CB GLU A 12 -18.371 0.436 2.510 1.00 0.00 C ATOM 154 CG GLU A 12 -18.241 1.528 3.582 1.00 0.00 C ATOM 155 CD GLU A 12 -18.173 0.947 4.992 1.00 0.00 C ATOM 156 OE1 GLU A 12 -19.239 0.510 5.478 1.00 0.00 O ATOM 157 OE2 GLU A 12 -17.058 0.949 5.557 1.00 0.00 O ATOM 0 H GLU A 12 -16.038 1.099 2.214 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.241 -1.090 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.409 0.905 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.316 -0.089 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.345 2.118 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.091 2.207 3.511 1.00 0.00 H new ATOM 164 N ARG A 13 -17.365 -1.194 0.178 1.00 0.00 N ATOM 165 CA ARG A 13 -17.374 -2.062 -0.989 1.00 0.00 C ATOM 166 C ARG A 13 -16.636 -1.371 -2.133 1.00 0.00 C ATOM 167 O ARG A 13 -15.627 -1.876 -2.623 1.00 0.00 O ATOM 168 CB ARG A 13 -18.818 -2.418 -1.367 1.00 0.00 C ATOM 169 CG ARG A 13 -18.858 -3.473 -2.482 1.00 0.00 C ATOM 170 CD ARG A 13 -20.286 -3.693 -2.987 1.00 0.00 C ATOM 171 NE ARG A 13 -21.163 -4.192 -1.922 1.00 0.00 N ATOM 172 CZ ARG A 13 -22.491 -4.358 -2.039 1.00 0.00 C ATOM 173 NH1 ARG A 13 -23.120 -4.072 -3.187 1.00 0.00 N ATOM 174 NH2 ARG A 13 -23.194 -4.816 -0.995 1.00 0.00 N ATOM 0 H ARG A 13 -17.333 -0.202 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.858 -2.996 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -19.344 -2.793 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -19.343 -1.520 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.222 -3.156 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.452 -4.414 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -20.683 -2.756 -3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -20.275 -4.404 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.733 -4.430 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -22.590 -3.724 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.129 -4.203 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.721 -5.036 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.203 -4.945 -1.076 1.00 0.00 H new ATOM 188 N ARG A 14 -17.157 -0.215 -2.559 1.00 0.00 N ATOM 189 CA ARG A 14 -16.669 0.530 -3.709 1.00 0.00 C ATOM 190 C ARG A 14 -15.495 1.425 -3.306 1.00 0.00 C ATOM 191 O ARG A 14 -15.601 2.650 -3.326 1.00 0.00 O ATOM 192 CB ARG A 14 -17.828 1.336 -4.317 1.00 0.00 C ATOM 193 CG ARG A 14 -19.037 0.481 -4.731 1.00 0.00 C ATOM 194 CD ARG A 14 -18.686 -0.760 -5.563 1.00 0.00 C ATOM 195 NE ARG A 14 -17.828 -0.437 -6.710 1.00 0.00 N ATOM 196 CZ ARG A 14 -17.401 -1.328 -7.619 1.00 0.00 C ATOM 197 NH1 ARG A 14 -17.781 -2.612 -7.560 1.00 0.00 N ATOM 198 NH2 ARG A 14 -16.581 -0.923 -8.597 1.00 0.00 N ATOM 0 H ARG A 14 -17.949 0.233 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.297 -0.158 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.155 2.083 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.462 1.876 -5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.565 0.162 -3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.726 1.102 -5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.182 -1.489 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.604 -1.228 -5.919 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.536 0.533 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.404 -2.926 -6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.447 -3.275 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -16.288 0.053 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.250 -1.590 -9.294 1.00 0.00 H new ATOM 212 N LYS A 15 -14.371 0.795 -2.944 1.00 0.00 N ATOM 213 CA LYS A 15 -13.145 1.478 -2.550 1.00 0.00 C ATOM 214 C LYS A 15 -12.598 2.338 -3.692 1.00 0.00 C ATOM 215 O LYS A 15 -12.495 3.554 -3.543 1.00 0.00 O ATOM 216 CB LYS A 15 -12.074 0.509 -2.005 1.00 0.00 C ATOM 217 CG LYS A 15 -12.335 -1.002 -2.092 1.00 0.00 C ATOM 218 CD LYS A 15 -12.253 -1.552 -3.524 1.00 0.00 C ATOM 219 CE LYS A 15 -12.388 -3.079 -3.545 1.00 0.00 C ATOM 220 NZ LYS A 15 -11.248 -3.745 -2.892 1.00 0.00 N ATOM 0 H LYS A 15 -14.292 -0.222 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.406 2.142 -1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.143 0.715 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.907 0.756 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.611 -1.525 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.322 -1.217 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.041 -1.107 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.303 -1.263 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.312 -3.368 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.465 -3.422 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.254 -4.757 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.360 -3.316 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.324 -3.632 -1.861 1.00 0.00 H new ATOM 234 N HIS A 16 -12.244 1.695 -4.813 1.00 0.00 N ATOM 235 CA HIS A 16 -11.691 2.298 -6.023 1.00 0.00 C ATOM 236 C HIS A 16 -10.261 2.813 -5.819 1.00 0.00 C ATOM 237 O HIS A 16 -9.329 2.287 -6.423 1.00 0.00 O ATOM 238 CB HIS A 16 -12.613 3.382 -6.606 1.00 0.00 C ATOM 239 CG HIS A 16 -14.019 2.923 -6.904 1.00 0.00 C ATOM 240 ND1 HIS A 16 -15.078 3.814 -6.999 1.00 0.00 N ATOM 241 CD2 HIS A 16 -14.562 1.688 -7.168 1.00 0.00 C ATOM 242 CE1 HIS A 16 -16.170 3.104 -7.326 1.00 0.00 C ATOM 243 NE2 HIS A 16 -15.921 1.799 -7.445 1.00 0.00 N ATOM 0 H HIS A 16 -12.343 0.684 -4.900 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.633 1.500 -6.763 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.659 4.216 -5.905 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.167 3.762 -7.525 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -15.035 4.822 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.010 0.760 -7.161 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.145 3.543 -7.477 1.00 0.00 H new ATOM 251 N LEU A 17 -10.085 3.841 -4.980 1.00 0.00 N ATOM 252 CA LEU A 17 -8.828 4.561 -4.796 1.00 0.00 C ATOM 253 C LEU A 17 -7.927 3.857 -3.775 1.00 0.00 C ATOM 254 O LEU A 17 -7.317 4.507 -2.925 1.00 0.00 O ATOM 255 CB LEU A 17 -9.141 6.005 -4.369 1.00 0.00 C ATOM 256 CG LEU A 17 -10.098 6.748 -5.317 1.00 0.00 C ATOM 257 CD1 LEU A 17 -10.335 8.159 -4.769 1.00 0.00 C ATOM 258 CD2 LEU A 17 -9.538 6.845 -6.742 1.00 0.00 C ATOM 0 H LEU A 17 -10.838 4.202 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.279 4.576 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.576 5.991 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.207 6.563 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.031 6.186 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.012 8.698 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.776 8.094 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.385 8.691 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.247 7.377 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.591 7.384 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.378 5.843 -7.139 1.00 0.00 H new ATOM 270 N PHE A 18 -7.846 2.525 -3.861 1.00 0.00 N ATOM 271 CA PHE A 18 -7.102 1.679 -2.941 1.00 0.00 C ATOM 272 C PHE A 18 -6.423 0.548 -3.708 1.00 0.00 C ATOM 273 O PHE A 18 -6.876 0.155 -4.782 1.00 0.00 O ATOM 274 CB PHE A 18 -8.036 1.069 -1.884 1.00 0.00 C ATOM 275 CG PHE A 18 -8.649 2.023 -0.871 1.00 0.00 C ATOM 276 CD1 PHE A 18 -9.730 2.851 -1.232 1.00 0.00 C ATOM 277 CD2 PHE A 18 -8.256 1.953 0.480 1.00 0.00 C ATOM 278 CE1 PHE A 18 -10.387 3.627 -0.262 1.00 0.00 C ATOM 279 CE2 PHE A 18 -8.945 2.692 1.458 1.00 0.00 C ATOM 280 CZ PHE A 18 -10.000 3.543 1.086 1.00 0.00 C ATOM 0 H PHE A 18 -8.313 1.996 -4.598 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.354 2.297 -2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.847 0.559 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -7.478 0.308 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.056 2.890 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.422 1.329 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.190 4.288 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.663 2.606 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.512 4.130 1.834 1.00 0.00 H new ATOM 290 N VAL A 19 -5.346 0.024 -3.116 1.00 0.00 N ATOM 291 CA VAL A 19 -4.665 -1.192 -3.526 1.00 0.00 C ATOM 292 C VAL A 19 -4.809 -2.195 -2.379 1.00 0.00 C ATOM 293 O VAL A 19 -4.798 -1.800 -1.213 1.00 0.00 O ATOM 294 CB VAL A 19 -3.193 -0.911 -3.883 1.00 0.00 C ATOM 295 CG1 VAL A 19 -3.109 -0.010 -5.120 1.00 0.00 C ATOM 296 CG2 VAL A 19 -2.395 -0.271 -2.738 1.00 0.00 C ATOM 0 H VAL A 19 -4.912 0.460 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.110 -1.604 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.743 -1.883 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.063 0.181 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.592 -0.504 -5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.612 0.935 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.368 -0.102 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.851 0.681 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.399 -0.937 -1.875 1.00 0.00 H new ATOM 306 N GLN A 20 -4.967 -3.480 -2.719 1.00 0.00 N ATOM 307 CA GLN A 20 -5.188 -4.566 -1.774 1.00 0.00 C ATOM 308 C GLN A 20 -4.139 -5.651 -1.994 1.00 0.00 C ATOM 309 O GLN A 20 -3.767 -5.924 -3.134 1.00 0.00 O ATOM 310 CB GLN A 20 -6.606 -5.120 -1.967 1.00 0.00 C ATOM 311 CG GLN A 20 -6.912 -6.253 -0.976 1.00 0.00 C ATOM 312 CD GLN A 20 -8.392 -6.627 -0.939 1.00 0.00 C ATOM 313 OE1 GLN A 20 -9.266 -5.781 -1.116 1.00 0.00 O ATOM 314 NE2 GLN A 20 -8.673 -7.910 -0.699 1.00 0.00 N ATOM 0 H GLN A 20 -4.943 -3.795 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.094 -4.202 -0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.331 -4.317 -1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.717 -5.488 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.327 -7.132 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.594 -5.952 0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.917 -8.580 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.644 -8.220 -0.657 1.00 0.00 H new ATOM 323 N ASP A 21 -3.682 -6.272 -0.900 1.00 0.00 N ATOM 324 CA ASP A 21 -2.762 -7.395 -0.936 1.00 0.00 C ATOM 325 C ASP A 21 -3.574 -8.661 -0.667 1.00 0.00 C ATOM 326 O ASP A 21 -4.058 -8.817 0.449 1.00 0.00 O ATOM 327 CB ASP A 21 -1.683 -7.210 0.140 1.00 0.00 C ATOM 328 CG ASP A 21 -0.714 -8.391 0.212 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.627 -9.141 -0.785 1.00 0.00 O ATOM 330 OD2 ASP A 21 -0.071 -8.527 1.274 1.00 0.00 O ATOM 0 H ASP A 21 -3.950 -5.998 0.045 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.266 -7.465 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.123 -6.298 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.162 -7.078 1.110 1.00 0.00 H new ATOM 335 N PRO A 22 -3.736 -9.577 -1.635 1.00 0.00 N ATOM 336 CA PRO A 22 -4.492 -10.804 -1.425 1.00 0.00 C ATOM 337 C PRO A 22 -3.776 -11.787 -0.487 1.00 0.00 C ATOM 338 O PRO A 22 -4.388 -12.764 -0.061 1.00 0.00 O ATOM 339 CB PRO A 22 -4.691 -11.394 -2.824 1.00 0.00 C ATOM 340 CG PRO A 22 -3.470 -10.895 -3.593 1.00 0.00 C ATOM 341 CD PRO A 22 -3.221 -9.512 -2.993 1.00 0.00 C ATOM 0 HA PRO A 22 -5.441 -10.601 -0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.733 -12.483 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.620 -11.049 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.612 -11.553 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.663 -10.840 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.159 -9.268 -2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.729 -8.738 -3.568 1.00 0.00 H new ATOM 349 N GLN A 23 -2.497 -11.544 -0.162 1.00 0.00 N ATOM 350 CA GLN A 23 -1.677 -12.439 0.647 1.00 0.00 C ATOM 351 C GLN A 23 -1.786 -12.133 2.147 1.00 0.00 C ATOM 352 O GLN A 23 -1.362 -12.954 2.958 1.00 0.00 O ATOM 353 CB GLN A 23 -0.213 -12.344 0.192 1.00 0.00 C ATOM 354 CG GLN A 23 -0.015 -12.531 -1.321 1.00 0.00 C ATOM 355 CD GLN A 23 -0.456 -13.910 -1.802 1.00 0.00 C ATOM 356 OE1 GLN A 23 0.356 -14.830 -1.869 1.00 0.00 O ATOM 357 NE2 GLN A 23 -1.737 -14.067 -2.137 1.00 0.00 N ATOM 0 H GLN A 23 -2.002 -10.704 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.048 -13.453 0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.185 -11.372 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.371 -13.098 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.579 -11.766 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.036 -12.383 -1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.382 -13.280 -2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.072 -14.974 -2.462 1.00 0.00 H new ATOM 366 N THR A 24 -2.340 -10.970 2.519 1.00 0.00 N ATOM 367 CA THR A 24 -2.573 -10.576 3.908 1.00 0.00 C ATOM 368 C THR A 24 -3.992 -10.041 4.120 1.00 0.00 C ATOM 369 O THR A 24 -4.470 -10.033 5.250 1.00 0.00 O ATOM 370 CB THR A 24 -1.556 -9.514 4.346 1.00 0.00 C ATOM 371 OG1 THR A 24 -1.692 -8.352 3.555 1.00 0.00 O ATOM 372 CG2 THR A 24 -0.113 -10.026 4.296 1.00 0.00 C ATOM 0 H THR A 24 -2.643 -10.266 1.846 1.00 0.00 H new ATOM 0 HA THR A 24 -2.452 -11.471 4.518 1.00 0.00 H new ATOM 0 HB THR A 24 -1.773 -9.273 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.119 -8.426 2.763 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.565 -9.235 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.008 -10.884 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.132 -10.324 3.277 1.00 0.00 H new ATOM 380 N CYS A 25 -4.642 -9.568 3.048 1.00 0.00 N ATOM 381 CA CYS A 25 -5.930 -8.883 3.033 1.00 0.00 C ATOM 382 C CYS A 25 -5.830 -7.441 3.532 1.00 0.00 C ATOM 383 O CYS A 25 -6.858 -6.788 3.705 1.00 0.00 O ATOM 384 CB CYS A 25 -7.016 -9.664 3.786 1.00 0.00 C ATOM 385 SG CYS A 25 -7.144 -11.431 3.409 1.00 0.00 S ATOM 0 H CYS A 25 -4.252 -9.663 2.110 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.234 -8.838 1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.836 -9.555 4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.979 -9.199 3.576 1.00 0.00 H new ATOM 390 N LYS A 26 -4.611 -6.935 3.750 1.00 0.00 N ATOM 391 CA LYS A 26 -4.382 -5.560 4.160 1.00 0.00 C ATOM 392 C LYS A 26 -4.364 -4.668 2.919 1.00 0.00 C ATOM 393 O LYS A 26 -4.114 -5.146 1.811 1.00 0.00 O ATOM 394 CB LYS A 26 -3.082 -5.472 4.970 1.00 0.00 C ATOM 395 CG LYS A 26 -3.181 -6.355 6.224 1.00 0.00 C ATOM 396 CD LYS A 26 -1.909 -6.269 7.074 1.00 0.00 C ATOM 397 CE LYS A 26 -2.032 -7.118 8.347 1.00 0.00 C ATOM 398 NZ LYS A 26 -2.122 -8.560 8.053 1.00 0.00 N ATOM 0 H LYS A 26 -3.754 -7.479 3.644 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.185 -5.210 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.240 -5.791 4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.893 -4.438 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.040 -6.047 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.353 -7.390 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.054 -6.608 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.719 -5.230 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.170 -6.934 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.916 -6.807 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.101 -9.098 8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.011 -8.757 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.318 -8.844 7.458 1.00 0.00 H new ATOM 412 N CYS A 27 -4.651 -3.375 3.111 1.00 0.00 N ATOM 413 CA CYS A 27 -4.783 -2.403 2.037 1.00 0.00 C ATOM 414 C CYS A 27 -4.008 -1.127 2.349 1.00 0.00 C ATOM 415 O CYS A 27 -3.624 -0.874 3.490 1.00 0.00 O ATOM 416 CB CYS A 27 -6.258 -2.034 1.839 1.00 0.00 C ATOM 417 SG CYS A 27 -7.351 -3.333 1.218 1.00 0.00 S ATOM 0 H CYS A 27 -4.799 -2.975 4.037 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.379 -2.858 1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.652 -1.687 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.307 -1.191 1.149 1.00 0.00 H new ATOM 422 N SER A 28 -3.814 -0.318 1.303 1.00 0.00 N ATOM 423 CA SER A 28 -3.314 1.043 1.371 1.00 0.00 C ATOM 424 C SER A 28 -4.111 1.860 0.358 1.00 0.00 C ATOM 425 O SER A 28 -4.607 1.308 -0.623 1.00 0.00 O ATOM 426 CB SER A 28 -1.813 1.071 1.059 1.00 0.00 C ATOM 427 OG SER A 28 -1.318 2.395 1.080 1.00 0.00 O ATOM 0 H SER A 28 -4.012 -0.615 0.347 1.00 0.00 H new ATOM 0 HA SER A 28 -3.437 1.462 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.275 0.466 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.633 0.627 0.080 1.00 0.00 H new ATOM 0 HG SER A 28 -0.359 2.389 0.880 1.00 0.00 H new ATOM 433 N CYS A 29 -4.232 3.171 0.583 1.00 0.00 N ATOM 434 CA CYS A 29 -4.820 4.059 -0.405 1.00 0.00 C ATOM 435 C CYS A 29 -3.822 4.287 -1.537 1.00 0.00 C ATOM 436 O CYS A 29 -2.620 4.398 -1.293 1.00 0.00 O ATOM 437 CB CYS A 29 -5.259 5.379 0.228 1.00 0.00 C ATOM 438 SG CYS A 29 -6.851 5.251 1.075 1.00 0.00 S ATOM 0 H CYS A 29 -3.929 3.633 1.440 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.716 3.592 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.500 5.707 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.324 6.144 -0.545 1.00 0.00 H new ATOM 443 N LYS A 30 -4.331 4.360 -2.772 1.00 0.00 N ATOM 444 CA LYS A 30 -3.544 4.711 -3.944 1.00 0.00 C ATOM 445 C LYS A 30 -3.042 6.144 -3.780 1.00 0.00 C ATOM 446 O LYS A 30 -1.857 6.419 -3.964 1.00 0.00 O ATOM 447 CB LYS A 30 -4.410 4.528 -5.202 1.00 0.00 C ATOM 448 CG LYS A 30 -3.659 4.786 -6.518 1.00 0.00 C ATOM 449 CD LYS A 30 -3.706 6.255 -6.966 1.00 0.00 C ATOM 450 CE LYS A 30 -2.999 6.429 -8.313 1.00 0.00 C ATOM 451 NZ LYS A 30 -3.027 7.835 -8.751 1.00 0.00 N ATOM 0 H LYS A 30 -5.312 4.174 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.674 4.063 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.806 3.512 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.264 5.202 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.619 4.482 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.087 4.160 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.742 6.583 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.230 6.886 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.966 6.091 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.481 5.802 -9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.541 7.923 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.014 8.148 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.546 8.428 -8.045 1.00 0.00 H new ATOM 465 N ASN A 31 -3.958 7.048 -3.420 1.00 0.00 N ATOM 466 CA ASN A 31 -3.661 8.436 -3.128 1.00 0.00 C ATOM 467 C ASN A 31 -3.044 8.521 -1.733 1.00 0.00 C ATOM 468 O ASN A 31 -3.733 8.294 -0.740 1.00 0.00 O ATOM 469 CB ASN A 31 -4.952 9.254 -3.225 1.00 0.00 C ATOM 470 CG ASN A 31 -4.747 10.730 -2.896 1.00 0.00 C ATOM 471 OD1 ASN A 31 -3.622 11.219 -2.821 1.00 0.00 O ATOM 472 ND2 ASN A 31 -5.853 11.444 -2.698 1.00 0.00 N ATOM 0 H ASN A 31 -4.948 6.820 -3.324 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.948 8.843 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.358 9.165 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.693 8.835 -2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.786 12.437 -2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.768 10.998 -2.770 1.00 0.00 H new ATOM 479 N THR A 32 -1.750 8.850 -1.671 1.00 0.00 N ATOM 480 CA THR A 32 -1.003 8.988 -0.431 1.00 0.00 C ATOM 481 C THR A 32 -0.881 10.464 -0.053 1.00 0.00 C ATOM 482 O THR A 32 -1.039 11.350 -0.892 1.00 0.00 O ATOM 483 CB THR A 32 0.386 8.348 -0.578 1.00 0.00 C ATOM 484 OG1 THR A 32 1.126 9.003 -1.587 1.00 0.00 O ATOM 485 CG2 THR A 32 0.288 6.853 -0.900 1.00 0.00 C ATOM 0 H THR A 32 -1.187 9.030 -2.502 1.00 0.00 H new ATOM 0 HA THR A 32 -1.538 8.472 0.366 1.00 0.00 H new ATOM 0 HB THR A 32 0.898 8.458 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.009 8.586 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.290 6.435 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.242 6.342 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.254 6.717 -1.836 1.00 0.00 H new ATOM 493 N ASP A 33 -0.580 10.721 1.224 1.00 0.00 N ATOM 494 CA ASP A 33 -0.366 12.065 1.736 1.00 0.00 C ATOM 495 C ASP A 33 0.862 12.718 1.105 1.00 0.00 C ATOM 496 O ASP A 33 0.915 13.939 1.008 1.00 0.00 O ATOM 497 CB ASP A 33 -0.263 12.018 3.262 1.00 0.00 C ATOM 498 CG ASP A 33 -0.356 13.411 3.880 1.00 0.00 C ATOM 499 OD1 ASP A 33 -1.405 14.058 3.667 1.00 0.00 O ATOM 500 OD2 ASP A 33 0.618 13.801 4.557 1.00 0.00 O ATOM 0 H ASP A 33 -0.479 9.993 1.931 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.219 12.686 1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.059 11.390 3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.682 11.556 3.548 1.00 0.00 H new ATOM 505 N SER A 34 1.835 11.914 0.662 1.00 0.00 N ATOM 506 CA SER A 34 3.000 12.388 -0.071 1.00 0.00 C ATOM 507 C SER A 34 2.583 13.104 -1.361 1.00 0.00 C ATOM 508 O SER A 34 3.067 14.201 -1.634 1.00 0.00 O ATOM 509 CB SER A 34 3.930 11.209 -0.365 1.00 0.00 C ATOM 510 OG SER A 34 5.129 11.670 -0.952 1.00 0.00 O ATOM 0 H SER A 34 1.830 10.904 0.807 1.00 0.00 H new ATOM 0 HA SER A 34 3.536 13.114 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.151 10.672 0.557 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.436 10.504 -1.034 1.00 0.00 H new ATOM 0 HG SER A 34 5.718 10.908 -1.135 1.00 0.00 H new ATOM 516 N ARG A 35 1.677 12.496 -2.143 1.00 0.00 N ATOM 517 CA ARG A 35 1.139 13.119 -3.348 1.00 0.00 C ATOM 518 C ARG A 35 0.460 14.439 -2.994 1.00 0.00 C ATOM 519 O ARG A 35 0.725 15.457 -3.630 1.00 0.00 O ATOM 520 CB ARG A 35 0.131 12.206 -4.054 1.00 0.00 C ATOM 521 CG ARG A 35 0.781 10.954 -4.649 1.00 0.00 C ATOM 522 CD ARG A 35 -0.268 10.073 -5.336 1.00 0.00 C ATOM 523 NE ARG A 35 -0.842 10.724 -6.524 1.00 0.00 N ATOM 524 CZ ARG A 35 -2.014 11.380 -6.602 1.00 0.00 C ATOM 525 NH1 ARG A 35 -2.809 11.537 -5.535 1.00 0.00 N ATOM 526 NH2 ARG A 35 -2.397 11.895 -7.778 1.00 0.00 N ATOM 0 H ARG A 35 1.303 11.566 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 35 1.973 13.298 -4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.641 11.907 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.365 12.765 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.548 11.243 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.279 10.388 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.188 9.126 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.065 9.840 -4.630 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.292 10.672 -7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.531 11.154 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.692 12.040 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.802 11.787 -8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.283 12.395 -7.852 1.00 0.00 H new ATOM 540 N CYS A 36 -0.412 14.418 -1.979 1.00 0.00 N ATOM 541 CA CYS A 36 -1.118 15.609 -1.536 1.00 0.00 C ATOM 542 C CYS A 36 -0.129 16.717 -1.166 1.00 0.00 C ATOM 543 O CYS A 36 -0.301 17.848 -1.602 1.00 0.00 O ATOM 544 CB CYS A 36 -2.075 15.292 -0.381 1.00 0.00 C ATOM 545 SG CYS A 36 -3.329 14.019 -0.691 1.00 0.00 S ATOM 0 H CYS A 36 -0.642 13.577 -1.450 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.727 15.971 -2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.481 14.982 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.586 16.213 -0.100 1.00 0.00 H new ATOM 550 N LYS A 37 0.918 16.406 -0.393 1.00 0.00 N ATOM 551 CA LYS A 37 1.932 17.355 0.022 1.00 0.00 C ATOM 552 C LYS A 37 2.678 17.939 -1.179 1.00 0.00 C ATOM 553 O LYS A 37 2.925 19.143 -1.208 1.00 0.00 O ATOM 554 CB LYS A 37 2.877 16.639 0.989 1.00 0.00 C ATOM 555 CG LYS A 37 2.243 16.545 2.382 1.00 0.00 C ATOM 556 CD LYS A 37 2.983 15.569 3.303 1.00 0.00 C ATOM 557 CE LYS A 37 4.462 15.922 3.477 1.00 0.00 C ATOM 558 NZ LYS A 37 5.096 15.046 4.476 1.00 0.00 N ATOM 0 H LYS A 37 1.078 15.464 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 37 1.467 18.203 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.101 15.640 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.823 17.177 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.233 17.534 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.204 16.229 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.499 15.561 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.900 14.561 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.978 15.825 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.558 16.963 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.098 15.304 4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.615 15.159 5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.023 14.056 4.166 1.00 0.00 H new ATOM 572 N ALA A 38 3.012 17.109 -2.176 1.00 0.00 N ATOM 573 CA ALA A 38 3.603 17.570 -3.430 1.00 0.00 C ATOM 574 C ALA A 38 2.675 18.538 -4.179 1.00 0.00 C ATOM 575 O ALA A 38 3.151 19.371 -4.949 1.00 0.00 O ATOM 576 CB ALA A 38 3.968 16.369 -4.307 1.00 0.00 C ATOM 0 H ALA A 38 2.878 16.099 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 38 4.511 18.124 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.408 16.720 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.686 15.740 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.070 15.791 -4.524 1.00 0.00 H new ATOM 582 N ARG A 39 1.361 18.440 -3.938 1.00 0.00 N ATOM 583 CA ARG A 39 0.335 19.302 -4.512 1.00 0.00 C ATOM 584 C ARG A 39 -0.083 20.404 -3.522 1.00 0.00 C ATOM 585 O ARG A 39 -1.022 21.142 -3.809 1.00 0.00 O ATOM 586 CB ARG A 39 -0.873 18.431 -4.895 1.00 0.00 C ATOM 587 CG ARG A 39 -0.552 17.444 -6.028 1.00 0.00 C ATOM 588 CD ARG A 39 -1.550 16.281 -6.051 1.00 0.00 C ATOM 589 NE ARG A 39 -2.939 16.751 -6.104 1.00 0.00 N ATOM 590 CZ ARG A 39 -4.016 15.961 -5.965 1.00 0.00 C ATOM 591 NH1 ARG A 39 -3.880 14.635 -5.820 1.00 0.00 N ATOM 592 NH2 ARG A 39 -5.240 16.504 -5.968 1.00 0.00 N ATOM 0 H ARG A 39 0.976 17.731 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 39 0.732 19.798 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.209 17.876 -4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.698 19.074 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.575 17.965 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.459 17.057 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.348 15.647 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.409 15.665 -5.163 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.098 17.747 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.950 14.215 -5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.706 14.046 -5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.350 17.512 -6.075 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.062 15.909 -5.863 1.00 0.00 H new ATOM 606 N GLN A 40 0.610 20.532 -2.377 1.00 0.00 N ATOM 607 CA GLN A 40 0.360 21.520 -1.330 1.00 0.00 C ATOM 608 C GLN A 40 -1.051 21.351 -0.749 1.00 0.00 C ATOM 609 O GLN A 40 -1.817 22.306 -0.634 1.00 0.00 O ATOM 610 CB GLN A 40 0.662 22.949 -1.825 1.00 0.00 C ATOM 611 CG GLN A 40 2.161 23.218 -2.044 1.00 0.00 C ATOM 612 CD GLN A 40 2.822 22.313 -3.085 1.00 0.00 C ATOM 613 OE1 GLN A 40 3.761 21.587 -2.769 1.00 0.00 O ATOM 614 NE2 GLN A 40 2.339 22.347 -4.328 1.00 0.00 N ATOM 0 H GLN A 40 1.394 19.919 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 40 1.051 21.344 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.130 23.121 -2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.274 23.666 -1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.290 24.256 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.681 23.098 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.558 22.962 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.751 21.758 -5.051 1.00 0.00 H new ATOM 623 N LEU A 41 -1.371 20.105 -0.388 1.00 0.00 N ATOM 624 CA LEU A 41 -2.633 19.634 0.163 1.00 0.00 C ATOM 625 C LEU A 41 -2.321 18.603 1.260 1.00 0.00 C ATOM 626 O LEU A 41 -1.159 18.257 1.475 1.00 0.00 O ATOM 627 CB LEU A 41 -3.459 18.995 -0.971 1.00 0.00 C ATOM 628 CG LEU A 41 -3.917 19.963 -2.077 1.00 0.00 C ATOM 629 CD1 LEU A 41 -4.517 19.172 -3.246 1.00 0.00 C ATOM 630 CD2 LEU A 41 -4.962 20.971 -1.588 1.00 0.00 C ATOM 0 H LEU A 41 -0.698 19.345 -0.483 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.208 20.453 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.866 18.202 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.340 18.524 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.033 20.518 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.839 19.863 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.765 18.494 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.373 18.597 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.247 21.627 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.841 20.437 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.542 21.567 -0.778 1.00 0.00 H new ATOM 642 N GLU A 42 -3.357 18.095 1.940 1.00 0.00 N ATOM 643 CA GLU A 42 -3.271 16.968 2.867 1.00 0.00 C ATOM 644 C GLU A 42 -4.345 15.944 2.502 1.00 0.00 C ATOM 645 O GLU A 42 -5.354 16.298 1.900 1.00 0.00 O ATOM 646 CB GLU A 42 -3.448 17.447 4.316 1.00 0.00 C ATOM 647 CG GLU A 42 -2.151 18.017 4.909 1.00 0.00 C ATOM 648 CD GLU A 42 -1.107 16.932 5.158 1.00 0.00 C ATOM 649 OE1 GLU A 42 -1.390 16.050 5.997 1.00 0.00 O ATOM 650 OE2 GLU A 42 -0.044 17.002 4.504 1.00 0.00 O ATOM 0 H GLU A 42 -4.302 18.469 1.856 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.287 16.505 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.226 18.210 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.790 16.615 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.741 18.765 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.375 18.526 5.847 1.00 0.00 H new ATOM 657 N LEU A 43 -4.124 14.674 2.858 1.00 0.00 N ATOM 658 CA LEU A 43 -5.016 13.570 2.525 1.00 0.00 C ATOM 659 C LEU A 43 -6.172 13.483 3.522 1.00 0.00 C ATOM 660 O LEU A 43 -5.959 13.596 4.728 1.00 0.00 O ATOM 661 CB LEU A 43 -4.207 12.264 2.543 1.00 0.00 C ATOM 662 CG LEU A 43 -4.964 11.024 2.035 1.00 0.00 C ATOM 663 CD1 LEU A 43 -5.156 11.078 0.516 1.00 0.00 C ATOM 664 CD2 LEU A 43 -4.168 9.763 2.389 1.00 0.00 C ATOM 0 H LEU A 43 -3.306 14.385 3.394 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.440 13.736 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.313 12.400 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.873 12.075 3.563 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.944 11.004 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.694 10.189 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.729 11.967 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.182 11.116 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.702 8.883 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.186 9.809 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.049 9.699 3.471 1.00 0.00 H new ATOM 676 N ASN A 44 -7.388 13.248 3.013 1.00 0.00 N ATOM 677 CA ASN A 44 -8.541 12.903 3.830 1.00 0.00 C ATOM 678 C ASN A 44 -8.546 11.381 3.946 1.00 0.00 C ATOM 679 O ASN A 44 -8.784 10.692 2.959 1.00 0.00 O ATOM 680 CB ASN A 44 -9.836 13.422 3.190 1.00 0.00 C ATOM 681 CG ASN A 44 -11.078 13.106 4.029 1.00 0.00 C ATOM 682 OD1 ASN A 44 -11.019 12.365 5.008 1.00 0.00 O ATOM 683 ND2 ASN A 44 -12.222 13.675 3.646 1.00 0.00 N ATOM 0 H ASN A 44 -7.593 13.294 2.015 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.482 13.364 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.761 14.501 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.949 12.980 2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.079 13.500 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.239 14.285 2.829 1.00 0.00 H new ATOM 690 N GLU A 45 -8.278 10.864 5.149 1.00 0.00 N ATOM 691 CA GLU A 45 -8.095 9.443 5.421 1.00 0.00 C ATOM 692 C GLU A 45 -9.297 8.584 5.012 1.00 0.00 C ATOM 693 O GLU A 45 -9.131 7.393 4.757 1.00 0.00 O ATOM 694 CB GLU A 45 -7.809 9.245 6.915 1.00 0.00 C ATOM 695 CG GLU A 45 -6.510 9.929 7.356 1.00 0.00 C ATOM 696 CD GLU A 45 -6.279 9.737 8.851 1.00 0.00 C ATOM 697 OE1 GLU A 45 -6.908 10.492 9.624 1.00 0.00 O ATOM 698 OE2 GLU A 45 -5.481 8.838 9.196 1.00 0.00 O ATOM 0 H GLU A 45 -8.180 11.444 5.983 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.252 9.111 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.641 9.641 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.747 8.179 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.669 9.518 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.557 10.993 7.124 1.00 0.00 H new ATOM 705 N ARG A 46 -10.499 9.169 4.959 1.00 0.00 N ATOM 706 CA ARG A 46 -11.737 8.426 4.781 1.00 0.00 C ATOM 707 C ARG A 46 -11.931 8.049 3.314 1.00 0.00 C ATOM 708 O ARG A 46 -12.061 6.870 2.989 1.00 0.00 O ATOM 709 CB ARG A 46 -12.920 9.278 5.265 1.00 0.00 C ATOM 710 CG ARG A 46 -12.763 9.823 6.694 1.00 0.00 C ATOM 711 CD ARG A 46 -12.576 8.716 7.734 1.00 0.00 C ATOM 712 NE ARG A 46 -12.502 9.281 9.086 1.00 0.00 N ATOM 713 CZ ARG A 46 -12.361 8.558 10.209 1.00 0.00 C ATOM 714 NH1 ARG A 46 -12.281 7.220 10.158 1.00 0.00 N ATOM 715 NH2 ARG A 46 -12.300 9.179 11.394 1.00 0.00 N ATOM 0 H ARG A 46 -10.633 10.177 5.040 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.685 7.509 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.053 10.116 4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.829 8.679 5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.907 10.496 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.643 10.412 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.405 8.010 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.665 8.157 7.518 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.562 10.295 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.327 6.740 9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.174 6.682 11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.361 10.196 11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.193 8.635 12.250 1.00 0.00 H new ATOM 729 N THR A 47 -11.959 9.058 2.438 1.00 0.00 N ATOM 730 CA THR A 47 -12.208 8.891 1.009 1.00 0.00 C ATOM 731 C THR A 47 -10.900 8.755 0.221 1.00 0.00 C ATOM 732 O THR A 47 -10.911 8.245 -0.898 1.00 0.00 O ATOM 733 CB THR A 47 -13.091 10.046 0.501 1.00 0.00 C ATOM 734 OG1 THR A 47 -13.340 9.905 -0.882 1.00 0.00 O ATOM 735 CG2 THR A 47 -12.484 11.429 0.760 1.00 0.00 C ATOM 0 H THR A 47 -11.806 10.029 2.710 1.00 0.00 H new ATOM 0 HA THR A 47 -12.749 7.959 0.847 1.00 0.00 H new ATOM 0 HB THR A 47 -14.022 9.984 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.903 10.645 -1.190 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.155 12.198 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.343 11.570 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.521 11.504 0.255 1.00 0.00 H new ATOM 743 N CYS A 48 -9.781 9.211 0.799 1.00 0.00 N ATOM 744 CA CYS A 48 -8.478 9.284 0.160 1.00 0.00 C ATOM 745 C CYS A 48 -8.526 10.174 -1.077 1.00 0.00 C ATOM 746 O CYS A 48 -8.182 9.767 -2.185 1.00 0.00 O ATOM 747 CB CYS A 48 -7.862 7.896 -0.034 1.00 0.00 C ATOM 748 SG CYS A 48 -7.330 7.179 1.543 1.00 0.00 S ATOM 0 H CYS A 48 -9.767 9.550 1.761 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.775 9.783 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.590 7.237 -0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -7.009 7.966 -0.709 1.00 0.00 H new ATOM 753 N ARG A 49 -8.947 11.419 -0.832 1.00 0.00 N ATOM 754 CA ARG A 49 -8.891 12.549 -1.744 1.00 0.00 C ATOM 755 C ARG A 49 -8.044 13.616 -1.054 1.00 0.00 C ATOM 756 O ARG A 49 -8.012 13.674 0.176 1.00 0.00 O ATOM 757 CB ARG A 49 -10.301 13.086 -2.027 1.00 0.00 C ATOM 758 CG ARG A 49 -11.210 12.076 -2.742 1.00 0.00 C ATOM 759 CD ARG A 49 -10.671 11.609 -4.101 1.00 0.00 C ATOM 760 NE ARG A 49 -10.280 12.729 -4.967 1.00 0.00 N ATOM 761 CZ ARG A 49 -11.124 13.505 -5.669 1.00 0.00 C ATOM 762 NH1 ARG A 49 -12.448 13.302 -5.626 1.00 0.00 N ATOM 763 NH2 ARG A 49 -10.633 14.496 -6.424 1.00 0.00 N ATOM 0 H ARG A 49 -9.360 11.672 0.066 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.460 12.259 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.766 13.378 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.223 13.987 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.348 11.207 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.193 12.525 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.810 10.959 -3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.432 11.013 -4.605 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.284 12.935 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.830 12.549 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.074 13.901 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.627 14.657 -6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.265 15.090 -6.960 1.00 0.00 H new ATOM 777 N CYS A 50 -7.362 14.463 -1.833 1.00 0.00 N ATOM 778 CA CYS A 50 -6.514 15.503 -1.274 1.00 0.00 C ATOM 779 C CYS A 50 -7.360 16.756 -1.051 1.00 0.00 C ATOM 780 O CYS A 50 -7.919 17.308 -1.997 1.00 0.00 O ATOM 781 CB CYS A 50 -5.335 15.815 -2.196 1.00 0.00 C ATOM 782 SG CYS A 50 -4.143 14.488 -2.517 1.00 0.00 S ATOM 0 H CYS A 50 -7.386 14.443 -2.853 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.102 15.156 -0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.737 16.144 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.791 16.659 -1.771 1.00 0.00 H new ATOM 787 N ASP A 51 -7.442 17.183 0.212 1.00 0.00 N ATOM 788 CA ASP A 51 -8.164 18.359 0.680 1.00 0.00 C ATOM 789 C ASP A 51 -7.165 19.418 1.152 1.00 0.00 C ATOM 790 O ASP A 51 -5.958 19.212 1.060 1.00 0.00 O ATOM 791 CB ASP A 51 -9.138 17.954 1.798 1.00 0.00 C ATOM 792 CG ASP A 51 -8.425 17.572 3.096 1.00 0.00 C ATOM 793 OD1 ASP A 51 -7.917 16.432 3.154 1.00 0.00 O ATOM 794 OD2 ASP A 51 -8.409 18.425 4.010 1.00 0.00 O ATOM 0 H ASP A 51 -6.979 16.687 0.974 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.749 18.790 -0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.822 18.780 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.743 17.112 1.460 1.00 0.00 H new ATOM 799 N LYS A 52 -7.668 20.549 1.661 1.00 0.00 N ATOM 800 CA LYS A 52 -6.861 21.675 2.118 1.00 0.00 C ATOM 801 C LYS A 52 -5.694 21.235 3.020 1.00 0.00 C ATOM 802 O LYS A 52 -5.821 20.246 3.741 1.00 0.00 O ATOM 803 CB LYS A 52 -7.757 22.698 2.832 1.00 0.00 C ATOM 804 CG LYS A 52 -8.533 22.105 4.021 1.00 0.00 C ATOM 805 CD LYS A 52 -9.000 23.198 4.993 1.00 0.00 C ATOM 806 CE LYS A 52 -8.021 23.413 6.157 1.00 0.00 C ATOM 807 NZ LYS A 52 -6.661 23.753 5.706 1.00 0.00 N ATOM 0 H LYS A 52 -8.670 20.705 1.767 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.411 22.141 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.141 23.525 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.466 23.112 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.397 21.552 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.900 21.393 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.122 24.134 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.979 22.930 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.396 24.211 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.982 22.508 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.066 23.969 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.255 22.947 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.700 24.583 5.080 1.00 0.00 H new ATOM 821 N PRO A 53 -4.553 21.944 2.994 1.00 0.00 N ATOM 822 CA PRO A 53 -3.386 21.594 3.784 1.00 0.00 C ATOM 823 C PRO A 53 -3.668 21.849 5.268 1.00 0.00 C ATOM 824 O PRO A 53 -3.657 22.991 5.723 1.00 0.00 O ATOM 825 CB PRO A 53 -2.244 22.456 3.237 1.00 0.00 C ATOM 826 CG PRO A 53 -2.961 23.686 2.682 1.00 0.00 C ATOM 827 CD PRO A 53 -4.284 23.114 2.173 1.00 0.00 C ATOM 0 HA PRO A 53 -3.123 20.539 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.533 22.724 4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.683 21.934 2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.118 24.443 3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.391 24.158 1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.086 23.846 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.214 22.844 1.119 1.00 0.00 H new ATOM 835 N ARG A 54 -3.932 20.767 6.010 1.00 0.00 N ATOM 836 CA ARG A 54 -4.256 20.784 7.428 1.00 0.00 C ATOM 837 C ARG A 54 -3.011 21.172 8.223 1.00 0.00 C ATOM 838 O ARG A 54 -2.856 22.330 8.609 1.00 0.00 O ATOM 839 CB ARG A 54 -4.766 19.398 7.850 1.00 0.00 C ATOM 840 CG ARG A 54 -6.034 19.000 7.081 1.00 0.00 C ATOM 841 CD ARG A 54 -6.421 17.547 7.362 1.00 0.00 C ATOM 842 NE ARG A 54 -7.591 17.161 6.565 1.00 0.00 N ATOM 843 CZ ARG A 54 -8.171 15.950 6.583 1.00 0.00 C ATOM 844 NH1 ARG A 54 -7.641 14.946 7.295 1.00 0.00 N ATOM 845 NH2 ARG A 54 -9.294 15.746 5.881 1.00 0.00 N ATOM 0 H ARG A 54 -3.924 19.825 5.619 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.039 21.516 7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.987 18.655 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.974 19.397 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.855 19.659 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.871 19.135 6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.583 16.890 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.639 17.422 8.423 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.995 17.867 5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.787 15.097 7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.092 14.031 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.702 16.507 5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.741 14.829 5.889 1.00 0.00 H new ATOM 859 N ARG A 55 -2.128 20.195 8.453 1.00 0.00 N ATOM 860 CA ARG A 55 -0.829 20.379 9.079 1.00 0.00 C ATOM 861 C ARG A 55 0.055 19.170 8.767 1.00 0.00 C ATOM 862 O ARG A 55 -0.504 18.051 8.708 1.00 0.00 O ATOM 863 CB ARG A 55 -0.954 20.641 10.592 1.00 0.00 C ATOM 864 CG ARG A 55 -1.224 19.417 11.481 1.00 0.00 C ATOM 865 CD ARG A 55 -2.584 18.754 11.232 1.00 0.00 C ATOM 866 NE ARG A 55 -2.769 17.586 12.100 1.00 0.00 N ATOM 867 CZ ARG A 55 -2.202 16.381 11.924 1.00 0.00 C ATOM 868 NH1 ARG A 55 -1.382 16.144 10.889 1.00 0.00 N ATOM 869 NH2 ARG A 55 -2.464 15.405 12.803 1.00 0.00 N ATOM 870 OXT ARG A 55 1.274 19.385 8.591 1.00 0.00 O ATOM 0 H ARG A 55 -2.311 19.225 8.197 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.356 21.269 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.033 21.114 10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.758 21.360 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.437 18.681 11.317 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.165 19.720 12.526 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.382 19.475 11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.658 18.450 10.188 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.382 17.699 12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.179 16.886 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.961 15.222 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.086 15.582 13.592 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.042 14.484 12.684 1.00 0.00 H new TER 883 ARG A 55