USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 365 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 22 CYS SG : rot 118:sc= 0.746 USER MOD Set 1.2: A 26 CYS SG : rot -56:sc= 0.156 USER MOD Set 1.3: A 49 CYS SG : rot 180:sc= 0.836 USER MOD Set 1.4: A 52 CYS SG : rot 122:sc= 0.31 USER MOD Set 2.1: A 4 CYS SG : rot 73:sc= 0.268 USER MOD Set 2.2: A 9 CYS SG : rot 57:sc= 0.254 USER MOD Set 2.3: A 31 HIS : no HE2:sc= -2.4! K(o=-1.6!,f=-4.3) USER MOD Set 2.4: A 34 CYS SG : rot -2:sc= 0.273 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.00545 K(o=0.0054,f=-0.86) USER MOD Single : A 25 SER OG : rot -169:sc= 0.0257 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 32 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= -0.699 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00632) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.142 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.052) USER MOD ----------------------------------------------------------------- ATOM 48 N CYS A 4 6.355 -0.436 -6.142 1.00 0.00 N ATOM 49 CA CYS A 4 7.491 -1.263 -6.585 1.00 0.00 C ATOM 50 C CYS A 4 8.773 -0.389 -6.492 1.00 0.00 C ATOM 51 O CYS A 4 8.683 0.829 -6.699 1.00 0.00 O ATOM 52 CB CYS A 4 7.277 -1.785 -8.045 1.00 0.00 C ATOM 53 SG CYS A 4 5.559 -1.739 -8.651 1.00 0.00 S ATOM 0 HA CYS A 4 7.583 -2.143 -5.948 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.897 -1.193 -8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.636 -2.813 -8.101 1.00 0.00 H new ATOM 0 HG CYS A 4 5.219 -0.509 -8.898 1.00 0.00 H new ATOM 58 N PRO A 5 9.975 -0.979 -6.187 1.00 0.00 N ATOM 59 CA PRO A 5 11.255 -0.225 -6.095 1.00 0.00 C ATOM 60 C PRO A 5 11.871 0.062 -7.490 1.00 0.00 C ATOM 61 O PRO A 5 12.966 -0.408 -7.826 1.00 0.00 O ATOM 62 CB PRO A 5 12.133 -1.174 -5.239 1.00 0.00 C ATOM 63 CG PRO A 5 11.671 -2.545 -5.627 1.00 0.00 C ATOM 64 CD PRO A 5 10.179 -2.419 -5.876 1.00 0.00 C ATOM 0 HA PRO A 5 11.145 0.768 -5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.193 -1.036 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.994 -0.993 -4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.189 -2.895 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.877 -3.266 -4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.859 -3.053 -6.703 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.603 -2.722 -5.001 1.00 0.00 H new ATOM 72 N ALA A 6 11.125 0.835 -8.297 1.00 0.00 N ATOM 73 CA ALA A 6 11.553 1.279 -9.636 1.00 0.00 C ATOM 74 C ALA A 6 11.894 2.784 -9.615 1.00 0.00 C ATOM 75 O ALA A 6 11.743 3.442 -8.578 1.00 0.00 O ATOM 76 CB ALA A 6 10.438 0.981 -10.652 1.00 0.00 C ATOM 0 H ALA A 6 10.199 1.173 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 6 12.451 0.736 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.752 1.308 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.239 -0.091 -10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.532 1.514 -10.364 1.00 0.00 H new ATOM 82 N VAL A 7 12.347 3.321 -10.767 1.00 0.00 N ATOM 83 CA VAL A 7 12.662 4.762 -10.909 1.00 0.00 C ATOM 84 C VAL A 7 11.363 5.589 -10.796 1.00 0.00 C ATOM 85 O VAL A 7 11.315 6.614 -10.110 1.00 0.00 O ATOM 86 CB VAL A 7 13.381 5.070 -12.279 1.00 0.00 C ATOM 87 CG1 VAL A 7 13.835 6.557 -12.365 1.00 0.00 C ATOM 88 CG2 VAL A 7 14.568 4.100 -12.520 1.00 0.00 C ATOM 0 H VAL A 7 12.504 2.778 -11.616 1.00 0.00 H new ATOM 0 HA VAL A 7 13.347 5.039 -10.108 1.00 0.00 H new ATOM 0 HB VAL A 7 12.654 4.907 -13.075 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.326 6.733 -13.322 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.965 7.209 -12.279 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.532 6.772 -11.555 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.044 4.337 -13.472 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.295 4.207 -11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.201 3.074 -12.543 1.00 0.00 H new ATOM 98 N SER A 8 10.305 5.087 -11.452 1.00 0.00 N ATOM 99 CA SER A 8 8.956 5.667 -11.397 1.00 0.00 C ATOM 100 C SER A 8 7.934 4.546 -11.159 1.00 0.00 C ATOM 101 O SER A 8 8.242 3.358 -11.344 1.00 0.00 O ATOM 102 CB SER A 8 8.645 6.412 -12.723 1.00 0.00 C ATOM 103 OG SER A 8 7.387 7.060 -12.669 1.00 0.00 O ATOM 0 H SER A 8 10.364 4.257 -12.042 1.00 0.00 H new ATOM 0 HA SER A 8 8.898 6.384 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.426 7.146 -12.921 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.656 5.704 -13.551 1.00 0.00 H new ATOM 0 HG SER A 8 7.220 7.522 -13.517 1.00 0.00 H new ATOM 109 N CYS A 9 6.722 4.922 -10.735 1.00 0.00 N ATOM 110 CA CYS A 9 5.591 3.996 -10.657 1.00 0.00 C ATOM 111 C CYS A 9 4.276 4.764 -10.788 1.00 0.00 C ATOM 112 O CYS A 9 3.756 5.315 -9.812 1.00 0.00 O ATOM 113 CB CYS A 9 5.602 3.145 -9.373 1.00 0.00 C ATOM 114 SG CYS A 9 4.369 1.815 -9.443 1.00 0.00 S ATOM 0 H CYS A 9 6.500 5.872 -10.438 1.00 0.00 H new ATOM 0 HA CYS A 9 5.687 3.298 -11.489 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.593 2.716 -9.229 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.402 3.782 -8.512 1.00 0.00 H new ATOM 0 HG CYS A 9 4.582 1.080 -10.494 1.00 0.00 H new ATOM 119 N LEU A 10 3.780 4.821 -12.029 1.00 0.00 N ATOM 120 CA LEU A 10 2.468 5.395 -12.377 1.00 0.00 C ATOM 121 C LEU A 10 1.321 4.620 -11.685 1.00 0.00 C ATOM 122 O LEU A 10 0.328 5.217 -11.258 1.00 0.00 O ATOM 123 CB LEU A 10 2.309 5.346 -13.920 1.00 0.00 C ATOM 124 CG LEU A 10 3.380 6.167 -14.714 1.00 0.00 C ATOM 125 CD1 LEU A 10 3.463 5.725 -16.185 1.00 0.00 C ATOM 126 CD2 LEU A 10 3.114 7.691 -14.591 1.00 0.00 C ATOM 0 H LEU A 10 4.287 4.463 -12.839 1.00 0.00 H new ATOM 0 HA LEU A 10 2.416 6.427 -12.029 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.355 4.306 -14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.318 5.718 -14.182 1.00 0.00 H new ATOM 0 HG LEU A 10 4.352 5.961 -14.265 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.217 6.319 -16.701 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.735 4.671 -16.233 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.495 5.872 -16.664 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.872 8.239 -15.151 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.128 7.922 -14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.156 7.984 -13.542 1.00 0.00 H new ATOM 138 N GLN A 11 1.531 3.287 -11.562 1.00 0.00 N ATOM 139 CA GLN A 11 0.521 2.316 -11.102 1.00 0.00 C ATOM 140 C GLN A 11 -0.781 2.467 -11.934 1.00 0.00 C ATOM 141 O GLN A 11 -1.818 2.915 -11.421 1.00 0.00 O ATOM 142 CB GLN A 11 0.273 2.434 -9.571 1.00 0.00 C ATOM 143 CG GLN A 11 -0.593 1.300 -8.973 1.00 0.00 C ATOM 144 CD GLN A 11 -1.006 1.509 -7.512 1.00 0.00 C ATOM 145 OE1 GLN A 11 -1.138 0.550 -6.760 1.00 0.00 O ATOM 146 NE2 GLN A 11 -1.264 2.748 -7.110 1.00 0.00 N ATOM 0 H GLN A 11 2.427 2.853 -11.785 1.00 0.00 H new ATOM 0 HA GLN A 11 0.901 1.308 -11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.236 2.447 -9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.210 3.389 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.493 1.192 -9.578 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.042 0.362 -9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.146 3.529 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.580 2.919 -6.155 1.00 0.00 H new ATOM 155 N PRO A 12 -0.721 2.154 -13.268 1.00 0.00 N ATOM 156 CA PRO A 12 -1.867 2.346 -14.174 1.00 0.00 C ATOM 157 C PRO A 12 -2.854 1.166 -14.129 1.00 0.00 C ATOM 158 O PRO A 12 -2.568 0.112 -13.531 1.00 0.00 O ATOM 159 CB PRO A 12 -1.176 2.458 -15.548 1.00 0.00 C ATOM 160 CG PRO A 12 -0.002 1.529 -15.443 1.00 0.00 C ATOM 161 CD PRO A 12 0.455 1.585 -13.995 1.00 0.00 C ATOM 0 HA PRO A 12 -2.479 3.210 -13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.846 2.164 -16.356 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.858 3.480 -15.753 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.283 0.514 -15.724 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.799 1.836 -16.116 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.716 0.595 -13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.338 2.213 -13.879 1.00 0.00 H new ATOM 169 N GLU A 13 -4.016 1.370 -14.761 1.00 0.00 N ATOM 170 CA GLU A 13 -5.022 0.321 -14.961 1.00 0.00 C ATOM 171 C GLU A 13 -4.452 -0.734 -15.922 1.00 0.00 C ATOM 172 O GLU A 13 -4.088 -0.401 -17.057 1.00 0.00 O ATOM 173 CB GLU A 13 -6.319 0.944 -15.533 1.00 0.00 C ATOM 174 CG GLU A 13 -6.973 1.995 -14.613 1.00 0.00 C ATOM 175 CD GLU A 13 -8.154 2.721 -15.278 1.00 0.00 C ATOM 176 OE1 GLU A 13 -9.275 2.175 -15.279 1.00 0.00 O ATOM 177 OE2 GLU A 13 -7.961 3.841 -15.808 1.00 0.00 O ATOM 0 H GLU A 13 -4.286 2.273 -15.150 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.264 -0.156 -14.011 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.093 1.408 -16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.038 0.147 -15.725 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.319 1.507 -13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.223 2.728 -14.317 1.00 0.00 H new ATOM 184 N GLY A 14 -4.354 -1.983 -15.452 1.00 0.00 N ATOM 185 CA GLY A 14 -3.723 -3.069 -16.205 1.00 0.00 C ATOM 186 C GLY A 14 -4.630 -3.689 -17.262 1.00 0.00 C ATOM 187 O GLY A 14 -4.826 -4.908 -17.282 1.00 0.00 O ATOM 0 H GLY A 14 -4.710 -2.267 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.823 -2.689 -16.689 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.407 -3.846 -15.509 1.00 0.00 H new ATOM 191 N ASP A 15 -5.193 -2.834 -18.137 1.00 0.00 N ATOM 192 CA ASP A 15 -5.975 -3.264 -19.308 1.00 0.00 C ATOM 193 C ASP A 15 -5.043 -4.001 -20.280 1.00 0.00 C ATOM 194 O ASP A 15 -5.295 -5.154 -20.651 1.00 0.00 O ATOM 195 CB ASP A 15 -6.629 -2.028 -19.992 1.00 0.00 C ATOM 196 CG ASP A 15 -7.330 -2.351 -21.330 1.00 0.00 C ATOM 197 OD1 ASP A 15 -8.522 -2.738 -21.319 1.00 0.00 O ATOM 198 OD2 ASP A 15 -6.699 -2.208 -22.401 1.00 0.00 O ATOM 0 H ASP A 15 -5.117 -1.821 -18.049 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.774 -3.938 -19.000 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.356 -1.589 -19.309 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.862 -1.274 -20.168 1.00 0.00 H new ATOM 203 N GLU A 16 -3.956 -3.311 -20.663 1.00 0.00 N ATOM 204 CA GLU A 16 -2.900 -3.873 -21.497 1.00 0.00 C ATOM 205 C GLU A 16 -1.560 -3.206 -21.114 1.00 0.00 C ATOM 206 O GLU A 16 -0.912 -2.530 -21.925 1.00 0.00 O ATOM 207 CB GLU A 16 -3.240 -3.685 -23.006 1.00 0.00 C ATOM 208 CG GLU A 16 -2.357 -4.513 -23.957 1.00 0.00 C ATOM 209 CD GLU A 16 -2.596 -4.194 -25.437 1.00 0.00 C ATOM 210 OE1 GLU A 16 -3.671 -4.557 -25.969 1.00 0.00 O ATOM 211 OE2 GLU A 16 -1.730 -3.554 -26.068 1.00 0.00 O ATOM 0 H GLU A 16 -3.791 -2.340 -20.396 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.814 -4.946 -21.327 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.283 -3.955 -23.169 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.140 -2.630 -23.261 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.309 -4.333 -23.718 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.545 -5.573 -23.786 1.00 0.00 H new ATOM 218 N VAL A 17 -1.181 -3.358 -19.833 1.00 0.00 N ATOM 219 CA VAL A 17 0.130 -2.917 -19.331 1.00 0.00 C ATOM 220 C VAL A 17 1.022 -4.151 -19.162 1.00 0.00 C ATOM 221 O VAL A 17 0.710 -5.044 -18.369 1.00 0.00 O ATOM 222 CB VAL A 17 0.033 -2.132 -17.979 1.00 0.00 C ATOM 223 CG1 VAL A 17 1.418 -1.584 -17.548 1.00 0.00 C ATOM 224 CG2 VAL A 17 -1.008 -0.995 -18.082 1.00 0.00 C ATOM 0 H VAL A 17 -1.772 -3.788 -19.121 1.00 0.00 H new ATOM 0 HA VAL A 17 0.555 -2.224 -20.057 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.300 -2.827 -17.208 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.319 -1.044 -16.606 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.113 -2.413 -17.419 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.797 -0.909 -18.315 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.060 -0.462 -17.133 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.714 -0.303 -18.871 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.986 -1.417 -18.315 1.00 0.00 H new ATOM 234 N ASP A 18 2.122 -4.169 -19.911 1.00 0.00 N ATOM 235 CA ASP A 18 3.038 -5.324 -19.990 1.00 0.00 C ATOM 236 C ASP A 18 3.946 -5.349 -18.763 1.00 0.00 C ATOM 237 O ASP A 18 4.552 -4.330 -18.432 1.00 0.00 O ATOM 238 CB ASP A 18 3.912 -5.255 -21.265 1.00 0.00 C ATOM 239 CG ASP A 18 3.101 -5.187 -22.566 1.00 0.00 C ATOM 240 OD1 ASP A 18 2.562 -4.100 -22.879 1.00 0.00 O ATOM 241 OD2 ASP A 18 2.997 -6.209 -23.285 1.00 0.00 O ATOM 0 H ASP A 18 2.413 -3.380 -20.488 1.00 0.00 H new ATOM 0 HA ASP A 18 2.435 -6.231 -20.027 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.559 -4.380 -21.204 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.561 -6.130 -21.297 1.00 0.00 H new ATOM 246 N TRP A 19 4.012 -6.501 -18.086 1.00 0.00 N ATOM 247 CA TRP A 19 4.879 -6.714 -16.912 1.00 0.00 C ATOM 248 C TRP A 19 6.039 -7.659 -17.281 1.00 0.00 C ATOM 249 O TRP A 19 5.998 -8.333 -18.313 1.00 0.00 O ATOM 250 CB TRP A 19 4.056 -7.303 -15.735 1.00 0.00 C ATOM 251 CG TRP A 19 3.096 -6.358 -15.041 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.521 -5.211 -15.523 1.00 0.00 C ATOM 253 CD2 TRP A 19 2.584 -6.532 -13.721 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.703 -4.657 -14.569 1.00 0.00 N ATOM 255 CE2 TRP A 19 1.723 -5.456 -13.451 1.00 0.00 C ATOM 256 CE3 TRP A 19 2.782 -7.501 -12.743 1.00 0.00 C ATOM 257 CZ2 TRP A 19 1.061 -5.323 -12.234 1.00 0.00 C ATOM 258 CZ3 TRP A 19 2.129 -7.376 -11.538 1.00 0.00 C ATOM 259 CH2 TRP A 19 1.277 -6.292 -11.286 1.00 0.00 C ATOM 0 H TRP A 19 3.461 -7.322 -18.337 1.00 0.00 H new ATOM 0 HA TRP A 19 5.292 -5.755 -16.599 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.486 -8.154 -16.109 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.753 -7.688 -14.991 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.687 -4.803 -16.509 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.169 -3.794 -14.673 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.438 -8.339 -12.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.402 -4.489 -12.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.275 -8.125 -10.774 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.782 -6.218 -10.329 1.00 0.00 H new ATOM 270 N VAL A 20 7.060 -7.701 -16.416 1.00 0.00 N ATOM 271 CA VAL A 20 8.256 -8.541 -16.604 1.00 0.00 C ATOM 272 C VAL A 20 8.868 -8.894 -15.238 1.00 0.00 C ATOM 273 O VAL A 20 9.169 -7.999 -14.437 1.00 0.00 O ATOM 274 CB VAL A 20 9.325 -7.848 -17.557 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.708 -6.412 -17.097 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.586 -8.734 -17.731 1.00 0.00 C ATOM 0 H VAL A 20 7.082 -7.150 -15.558 1.00 0.00 H new ATOM 0 HA VAL A 20 7.949 -9.463 -17.099 1.00 0.00 H new ATOM 0 HB VAL A 20 8.844 -7.744 -18.529 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.440 -5.992 -17.787 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.817 -5.784 -17.086 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.135 -6.453 -16.095 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.296 -8.231 -18.388 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.048 -8.904 -16.759 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.301 -9.690 -18.169 1.00 0.00 H new ATOM 286 N GLN A 21 9.025 -10.201 -14.967 1.00 0.00 N ATOM 287 CA GLN A 21 9.644 -10.686 -13.726 1.00 0.00 C ATOM 288 C GLN A 21 11.149 -10.427 -13.757 1.00 0.00 C ATOM 289 O GLN A 21 11.815 -10.761 -14.744 1.00 0.00 O ATOM 290 CB GLN A 21 9.369 -12.194 -13.505 1.00 0.00 C ATOM 291 CG GLN A 21 9.812 -12.730 -12.122 1.00 0.00 C ATOM 292 CD GLN A 21 9.374 -14.171 -11.838 1.00 0.00 C ATOM 293 OE1 GLN A 21 8.358 -14.644 -12.349 1.00 0.00 O ATOM 294 NE2 GLN A 21 10.110 -14.859 -10.983 1.00 0.00 N ATOM 0 H GLN A 21 8.728 -10.945 -15.599 1.00 0.00 H new ATOM 0 HA GLN A 21 9.199 -10.140 -12.894 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.302 -12.378 -13.627 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.881 -12.762 -14.282 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.898 -12.672 -12.053 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.408 -12.080 -11.346 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.946 -14.439 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.842 -15.810 -10.729 1.00 0.00 H new ATOM 303 N CYS A 22 11.658 -9.825 -12.676 1.00 0.00 N ATOM 304 CA CYS A 22 13.087 -9.530 -12.523 1.00 0.00 C ATOM 305 C CYS A 22 13.919 -10.812 -12.428 1.00 0.00 C ATOM 306 O CYS A 22 14.928 -10.944 -13.116 1.00 0.00 O ATOM 307 CB CYS A 22 13.324 -8.688 -11.270 1.00 0.00 C ATOM 308 SG CYS A 22 15.074 -8.383 -10.879 1.00 0.00 S ATOM 0 H CYS A 22 11.090 -9.528 -11.882 1.00 0.00 H new ATOM 0 HA CYS A 22 13.400 -8.976 -13.408 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.821 -7.729 -11.393 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.857 -9.186 -10.420 1.00 0.00 H new ATOM 0 HG CYS A 22 15.314 -7.106 -10.931 1.00 0.00 H new ATOM 313 N ASP A 23 13.468 -11.727 -11.539 1.00 0.00 N ATOM 314 CA ASP A 23 14.178 -12.982 -11.162 1.00 0.00 C ATOM 315 C ASP A 23 15.424 -12.722 -10.267 1.00 0.00 C ATOM 316 O ASP A 23 15.646 -13.465 -9.298 1.00 0.00 O ATOM 317 CB ASP A 23 14.542 -13.850 -12.405 1.00 0.00 C ATOM 318 CG ASP A 23 15.373 -15.099 -12.051 1.00 0.00 C ATOM 319 OD1 ASP A 23 14.791 -16.086 -11.561 1.00 0.00 O ATOM 320 OD2 ASP A 23 16.609 -15.091 -12.254 1.00 0.00 O ATOM 0 H ASP A 23 12.580 -11.615 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 23 13.472 -13.555 -10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.624 -14.162 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.100 -13.240 -13.115 1.00 0.00 H new ATOM 325 N GLY A 24 16.240 -11.687 -10.609 1.00 0.00 N ATOM 326 CA GLY A 24 17.388 -11.250 -9.782 1.00 0.00 C ATOM 327 C GLY A 24 17.014 -10.776 -8.370 1.00 0.00 C ATOM 328 O GLY A 24 15.908 -11.031 -7.904 1.00 0.00 O ATOM 0 H GLY A 24 16.118 -11.139 -11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.094 -12.076 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.904 -10.440 -10.298 1.00 0.00 H new ATOM 332 N SER A 25 17.913 -10.001 -7.717 1.00 0.00 N ATOM 333 CA SER A 25 17.860 -9.722 -6.264 1.00 0.00 C ATOM 334 C SER A 25 16.849 -8.603 -5.934 1.00 0.00 C ATOM 335 O SER A 25 17.213 -7.461 -5.649 1.00 0.00 O ATOM 336 CB SER A 25 19.281 -9.387 -5.745 1.00 0.00 C ATOM 337 OG SER A 25 19.872 -8.352 -6.514 1.00 0.00 O ATOM 0 H SER A 25 18.698 -9.550 -8.187 1.00 0.00 H new ATOM 0 HA SER A 25 17.506 -10.616 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.228 -9.083 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.907 -10.278 -5.787 1.00 0.00 H new ATOM 0 HG SER A 25 20.821 -8.273 -6.282 1.00 0.00 H new ATOM 343 N CYS A 26 15.577 -8.991 -6.050 1.00 0.00 N ATOM 344 CA CYS A 26 14.378 -8.213 -5.689 1.00 0.00 C ATOM 345 C CYS A 26 13.151 -9.047 -6.122 1.00 0.00 C ATOM 346 O CYS A 26 12.098 -8.980 -5.490 1.00 0.00 O ATOM 347 CB CYS A 26 14.341 -6.765 -6.300 1.00 0.00 C ATOM 348 SG CYS A 26 13.685 -6.564 -7.990 1.00 0.00 S ATOM 0 H CYS A 26 15.336 -9.911 -6.420 1.00 0.00 H new ATOM 0 HA CYS A 26 14.383 -8.041 -4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.748 -6.137 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 26 15.357 -6.371 -6.288 1.00 0.00 H new ATOM 0 HG CYS A 26 14.343 -7.333 -8.805 1.00 0.00 H new ATOM 353 N ASN A 27 13.337 -9.831 -7.229 1.00 0.00 N ATOM 354 CA ASN A 27 12.377 -10.857 -7.770 1.00 0.00 C ATOM 355 C ASN A 27 11.159 -10.250 -8.510 1.00 0.00 C ATOM 356 O ASN A 27 10.796 -10.724 -9.596 1.00 0.00 O ATOM 357 CB ASN A 27 11.906 -11.856 -6.663 1.00 0.00 C ATOM 358 CG ASN A 27 10.949 -12.932 -7.195 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.728 -12.775 -7.148 1.00 0.00 O ATOM 360 ND2 ASN A 27 11.499 -14.019 -7.724 1.00 0.00 N ATOM 0 H ASN A 27 14.186 -9.767 -7.790 1.00 0.00 H new ATOM 0 HA ASN A 27 12.948 -11.408 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.778 -12.339 -6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.412 -11.300 -5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.906 -14.755 -8.107 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.514 -14.117 -7.747 1.00 0.00 H new ATOM 367 N GLN A 28 10.578 -9.197 -7.905 1.00 0.00 N ATOM 368 CA GLN A 28 9.266 -8.600 -8.248 1.00 0.00 C ATOM 369 C GLN A 28 9.069 -8.338 -9.749 1.00 0.00 C ATOM 370 O GLN A 28 10.030 -8.072 -10.495 1.00 0.00 O ATOM 371 CB GLN A 28 9.087 -7.265 -7.460 1.00 0.00 C ATOM 372 CG GLN A 28 9.160 -7.419 -5.932 1.00 0.00 C ATOM 373 CD GLN A 28 9.031 -6.097 -5.177 1.00 0.00 C ATOM 374 OE1 GLN A 28 10.022 -5.448 -4.878 1.00 0.00 O ATOM 375 NE2 GLN A 28 7.806 -5.680 -4.906 1.00 0.00 N ATOM 0 H GLN A 28 11.028 -8.714 -7.127 1.00 0.00 H new ATOM 0 HA GLN A 28 8.510 -9.333 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.856 -6.562 -7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.124 -6.827 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.368 -8.093 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.108 -7.888 -5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.003 -6.250 -5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.664 -4.788 -4.432 1.00 0.00 H new ATOM 384 N TRP A 29 7.805 -8.439 -10.168 1.00 0.00 N ATOM 385 CA TRP A 29 7.374 -8.103 -11.518 1.00 0.00 C ATOM 386 C TRP A 29 7.341 -6.579 -11.671 1.00 0.00 C ATOM 387 O TRP A 29 7.058 -5.845 -10.714 1.00 0.00 O ATOM 388 CB TRP A 29 5.987 -8.728 -11.807 1.00 0.00 C ATOM 389 CG TRP A 29 6.038 -10.221 -12.036 1.00 0.00 C ATOM 390 CD1 TRP A 29 6.496 -11.182 -11.177 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.609 -10.907 -13.210 1.00 0.00 C ATOM 392 NE1 TRP A 29 6.404 -12.417 -11.766 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.849 -12.275 -13.015 1.00 0.00 C ATOM 394 CE3 TRP A 29 5.050 -10.482 -14.409 1.00 0.00 C ATOM 395 CZ2 TRP A 29 5.556 -13.227 -13.990 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.749 -11.416 -15.375 1.00 0.00 C ATOM 397 CH2 TRP A 29 5.001 -12.781 -15.159 1.00 0.00 C ATOM 0 H TRP A 29 7.046 -8.761 -9.568 1.00 0.00 H new ATOM 0 HA TRP A 29 8.078 -8.511 -12.243 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.321 -8.519 -10.970 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.556 -8.248 -12.685 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.874 -10.996 -10.183 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.700 -13.298 -11.345 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.854 -9.434 -14.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.759 -14.276 -13.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.314 -11.095 -16.310 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.752 -13.493 -15.931 1.00 0.00 H new ATOM 408 N PHE A 30 7.689 -6.115 -12.870 1.00 0.00 N ATOM 409 CA PHE A 30 7.787 -4.688 -13.186 1.00 0.00 C ATOM 410 C PHE A 30 7.065 -4.376 -14.497 1.00 0.00 C ATOM 411 O PHE A 30 7.311 -5.026 -15.502 1.00 0.00 O ATOM 412 CB PHE A 30 9.273 -4.236 -13.255 1.00 0.00 C ATOM 413 CG PHE A 30 10.018 -4.263 -11.918 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.783 -3.280 -10.948 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.958 -5.251 -11.631 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.456 -3.294 -9.745 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.632 -5.263 -10.423 1.00 0.00 C ATOM 418 CZ PHE A 30 11.382 -4.283 -9.481 1.00 0.00 C ATOM 0 H PHE A 30 7.913 -6.723 -13.658 1.00 0.00 H new ATOM 0 HA PHE A 30 7.301 -4.129 -12.386 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.800 -4.878 -13.961 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.311 -3.223 -13.655 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.064 -2.499 -11.146 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.163 -6.019 -12.362 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.258 -2.530 -9.008 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.354 -6.039 -10.216 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.911 -4.291 -8.539 1.00 0.00 H new ATOM 428 N HIS A 31 6.160 -3.370 -14.468 1.00 0.00 N ATOM 429 CA HIS A 31 5.501 -2.852 -15.691 1.00 0.00 C ATOM 430 C HIS A 31 6.563 -2.158 -16.571 1.00 0.00 C ATOM 431 O HIS A 31 7.563 -1.650 -16.040 1.00 0.00 O ATOM 432 CB HIS A 31 4.289 -1.872 -15.375 1.00 0.00 C ATOM 433 CG HIS A 31 3.929 -1.698 -13.913 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.590 -2.728 -13.081 1.00 0.00 N ATOM 435 CD2 HIS A 31 4.037 -0.611 -13.130 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.540 -2.238 -11.838 1.00 0.00 C ATOM 437 NE2 HIS A 31 3.851 -0.942 -11.798 1.00 0.00 N ATOM 0 H HIS A 31 5.869 -2.900 -13.611 1.00 0.00 H new ATOM 0 HA HIS A 31 5.065 -3.696 -16.225 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.525 -0.891 -15.788 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.408 -2.236 -15.903 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.409 -3.693 -13.357 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.241 0.386 -13.491 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.278 -2.823 -10.969 1.00 0.00 H new ATOM 445 N GLN A 32 6.354 -2.143 -17.904 1.00 0.00 N ATOM 446 CA GLN A 32 7.234 -1.416 -18.846 1.00 0.00 C ATOM 447 C GLN A 32 7.320 0.070 -18.454 1.00 0.00 C ATOM 448 O GLN A 32 8.393 0.664 -18.457 1.00 0.00 O ATOM 449 CB GLN A 32 6.735 -1.543 -20.316 1.00 0.00 C ATOM 450 CG GLN A 32 6.932 -2.936 -20.969 1.00 0.00 C ATOM 451 CD GLN A 32 6.704 -2.939 -22.495 1.00 0.00 C ATOM 452 OE1 GLN A 32 6.922 -1.932 -23.167 1.00 0.00 O ATOM 453 NE2 GLN A 32 6.294 -4.066 -23.058 1.00 0.00 N ATOM 0 H GLN A 32 5.579 -2.629 -18.355 1.00 0.00 H new ATOM 0 HA GLN A 32 8.224 -1.868 -18.785 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.674 -1.294 -20.344 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.253 -0.800 -20.923 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.943 -3.287 -20.760 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.246 -3.646 -20.506 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.119 -4.890 -22.482 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.153 -4.110 -24.067 1.00 0.00 H new ATOM 462 N VAL A 33 6.163 0.617 -18.068 1.00 0.00 N ATOM 463 CA VAL A 33 6.014 2.022 -17.655 1.00 0.00 C ATOM 464 C VAL A 33 6.666 2.313 -16.273 1.00 0.00 C ATOM 465 O VAL A 33 6.865 3.476 -15.909 1.00 0.00 O ATOM 466 CB VAL A 33 4.495 2.421 -17.649 1.00 0.00 C ATOM 467 CG1 VAL A 33 3.852 2.153 -19.038 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.709 1.702 -16.511 1.00 0.00 C ATOM 0 H VAL A 33 5.290 0.091 -18.032 1.00 0.00 H new ATOM 0 HA VAL A 33 6.546 2.633 -18.384 1.00 0.00 H new ATOM 0 HB VAL A 33 4.436 3.490 -17.447 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.800 2.436 -19.013 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.368 2.741 -19.797 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.937 1.094 -19.280 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.663 2.006 -16.543 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.777 0.623 -16.647 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.136 1.974 -15.546 1.00 0.00 H new ATOM 478 N CYS A 34 6.937 1.244 -15.493 1.00 0.00 N ATOM 479 CA CYS A 34 7.574 1.353 -14.150 1.00 0.00 C ATOM 480 C CYS A 34 9.112 1.530 -14.267 1.00 0.00 C ATOM 481 O CYS A 34 9.698 2.392 -13.607 1.00 0.00 O ATOM 482 CB CYS A 34 7.260 0.083 -13.303 1.00 0.00 C ATOM 483 SG CYS A 34 7.240 0.310 -11.486 1.00 0.00 S ATOM 0 H CYS A 34 6.725 0.285 -15.768 1.00 0.00 H new ATOM 0 HA CYS A 34 7.162 2.234 -13.657 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.288 -0.303 -13.611 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.998 -0.682 -13.545 1.00 0.00 H new ATOM 0 HG CYS A 34 7.545 1.541 -11.199 1.00 0.00 H new ATOM 488 N VAL A 35 9.744 0.695 -15.123 1.00 0.00 N ATOM 489 CA VAL A 35 11.232 0.558 -15.201 1.00 0.00 C ATOM 490 C VAL A 35 11.799 0.929 -16.593 1.00 0.00 C ATOM 491 O VAL A 35 12.991 0.699 -16.855 1.00 0.00 O ATOM 492 CB VAL A 35 11.680 -0.911 -14.814 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.706 -1.122 -13.279 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.767 -1.954 -15.497 1.00 0.00 C ATOM 0 H VAL A 35 9.246 0.095 -15.781 1.00 0.00 H new ATOM 0 HA VAL A 35 11.643 1.268 -14.483 1.00 0.00 H new ATOM 0 HB VAL A 35 12.699 -1.049 -15.176 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.018 -2.142 -13.057 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.408 -0.421 -12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.710 -0.951 -12.871 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.090 -2.957 -15.220 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.737 -1.802 -15.175 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.829 -1.839 -16.579 1.00 0.00 H new ATOM 504 N GLY A 36 10.954 1.507 -17.469 1.00 0.00 N ATOM 505 CA GLY A 36 11.373 1.931 -18.818 1.00 0.00 C ATOM 506 C GLY A 36 11.762 0.761 -19.728 1.00 0.00 C ATOM 507 O GLY A 36 12.703 0.869 -20.521 1.00 0.00 O ATOM 0 H GLY A 36 9.972 1.691 -17.264 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.562 2.490 -19.284 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.220 2.611 -18.731 1.00 0.00 H new ATOM 511 N VAL A 37 11.036 -0.363 -19.599 1.00 0.00 N ATOM 512 CA VAL A 37 11.281 -1.582 -20.396 1.00 0.00 C ATOM 513 C VAL A 37 10.692 -1.444 -21.808 1.00 0.00 C ATOM 514 O VAL A 37 9.563 -0.979 -21.977 1.00 0.00 O ATOM 515 CB VAL A 37 10.721 -2.868 -19.654 1.00 0.00 C ATOM 516 CG1 VAL A 37 10.494 -4.087 -20.581 1.00 0.00 C ATOM 517 CG2 VAL A 37 11.664 -3.266 -18.519 1.00 0.00 C ATOM 0 H VAL A 37 10.263 -0.454 -18.940 1.00 0.00 H new ATOM 0 HA VAL A 37 12.359 -1.707 -20.501 1.00 0.00 H new ATOM 0 HB VAL A 37 9.741 -2.586 -19.269 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.111 -4.923 -19.996 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.773 -3.826 -21.356 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.438 -4.372 -21.045 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.273 -4.149 -18.014 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.650 -3.487 -18.926 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.742 -2.445 -17.806 1.00 0.00 H new ATOM 527 N SER A 38 11.492 -1.840 -22.810 1.00 0.00 N ATOM 528 CA SER A 38 11.062 -1.918 -24.214 1.00 0.00 C ATOM 529 C SER A 38 10.196 -3.187 -24.428 1.00 0.00 C ATOM 530 O SER A 38 10.370 -4.166 -23.687 1.00 0.00 O ATOM 531 CB SER A 38 12.308 -1.945 -25.131 1.00 0.00 C ATOM 532 OG SER A 38 13.143 -3.064 -24.853 1.00 0.00 O ATOM 0 H SER A 38 12.463 -2.117 -22.667 1.00 0.00 H new ATOM 0 HA SER A 38 10.460 -1.045 -24.464 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.992 -1.977 -26.174 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.877 -1.025 -24.999 1.00 0.00 H new ATOM 0 HG SER A 38 13.919 -3.050 -25.452 1.00 0.00 H new ATOM 538 N PRO A 39 9.255 -3.204 -25.437 1.00 0.00 N ATOM 539 CA PRO A 39 8.421 -4.397 -25.728 1.00 0.00 C ATOM 540 C PRO A 39 9.277 -5.654 -25.978 1.00 0.00 C ATOM 541 O PRO A 39 8.882 -6.760 -25.619 1.00 0.00 O ATOM 542 CB PRO A 39 7.625 -3.995 -26.996 1.00 0.00 C ATOM 543 CG PRO A 39 7.605 -2.501 -26.968 1.00 0.00 C ATOM 544 CD PRO A 39 8.933 -2.087 -26.369 1.00 0.00 C ATOM 0 HA PRO A 39 7.776 -4.661 -24.890 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.105 -4.369 -27.901 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.616 -4.406 -26.978 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.483 -2.092 -27.971 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.773 -2.131 -26.369 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.700 -1.969 -27.135 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.858 -1.135 -25.844 1.00 0.00 H new ATOM 552 N GLU A 40 10.486 -5.433 -26.544 1.00 0.00 N ATOM 553 CA GLU A 40 11.471 -6.497 -26.798 1.00 0.00 C ATOM 554 C GLU A 40 11.845 -7.240 -25.506 1.00 0.00 C ATOM 555 O GLU A 40 11.719 -8.452 -25.456 1.00 0.00 O ATOM 556 CB GLU A 40 12.746 -5.935 -27.480 1.00 0.00 C ATOM 557 CG GLU A 40 12.488 -5.231 -28.824 1.00 0.00 C ATOM 558 CD GLU A 40 13.766 -5.027 -29.651 1.00 0.00 C ATOM 559 OE1 GLU A 40 14.485 -4.036 -29.433 1.00 0.00 O ATOM 560 OE2 GLU A 40 14.077 -5.890 -30.504 1.00 0.00 O ATOM 0 H GLU A 40 10.802 -4.508 -26.836 1.00 0.00 H new ATOM 0 HA GLU A 40 11.002 -7.209 -27.477 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.227 -5.231 -26.801 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.448 -6.753 -27.641 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.776 -5.818 -29.404 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.025 -4.262 -28.637 1.00 0.00 H new ATOM 567 N MET A 41 12.244 -6.488 -24.459 1.00 0.00 N ATOM 568 CA MET A 41 12.704 -7.074 -23.171 1.00 0.00 C ATOM 569 C MET A 41 11.553 -7.801 -22.435 1.00 0.00 C ATOM 570 O MET A 41 11.767 -8.853 -21.821 1.00 0.00 O ATOM 571 CB MET A 41 13.321 -5.982 -22.252 1.00 0.00 C ATOM 572 CG MET A 41 14.540 -5.268 -22.843 1.00 0.00 C ATOM 573 SD MET A 41 15.892 -6.401 -23.230 1.00 0.00 S ATOM 574 CE MET A 41 17.102 -5.293 -23.958 1.00 0.00 C ATOM 0 H MET A 41 12.259 -5.468 -24.476 1.00 0.00 H new ATOM 0 HA MET A 41 13.474 -7.809 -23.407 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.555 -5.240 -22.027 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.608 -6.441 -21.306 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.243 -4.741 -23.749 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.893 -4.516 -22.137 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.989 -5.859 -24.244 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.675 -4.818 -24.841 1.00 0.00 H new ATOM 0 HE3 MET A 41 17.378 -4.528 -23.232 1.00 0.00 H new ATOM 584 N ALA A 42 10.334 -7.228 -22.532 1.00 0.00 N ATOM 585 CA ALA A 42 9.121 -7.788 -21.885 1.00 0.00 C ATOM 586 C ALA A 42 8.676 -9.115 -22.549 1.00 0.00 C ATOM 587 O ALA A 42 8.089 -9.978 -21.897 1.00 0.00 O ATOM 588 CB ALA A 42 7.978 -6.760 -21.914 1.00 0.00 C ATOM 0 H ALA A 42 10.160 -6.370 -23.056 1.00 0.00 H new ATOM 0 HA ALA A 42 9.372 -8.010 -20.848 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.095 -7.184 -21.436 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.284 -5.861 -21.379 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.744 -6.505 -22.948 1.00 0.00 H new ATOM 594 N GLU A 43 8.946 -9.256 -23.862 1.00 0.00 N ATOM 595 CA GLU A 43 8.625 -10.485 -24.629 1.00 0.00 C ATOM 596 C GLU A 43 9.789 -11.492 -24.583 1.00 0.00 C ATOM 597 O GLU A 43 9.571 -12.703 -24.631 1.00 0.00 O ATOM 598 CB GLU A 43 8.287 -10.106 -26.100 1.00 0.00 C ATOM 599 CG GLU A 43 7.025 -9.233 -26.239 1.00 0.00 C ATOM 600 CD GLU A 43 6.769 -8.773 -27.680 1.00 0.00 C ATOM 601 OE1 GLU A 43 6.268 -9.585 -28.494 1.00 0.00 O ATOM 602 OE2 GLU A 43 7.075 -7.609 -28.018 1.00 0.00 O ATOM 0 H GLU A 43 9.390 -8.528 -24.422 1.00 0.00 H new ATOM 0 HA GLU A 43 7.759 -10.964 -24.172 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.135 -9.576 -26.533 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.152 -11.019 -26.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.161 -9.794 -25.884 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.123 -8.358 -25.596 1.00 0.00 H new ATOM 609 N LYS A 44 11.019 -10.976 -24.456 1.00 0.00 N ATOM 610 CA LYS A 44 12.256 -11.785 -24.521 1.00 0.00 C ATOM 611 C LYS A 44 12.565 -12.431 -23.164 1.00 0.00 C ATOM 612 O LYS A 44 13.314 -13.412 -23.109 1.00 0.00 O ATOM 613 CB LYS A 44 13.443 -10.887 -24.933 1.00 0.00 C ATOM 614 CG LYS A 44 14.733 -11.636 -25.328 1.00 0.00 C ATOM 615 CD LYS A 44 15.882 -10.680 -25.706 1.00 0.00 C ATOM 616 CE LYS A 44 15.511 -9.698 -26.833 1.00 0.00 C ATOM 617 NZ LYS A 44 15.108 -10.397 -28.079 1.00 0.00 N ATOM 0 H LYS A 44 11.191 -9.982 -24.304 1.00 0.00 H new ATOM 0 HA LYS A 44 12.107 -12.574 -25.259 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.132 -10.266 -25.773 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.672 -10.214 -24.106 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.050 -12.269 -24.499 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.522 -12.296 -26.170 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.180 -10.114 -24.823 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.747 -11.267 -26.015 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.696 -9.056 -26.499 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.362 -9.050 -27.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.917 -9.697 -28.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.875 -11.028 -28.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.249 -10.956 -27.901 1.00 0.00 H new ATOM 631 N GLU A 45 11.980 -11.848 -22.082 1.00 0.00 N ATOM 632 CA GLU A 45 12.305 -12.186 -20.679 1.00 0.00 C ATOM 633 C GLU A 45 13.734 -11.680 -20.366 1.00 0.00 C ATOM 634 O GLU A 45 14.239 -10.770 -21.045 1.00 0.00 O ATOM 635 CB GLU A 45 12.152 -13.726 -20.397 1.00 0.00 C ATOM 636 CG GLU A 45 10.803 -14.318 -20.841 1.00 0.00 C ATOM 637 CD GLU A 45 9.608 -13.783 -20.038 1.00 0.00 C ATOM 638 OE1 GLU A 45 9.484 -14.136 -18.838 1.00 0.00 O ATOM 639 OE2 GLU A 45 8.790 -13.011 -20.586 1.00 0.00 O ATOM 0 H GLU A 45 11.265 -11.125 -22.166 1.00 0.00 H new ATOM 0 HA GLU A 45 11.596 -11.691 -20.016 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.955 -14.259 -20.906 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.280 -13.903 -19.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.649 -14.099 -21.898 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.841 -15.403 -20.743 1.00 0.00 H new ATOM 646 N ASP A 46 14.329 -12.218 -19.289 1.00 0.00 N ATOM 647 CA ASP A 46 15.744 -12.007 -18.918 1.00 0.00 C ATOM 648 C ASP A 46 16.036 -10.570 -18.449 1.00 0.00 C ATOM 649 O ASP A 46 17.201 -10.236 -18.178 1.00 0.00 O ATOM 650 CB ASP A 46 16.708 -12.412 -20.073 1.00 0.00 C ATOM 651 CG ASP A 46 16.564 -13.882 -20.508 1.00 0.00 C ATOM 652 OD1 ASP A 46 17.077 -14.779 -19.802 1.00 0.00 O ATOM 653 OD2 ASP A 46 15.941 -14.150 -21.557 1.00 0.00 O ATOM 0 H ASP A 46 13.833 -12.825 -18.636 1.00 0.00 H new ATOM 0 HA ASP A 46 15.928 -12.663 -18.067 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.523 -11.768 -20.932 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.736 -12.234 -19.757 1.00 0.00 H new ATOM 658 N TYR A 47 14.992 -9.712 -18.358 1.00 0.00 N ATOM 659 CA TYR A 47 15.148 -8.366 -17.814 1.00 0.00 C ATOM 660 C TYR A 47 15.294 -8.469 -16.291 1.00 0.00 C ATOM 661 O TYR A 47 14.309 -8.649 -15.557 1.00 0.00 O ATOM 662 CB TYR A 47 13.987 -7.402 -18.190 1.00 0.00 C ATOM 663 CG TYR A 47 14.153 -6.001 -17.545 1.00 0.00 C ATOM 664 CD1 TYR A 47 15.029 -5.053 -18.090 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.484 -5.655 -16.359 1.00 0.00 C ATOM 666 CE1 TYR A 47 15.221 -3.823 -17.482 1.00 0.00 C ATOM 667 CE2 TYR A 47 13.673 -4.424 -15.755 1.00 0.00 C ATOM 668 CZ TYR A 47 14.541 -3.513 -16.320 1.00 0.00 C ATOM 669 OH TYR A 47 14.735 -2.287 -15.715 1.00 0.00 O ATOM 0 H TYR A 47 14.043 -9.938 -18.656 1.00 0.00 H new ATOM 0 HA TYR A 47 16.042 -7.931 -18.261 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.941 -7.297 -19.274 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.039 -7.836 -17.871 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.564 -5.285 -18.999 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.807 -6.366 -15.908 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.902 -3.106 -17.916 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.144 -4.178 -14.846 1.00 0.00 H new ATOM 0 HH TYR A 47 14.955 -1.617 -16.396 1.00 0.00 H new ATOM 679 N ILE A 48 16.543 -8.417 -15.852 1.00 0.00 N ATOM 680 CA ILE A 48 16.903 -8.193 -14.457 1.00 0.00 C ATOM 681 C ILE A 48 17.281 -6.706 -14.344 1.00 0.00 C ATOM 682 O ILE A 48 17.959 -6.195 -15.250 1.00 0.00 O ATOM 683 CB ILE A 48 18.117 -9.116 -14.039 1.00 0.00 C ATOM 684 CG1 ILE A 48 17.832 -10.618 -14.404 1.00 0.00 C ATOM 685 CG2 ILE A 48 18.455 -8.963 -12.536 1.00 0.00 C ATOM 686 CD1 ILE A 48 18.955 -11.594 -14.080 1.00 0.00 C ATOM 0 H ILE A 48 17.350 -8.531 -16.465 1.00 0.00 H new ATOM 0 HA ILE A 48 16.077 -8.440 -13.790 1.00 0.00 H new ATOM 0 HB ILE A 48 18.989 -8.790 -14.605 1.00 0.00 H new ATOM 0 HG12 ILE A 48 16.933 -10.938 -13.878 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.616 -10.680 -15.471 1.00 0.00 H new ATOM 0 HG21 ILE A 48 19.294 -9.612 -12.284 1.00 0.00 H new ATOM 0 HG22 ILE A 48 18.722 -7.927 -12.327 1.00 0.00 H new ATOM 0 HG23 ILE A 48 17.588 -9.242 -11.938 1.00 0.00 H new ATOM 0 HD11 ILE A 48 18.657 -12.601 -14.371 1.00 0.00 H new ATOM 0 HD12 ILE A 48 19.854 -11.309 -14.627 1.00 0.00 H new ATOM 0 HD13 ILE A 48 19.160 -11.571 -13.010 1.00 0.00 H new ATOM 698 N CYS A 49 16.801 -5.987 -13.288 1.00 0.00 N ATOM 699 CA CYS A 49 17.260 -4.594 -13.035 1.00 0.00 C ATOM 700 C CYS A 49 18.806 -4.648 -12.916 1.00 0.00 C ATOM 701 O CYS A 49 19.318 -5.516 -12.209 1.00 0.00 O ATOM 702 CB CYS A 49 16.620 -3.963 -11.745 1.00 0.00 C ATOM 703 SG CYS A 49 15.026 -4.674 -11.201 1.00 0.00 S ATOM 0 H CYS A 49 16.117 -6.338 -12.618 1.00 0.00 H new ATOM 0 HA CYS A 49 16.943 -3.951 -13.856 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.334 -4.058 -10.927 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.477 -2.897 -11.921 1.00 0.00 H new ATOM 0 HG CYS A 49 14.620 -4.060 -10.129 1.00 0.00 H new ATOM 708 N VAL A 50 19.530 -3.776 -13.649 1.00 0.00 N ATOM 709 CA VAL A 50 21.005 -3.888 -13.835 1.00 0.00 C ATOM 710 C VAL A 50 21.773 -3.967 -12.489 1.00 0.00 C ATOM 711 O VAL A 50 22.754 -4.705 -12.365 1.00 0.00 O ATOM 712 CB VAL A 50 21.554 -2.701 -14.712 1.00 0.00 C ATOM 713 CG1 VAL A 50 23.074 -2.843 -14.995 1.00 0.00 C ATOM 714 CG2 VAL A 50 20.743 -2.580 -16.033 1.00 0.00 C ATOM 0 H VAL A 50 19.118 -2.976 -14.129 1.00 0.00 H new ATOM 0 HA VAL A 50 21.181 -4.827 -14.360 1.00 0.00 H new ATOM 0 HB VAL A 50 21.424 -1.781 -14.143 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.411 -2.003 -15.603 1.00 0.00 H new ATOM 0 HG12 VAL A 50 23.621 -2.851 -14.052 1.00 0.00 H new ATOM 0 HG13 VAL A 50 23.259 -3.775 -15.529 1.00 0.00 H new ATOM 0 HG21 VAL A 50 21.136 -1.755 -16.627 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.829 -3.508 -16.599 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.695 -2.393 -15.800 1.00 0.00 H new ATOM 724 N ARG A 51 21.263 -3.245 -11.478 1.00 0.00 N ATOM 725 CA ARG A 51 21.832 -3.237 -10.112 1.00 0.00 C ATOM 726 C ARG A 51 21.624 -4.606 -9.416 1.00 0.00 C ATOM 727 O ARG A 51 22.497 -5.063 -8.677 1.00 0.00 O ATOM 728 CB ARG A 51 21.202 -2.088 -9.281 1.00 0.00 C ATOM 729 CG ARG A 51 21.309 -0.705 -9.957 1.00 0.00 C ATOM 730 CD ARG A 51 20.554 0.406 -9.205 1.00 0.00 C ATOM 731 NE ARG A 51 20.526 1.662 -9.978 1.00 0.00 N ATOM 732 CZ ARG A 51 19.569 2.594 -9.902 1.00 0.00 C ATOM 733 NH1 ARG A 51 18.546 2.461 -9.062 1.00 0.00 N ATOM 734 NH2 ARG A 51 19.645 3.658 -10.680 1.00 0.00 N ATOM 0 H ARG A 51 20.443 -2.648 -11.581 1.00 0.00 H new ATOM 0 HA ARG A 51 22.906 -3.065 -10.183 1.00 0.00 H new ATOM 0 HB2 ARG A 51 20.151 -2.315 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.690 -2.046 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 51 22.360 -0.429 -10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 51 20.920 -0.775 -10.973 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.534 0.080 -9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 51 21.030 0.582 -8.241 1.00 0.00 H new ATOM 0 HE ARG A 51 21.298 1.834 -10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 51 18.482 1.638 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.826 3.182 -9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 51 20.426 3.761 -11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.923 4.377 -10.633 1.00 0.00 H new ATOM 748 N CYS A 52 20.464 -5.254 -9.686 1.00 0.00 N ATOM 749 CA CYS A 52 20.181 -6.638 -9.225 1.00 0.00 C ATOM 750 C CYS A 52 21.136 -7.648 -9.870 1.00 0.00 C ATOM 751 O CYS A 52 21.404 -8.678 -9.282 1.00 0.00 O ATOM 752 CB CYS A 52 18.741 -7.096 -9.558 1.00 0.00 C ATOM 753 SG CYS A 52 17.411 -6.257 -8.686 1.00 0.00 S ATOM 0 H CYS A 52 19.704 -4.838 -10.224 1.00 0.00 H new ATOM 0 HA CYS A 52 20.315 -6.611 -8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 52 18.581 -6.968 -10.629 1.00 0.00 H new ATOM 0 HB3 CYS A 52 18.666 -8.163 -9.350 1.00 0.00 H new ATOM 0 HG CYS A 52 16.601 -5.717 -9.547 1.00 0.00 H new ATOM 758 N THR A 53 21.582 -7.367 -11.110 1.00 0.00 N ATOM 759 CA THR A 53 22.494 -8.260 -11.849 1.00 0.00 C ATOM 760 C THR A 53 23.896 -8.236 -11.201 1.00 0.00 C ATOM 761 O THR A 53 24.517 -9.283 -10.990 1.00 0.00 O ATOM 762 CB THR A 53 22.587 -7.833 -13.352 1.00 0.00 C ATOM 763 OG1 THR A 53 21.266 -7.540 -13.840 1.00 0.00 O ATOM 764 CG2 THR A 53 23.242 -8.921 -14.231 1.00 0.00 C ATOM 0 H THR A 53 21.323 -6.524 -11.622 1.00 0.00 H new ATOM 0 HA THR A 53 22.098 -9.275 -11.804 1.00 0.00 H new ATOM 0 HB THR A 53 23.220 -6.948 -13.411 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.317 -7.270 -14.781 1.00 0.00 H new ATOM 0 HG21 THR A 53 23.284 -8.577 -15.265 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.253 -9.118 -13.873 1.00 0.00 H new ATOM 0 HG23 THR A 53 22.653 -9.836 -14.176 1.00 0.00 H new ATOM 772 N VAL A 54 24.353 -7.014 -10.864 1.00 0.00 N ATOM 773 CA VAL A 54 25.653 -6.770 -10.199 1.00 0.00 C ATOM 774 C VAL A 54 25.629 -7.288 -8.740 1.00 0.00 C ATOM 775 O VAL A 54 26.637 -7.754 -8.215 1.00 0.00 O ATOM 776 CB VAL A 54 26.013 -5.230 -10.235 1.00 0.00 C ATOM 777 CG1 VAL A 54 27.386 -4.929 -9.570 1.00 0.00 C ATOM 778 CG2 VAL A 54 25.966 -4.688 -11.689 1.00 0.00 C ATOM 0 H VAL A 54 23.827 -6.159 -11.046 1.00 0.00 H new ATOM 0 HA VAL A 54 26.423 -7.318 -10.743 1.00 0.00 H new ATOM 0 HB VAL A 54 25.257 -4.709 -9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 54 27.588 -3.859 -9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.362 -5.245 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 54 28.172 -5.471 -10.096 1.00 0.00 H new ATOM 0 HG21 VAL A 54 26.217 -3.627 -11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.684 -5.231 -12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.964 -4.824 -12.096 1.00 0.00 H new ATOM 788 N LYS A 55 24.448 -7.239 -8.114 1.00 0.00 N ATOM 789 CA LYS A 55 24.269 -7.598 -6.694 1.00 0.00 C ATOM 790 C LYS A 55 23.361 -8.847 -6.571 1.00 0.00 C ATOM 791 O LYS A 55 22.677 -9.052 -5.562 1.00 0.00 O ATOM 792 CB LYS A 55 23.708 -6.344 -5.959 1.00 0.00 C ATOM 793 CG LYS A 55 23.714 -6.416 -4.417 1.00 0.00 C ATOM 794 CD LYS A 55 23.460 -5.039 -3.762 1.00 0.00 C ATOM 795 CE LYS A 55 23.374 -5.115 -2.230 1.00 0.00 C ATOM 796 NZ LYS A 55 22.168 -5.854 -1.784 1.00 0.00 N ATOM 0 H LYS A 55 23.585 -6.949 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 55 25.213 -7.875 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 55 24.289 -5.475 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 55 22.684 -6.177 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 55 22.950 -7.119 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.674 -6.805 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.261 -4.355 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.532 -4.621 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 55 24.266 -5.605 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 55 23.357 -4.107 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.090 -5.798 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.322 -5.433 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.245 -6.850 -2.072 1.00 0.00 H new ATOM 810 N ASP A 56 23.401 -9.695 -7.619 1.00 0.00 N ATOM 811 CA ASP A 56 22.651 -10.974 -7.678 1.00 0.00 C ATOM 812 C ASP A 56 23.139 -11.932 -6.578 1.00 0.00 C ATOM 813 O ASP A 56 22.345 -12.617 -5.928 1.00 0.00 O ATOM 814 CB ASP A 56 22.807 -11.617 -9.091 1.00 0.00 C ATOM 815 CG ASP A 56 22.005 -12.927 -9.268 1.00 0.00 C ATOM 816 OD1 ASP A 56 20.812 -12.864 -9.660 1.00 0.00 O ATOM 817 OD2 ASP A 56 22.562 -14.024 -9.010 1.00 0.00 O ATOM 0 H ASP A 56 23.957 -9.514 -8.455 1.00 0.00 H new ATOM 0 HA ASP A 56 21.593 -10.776 -7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.485 -10.899 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.862 -11.819 -9.274 1.00 0.00 H new