USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 388 hydrogens (5 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 41 THR OG1 : rot 149:sc= 0.633 USER MOD Set 1.2: A 49 THR OG1 : rot 106:sc= 0.7 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 12 THR OG1 : rot -36:sc= 0.0724 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 21 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.2) USER MOD Single : A 24 SER OG : rot -94:sc= 0.195 USER MOD Single : A 26 HIS : no HE2:sc= 0.241 K(o=0.24,f=-3.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.324 K(o=0.32,f=-7.6!) USER MOD Single : A 39 GLN : amide:sc= -0.735 X(o=-0.73,f=-0.33) USER MOD Single : A 46 THR OG1 : rot -81:sc= 1.19 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -16.998 -1.875 -2.812 1.00 0.00 N HETATM 2 CA PCA A 1 -16.870 -1.438 -1.434 1.00 0.00 C HETATM 3 CB PCA A 1 -16.276 -2.664 -0.725 1.00 0.00 C HETATM 4 CG PCA A 1 -15.438 -3.301 -1.837 1.00 0.00 C HETATM 5 CD PCA A 1 -16.180 -2.883 -3.093 1.00 0.00 C HETATM 6 OE PCA A 1 -16.029 -3.414 -4.192 1.00 0.00 O HETATM 7 C PCA A 1 -15.938 -0.234 -1.326 1.00 0.00 C HETATM 8 O PCA A 1 -15.292 0.158 -2.298 1.00 0.00 O HETATM 0 H2 PCA A 1 -17.637 -2.695 -2.858 1.00 0.00 H new HETATM 0 HA PCA A 1 -17.816 -1.115 -1.000 1.00 0.00 H new HETATM 0 HB2 PCA A 1 -15.667 -2.383 0.134 1.00 0.00 H new HETATM 0 HB3 PCA A 1 -17.050 -3.339 -0.360 1.00 0.00 H new HETATM 0 HG2 PCA A 1 -14.412 -2.934 -1.832 1.00 0.00 H new HETATM 0 HG3 PCA A 1 -15.389 -4.385 -1.737 1.00 0.00 H new ATOM 14 N ASN A 2 -15.871 0.358 -0.129 1.00 0.00 N ATOM 15 CA ASN A 2 -15.008 1.499 0.148 1.00 0.00 C ATOM 16 C ASN A 2 -13.550 1.058 0.292 1.00 0.00 C ATOM 17 O ASN A 2 -12.677 1.886 0.550 1.00 0.00 O ATOM 18 CB ASN A 2 -15.492 2.215 1.413 1.00 0.00 C ATOM 19 CG ASN A 2 -16.865 2.860 1.248 1.00 0.00 C ATOM 20 OD1 ASN A 2 -17.399 2.965 0.148 1.00 0.00 O ATOM 21 ND2 ASN A 2 -17.449 3.304 2.357 1.00 0.00 N ATOM 0 H ASN A 2 -16.419 0.054 0.676 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.059 2.193 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -15.529 1.501 2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -14.768 2.982 1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -18.367 3.747 2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -16.979 3.202 3.257 1.00 0.00 H new ATOM 28 N CYS A 3 -13.286 -0.240 0.129 1.00 0.00 N ATOM 29 CA CYS A 3 -11.953 -0.809 0.233 1.00 0.00 C ATOM 30 C CYS A 3 -11.833 -2.028 -0.685 1.00 0.00 C ATOM 31 O CYS A 3 -11.940 -3.166 -0.224 1.00 0.00 O ATOM 32 CB CYS A 3 -11.659 -1.164 1.691 1.00 0.00 C ATOM 33 SG CYS A 3 -12.927 -2.150 2.531 1.00 0.00 S ATOM 0 H CYS A 3 -14.007 -0.930 -0.082 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.211 -0.079 -0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.716 -1.709 1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.515 -0.239 2.249 1.00 0.00 H new ATOM 38 N PRO A 4 -11.611 -1.805 -1.988 1.00 0.00 N ATOM 39 CA PRO A 4 -11.507 -2.852 -2.995 1.00 0.00 C ATOM 40 C PRO A 4 -10.190 -3.615 -2.885 1.00 0.00 C ATOM 41 O PRO A 4 -9.316 -3.258 -2.096 1.00 0.00 O ATOM 42 CB PRO A 4 -11.609 -2.116 -4.334 1.00 0.00 C ATOM 43 CG PRO A 4 -10.983 -0.757 -4.020 1.00 0.00 C ATOM 44 CD PRO A 4 -11.446 -0.496 -2.590 1.00 0.00 C ATOM 0 HA PRO A 4 -12.287 -3.604 -2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.069 -2.637 -5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.643 -2.019 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.896 -0.785 -4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.330 0.016 -4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.713 0.097 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.382 0.062 -2.577 1.00 0.00 H new ATOM 52 N THR A 5 -10.048 -4.672 -3.691 1.00 0.00 N ATOM 53 CA THR A 5 -8.836 -5.477 -3.751 1.00 0.00 C ATOM 54 C THR A 5 -8.187 -5.296 -5.119 1.00 0.00 C ATOM 55 O THR A 5 -8.881 -5.324 -6.133 1.00 0.00 O ATOM 56 CB THR A 5 -9.176 -6.949 -3.512 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.959 -7.088 -2.348 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.903 -7.776 -3.347 1.00 0.00 C ATOM 0 H THR A 5 -10.781 -4.991 -4.324 1.00 0.00 H new ATOM 0 HA THR A 5 -8.140 -5.155 -2.977 1.00 0.00 H new ATOM 0 HB THR A 5 -9.733 -7.308 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.171 -8.034 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.167 -8.820 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.298 -7.696 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.335 -7.403 -2.495 1.00 0.00 H new ATOM 66 N ARG A 6 -6.862 -5.109 -5.158 1.00 0.00 N ATOM 67 CA ARG A 6 -6.135 -4.957 -6.413 1.00 0.00 C ATOM 68 C ARG A 6 -4.773 -5.637 -6.333 1.00 0.00 C ATOM 69 O ARG A 6 -4.167 -5.678 -5.263 1.00 0.00 O ATOM 70 CB ARG A 6 -5.948 -3.475 -6.762 1.00 0.00 C ATOM 71 CG ARG A 6 -7.296 -2.757 -6.883 1.00 0.00 C ATOM 72 CD ARG A 6 -7.106 -1.332 -7.407 1.00 0.00 C ATOM 73 NE ARG A 6 -6.642 -1.336 -8.799 1.00 0.00 N ATOM 74 CZ ARG A 6 -6.329 -0.236 -9.488 1.00 0.00 C ATOM 75 NH1 ARG A 6 -6.419 0.968 -8.927 1.00 0.00 N ATOM 76 NH2 ARG A 6 -5.920 -0.336 -10.750 1.00 0.00 N ATOM 0 H ARG A 6 -6.273 -5.060 -4.326 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.726 -5.432 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.344 -2.992 -5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.401 -3.386 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.950 -3.312 -7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.787 -2.729 -5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.047 -0.787 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.385 -0.805 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.553 -2.236 -9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.730 1.058 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.177 1.800 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.846 -1.253 -11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.681 0.504 -11.277 1.00 0.00 H new ATOM 90 N ARG A 7 -4.306 -6.163 -7.469 1.00 0.00 N ATOM 91 CA ARG A 7 -3.019 -6.840 -7.607 1.00 0.00 C ATOM 92 C ARG A 7 -2.400 -6.488 -8.958 1.00 0.00 C ATOM 93 O ARG A 7 -3.084 -5.980 -9.844 1.00 0.00 O ATOM 94 CB ARG A 7 -3.224 -8.356 -7.527 1.00 0.00 C ATOM 95 CG ARG A 7 -3.681 -8.882 -6.162 1.00 0.00 C ATOM 96 CD ARG A 7 -2.552 -8.896 -5.127 1.00 0.00 C ATOM 97 NE ARG A 7 -2.274 -7.559 -4.598 1.00 0.00 N ATOM 98 CZ ARG A 7 -1.148 -7.204 -3.975 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.166 -8.080 -3.781 1.00 0.00 N ATOM 100 NH2 ARG A 7 -0.997 -5.958 -3.538 1.00 0.00 N ATOM 0 H ARG A 7 -4.831 -6.127 -8.343 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.356 -6.518 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.961 -8.647 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.288 -8.848 -7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.499 -8.263 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.074 -9.892 -6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.821 -9.561 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.648 -9.301 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.994 -6.846 -4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.267 -9.040 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.688 -7.792 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.741 -5.274 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.137 -5.685 -3.062 1.00 0.00 H new ATOM 114 N GLY A 8 -1.100 -6.756 -9.116 1.00 0.00 N ATOM 115 CA GLY A 8 -0.402 -6.532 -10.373 1.00 0.00 C ATOM 116 C GLY A 8 -0.207 -5.050 -10.691 1.00 0.00 C ATOM 117 O GLY A 8 0.074 -4.701 -11.837 1.00 0.00 O ATOM 0 H GLY A 8 -0.509 -7.133 -8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.571 -7.021 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.962 -7.001 -11.182 1.00 0.00 H new ATOM 121 N LEU A 9 -0.355 -4.168 -9.695 1.00 0.00 N ATOM 122 CA LEU A 9 -0.236 -2.732 -9.903 1.00 0.00 C ATOM 123 C LEU A 9 1.148 -2.365 -10.438 1.00 0.00 C ATOM 124 O LEU A 9 1.285 -1.375 -11.152 1.00 0.00 O ATOM 125 CB LEU A 9 -0.501 -2.017 -8.576 1.00 0.00 C ATOM 126 CG LEU A 9 -1.932 -2.258 -8.075 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.096 -1.662 -6.682 1.00 0.00 C ATOM 128 CD2 LEU A 9 -2.950 -1.591 -9.001 1.00 0.00 C ATOM 0 H LEU A 9 -0.559 -4.434 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.969 -2.418 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.210 -2.366 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.335 -0.947 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.106 -3.334 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.113 -1.835 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.390 -2.134 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.903 -0.590 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.957 -1.775 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.765 -0.517 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.855 -2.005 -10.005 1.00 0.00 H new ATOM 140 N CYS A 10 2.171 -3.153 -10.098 1.00 0.00 N ATOM 141 CA CYS A 10 3.539 -2.916 -10.540 1.00 0.00 C ATOM 142 C CYS A 10 3.789 -3.452 -11.955 1.00 0.00 C ATOM 143 O CYS A 10 4.926 -3.429 -12.425 1.00 0.00 O ATOM 144 CB CYS A 10 4.510 -3.542 -9.531 1.00 0.00 C ATOM 145 SG CYS A 10 4.485 -2.771 -7.890 1.00 0.00 S ATOM 0 H CYS A 10 2.068 -3.977 -9.505 1.00 0.00 H new ATOM 0 HA CYS A 10 3.706 -1.840 -10.585 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.273 -4.601 -9.425 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.522 -3.481 -9.932 1.00 0.00 H new ATOM 150 N VAL A 11 2.743 -3.934 -12.637 1.00 0.00 N ATOM 151 CA VAL A 11 2.872 -4.520 -13.969 1.00 0.00 C ATOM 152 C VAL A 11 1.991 -3.802 -14.998 1.00 0.00 C ATOM 153 O VAL A 11 2.196 -3.974 -16.198 1.00 0.00 O ATOM 154 CB VAL A 11 2.522 -6.014 -13.885 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.765 -6.733 -15.211 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.387 -6.702 -12.830 1.00 0.00 C ATOM 0 H VAL A 11 1.788 -3.927 -12.279 1.00 0.00 H new ATOM 0 HA VAL A 11 3.900 -4.401 -14.310 1.00 0.00 H new ATOM 0 HB VAL A 11 1.464 -6.071 -13.627 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.505 -7.786 -15.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.148 -6.282 -15.988 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.816 -6.644 -15.486 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.129 -7.760 -12.781 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.439 -6.597 -13.097 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.212 -6.240 -11.858 1.00 0.00 H new ATOM 166 N THR A 12 1.018 -3.003 -14.552 1.00 0.00 N ATOM 167 CA THR A 12 0.089 -2.334 -15.462 1.00 0.00 C ATOM 168 C THR A 12 0.085 -0.816 -15.290 1.00 0.00 C ATOM 169 O THR A 12 -0.369 -0.095 -16.180 1.00 0.00 O ATOM 170 CB THR A 12 -1.310 -2.922 -15.260 1.00 0.00 C ATOM 171 OG1 THR A 12 -2.170 -2.484 -16.290 1.00 0.00 O ATOM 172 CG2 THR A 12 -1.908 -2.526 -13.907 1.00 0.00 C ATOM 0 H THR A 12 0.854 -2.805 -13.565 1.00 0.00 H new ATOM 0 HA THR A 12 0.421 -2.513 -16.485 1.00 0.00 H new ATOM 0 HB THR A 12 -1.212 -4.007 -15.285 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.952 -1.558 -16.527 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.901 -2.965 -13.806 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.266 -2.891 -13.105 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.983 -1.440 -13.846 1.00 0.00 H new ATOM 180 N SER A 13 0.585 -0.323 -14.154 1.00 0.00 N ATOM 181 CA SER A 13 0.617 1.104 -13.860 1.00 0.00 C ATOM 182 C SER A 13 1.921 1.539 -13.195 1.00 0.00 C ATOM 183 O SER A 13 2.235 2.728 -13.194 1.00 0.00 O ATOM 184 CB SER A 13 -0.543 1.408 -12.921 1.00 0.00 C ATOM 185 OG SER A 13 -1.769 1.347 -13.621 1.00 0.00 O ATOM 0 H SER A 13 0.978 -0.906 -13.415 1.00 0.00 H new ATOM 0 HA SER A 13 0.539 1.651 -14.800 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.550 0.694 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.415 2.398 -12.483 1.00 0.00 H new ATOM 0 HG SER A 13 -2.507 1.543 -13.006 1.00 0.00 H new ATOM 191 N GLY A 14 2.676 0.593 -12.633 1.00 0.00 N ATOM 192 CA GLY A 14 3.960 0.865 -12.003 1.00 0.00 C ATOM 193 C GLY A 14 3.809 1.132 -10.508 1.00 0.00 C ATOM 194 O GLY A 14 2.711 1.057 -9.954 1.00 0.00 O ATOM 0 H GLY A 14 2.407 -0.390 -12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.627 0.017 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.425 1.727 -12.482 1.00 0.00 H new ATOM 198 N LEU A 15 4.929 1.444 -9.849 1.00 0.00 N ATOM 199 CA LEU A 15 4.973 1.663 -8.410 1.00 0.00 C ATOM 200 C LEU A 15 4.035 2.788 -7.978 1.00 0.00 C ATOM 201 O LEU A 15 3.553 2.788 -6.849 1.00 0.00 O ATOM 202 CB LEU A 15 6.424 1.990 -8.035 1.00 0.00 C ATOM 203 CG LEU A 15 6.582 2.382 -6.562 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.156 1.247 -5.628 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.046 2.710 -6.285 1.00 0.00 C ATOM 0 H LEU A 15 5.834 1.551 -10.307 1.00 0.00 H new ATOM 0 HA LEU A 15 4.634 0.765 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.053 1.125 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.782 2.805 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 15 5.944 3.246 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.282 1.562 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.109 1.001 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.773 0.369 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.164 2.990 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.661 1.836 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.360 3.539 -6.920 1.00 0.00 H new ATOM 217 N THR A 16 3.766 3.748 -8.868 1.00 0.00 N ATOM 218 CA THR A 16 2.919 4.887 -8.540 1.00 0.00 C ATOM 219 C THR A 16 1.507 4.439 -8.175 1.00 0.00 C ATOM 220 O THR A 16 0.875 5.053 -7.317 1.00 0.00 O ATOM 221 CB THR A 16 2.877 5.851 -9.730 1.00 0.00 C ATOM 222 OG1 THR A 16 4.185 6.133 -10.168 1.00 0.00 O ATOM 223 CG2 THR A 16 2.187 7.162 -9.348 1.00 0.00 C ATOM 0 H THR A 16 4.126 3.754 -9.822 1.00 0.00 H new ATOM 0 HA THR A 16 3.341 5.394 -7.673 1.00 0.00 H new ATOM 0 HB THR A 16 2.312 5.372 -10.530 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.149 6.748 -10.930 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.170 7.829 -10.210 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.165 6.956 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.733 7.637 -8.533 1.00 0.00 H new ATOM 231 N ALA A 17 0.999 3.374 -8.804 1.00 0.00 N ATOM 232 CA ALA A 17 -0.336 2.886 -8.498 1.00 0.00 C ATOM 233 C ALA A 17 -0.320 1.988 -7.265 1.00 0.00 C ATOM 234 O ALA A 17 -1.313 1.902 -6.548 1.00 0.00 O ATOM 235 CB ALA A 17 -0.888 2.142 -9.709 1.00 0.00 C ATOM 0 H ALA A 17 1.492 2.842 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.984 3.733 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.889 1.774 -9.485 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.933 2.819 -10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.237 1.301 -9.947 1.00 0.00 H new ATOM 241 N CYS A 18 0.808 1.320 -7.008 1.00 0.00 N ATOM 242 CA CYS A 18 0.961 0.498 -5.822 1.00 0.00 C ATOM 243 C CYS A 18 1.064 1.399 -4.589 1.00 0.00 C ATOM 244 O CYS A 18 0.642 1.022 -3.498 1.00 0.00 O ATOM 245 CB CYS A 18 2.206 -0.379 -6.000 1.00 0.00 C ATOM 246 SG CYS A 18 2.629 -1.423 -4.581 1.00 0.00 S ATOM 0 H CYS A 18 1.628 1.338 -7.614 1.00 0.00 H new ATOM 0 HA CYS A 18 0.098 -0.152 -5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.057 -1.019 -6.869 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.056 0.267 -6.221 1.00 0.00 H new ATOM 251 N ARG A 19 1.626 2.602 -4.764 1.00 0.00 N ATOM 252 CA ARG A 19 1.785 3.563 -3.682 1.00 0.00 C ATOM 253 C ARG A 19 0.472 4.286 -3.400 1.00 0.00 C ATOM 254 O ARG A 19 0.191 4.625 -2.254 1.00 0.00 O ATOM 255 CB ARG A 19 2.893 4.539 -4.081 1.00 0.00 C ATOM 256 CG ARG A 19 3.473 5.254 -2.860 1.00 0.00 C ATOM 257 CD ARG A 19 4.601 6.181 -3.312 1.00 0.00 C ATOM 258 NE ARG A 19 5.370 6.690 -2.172 1.00 0.00 N ATOM 259 CZ ARG A 19 6.098 7.810 -2.183 1.00 0.00 C ATOM 260 NH1 ARG A 19 6.158 8.577 -3.268 1.00 0.00 N ATOM 261 NH2 ARG A 19 6.775 8.169 -1.097 1.00 0.00 N ATOM 0 H ARG A 19 1.981 2.930 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 19 2.062 3.054 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.686 4.000 -4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.497 5.275 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.695 5.827 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.850 4.526 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.265 5.644 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.183 7.017 -3.872 1.00 0.00 H new ATOM 0 HE ARG A 19 5.347 6.149 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.643 8.313 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.719 9.429 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.738 7.590 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.332 9.024 -1.102 1.00 0.00 H new ATOM 275 N ASN A 20 -0.329 4.516 -4.440 1.00 0.00 N ATOM 276 CA ASN A 20 -1.623 5.161 -4.296 1.00 0.00 C ATOM 277 C ASN A 20 -2.672 4.189 -3.752 1.00 0.00 C ATOM 278 O ASN A 20 -3.676 4.623 -3.188 1.00 0.00 O ATOM 279 CB ASN A 20 -2.059 5.719 -5.654 1.00 0.00 C ATOM 280 CG ASN A 20 -1.155 6.841 -6.150 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.317 7.357 -5.417 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.322 7.228 -7.410 1.00 0.00 N ATOM 0 H ASN A 20 -0.096 4.260 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.532 5.976 -3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.065 4.913 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.081 6.089 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.744 7.975 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.028 6.778 -7.992 1.00 0.00 H new ATOM 289 N HIS A 21 -2.455 2.880 -3.916 1.00 0.00 N ATOM 290 CA HIS A 21 -3.380 1.870 -3.424 1.00 0.00 C ATOM 291 C HIS A 21 -3.115 1.548 -1.956 1.00 0.00 C ATOM 292 O HIS A 21 -4.046 1.241 -1.213 1.00 0.00 O ATOM 293 CB HIS A 21 -3.234 0.615 -4.283 1.00 0.00 C ATOM 294 CG HIS A 21 -4.176 -0.491 -3.892 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.533 -0.535 -4.125 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.837 -1.645 -3.242 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.989 -1.701 -3.633 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.994 -2.417 -3.081 1.00 0.00 N ATOM 0 H HIS A 21 -1.637 2.499 -4.391 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.399 2.251 -3.493 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.406 0.877 -5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.209 0.252 -4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.846 -1.915 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.020 -2.020 -3.676 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.067 -3.332 -2.637 1.00 0.00 H new ATOM 306 N CYS A 22 -1.850 1.618 -1.532 1.00 0.00 N ATOM 307 CA CYS A 22 -1.498 1.409 -0.132 1.00 0.00 C ATOM 308 C CYS A 22 -1.810 2.644 0.712 1.00 0.00 C ATOM 309 O CYS A 22 -1.979 2.522 1.924 1.00 0.00 O ATOM 310 CB CYS A 22 -0.015 1.068 -0.038 1.00 0.00 C ATOM 311 SG CYS A 22 0.436 -0.547 -0.716 1.00 0.00 S ATOM 0 H CYS A 22 -1.056 1.818 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.095 0.585 0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.554 1.837 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.286 1.104 1.009 1.00 0.00 H new ATOM 316 N ARG A 23 -1.891 3.827 0.090 1.00 0.00 N ATOM 317 CA ARG A 23 -2.216 5.068 0.787 1.00 0.00 C ATOM 318 C ARG A 23 -3.722 5.319 0.827 1.00 0.00 C ATOM 319 O ARG A 23 -4.165 6.375 1.280 1.00 0.00 O ATOM 320 CB ARG A 23 -1.456 6.240 0.164 1.00 0.00 C ATOM 321 CG ARG A 23 0.011 6.190 0.599 1.00 0.00 C ATOM 322 CD ARG A 23 0.772 7.381 0.013 1.00 0.00 C ATOM 323 NE ARG A 23 2.093 7.510 0.639 1.00 0.00 N ATOM 324 CZ ARG A 23 3.010 8.408 0.277 1.00 0.00 C ATOM 325 NH1 ARG A 23 2.781 9.248 -0.730 1.00 0.00 N ATOM 326 NH2 ARG A 23 4.166 8.471 0.929 1.00 0.00 N ATOM 0 H ARG A 23 -1.732 3.946 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.894 4.971 1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.525 6.195 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.906 7.184 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.077 6.206 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.466 5.257 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.885 7.253 -1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.200 8.296 0.167 1.00 0.00 H new ATOM 0 HE ARG A 23 2.325 6.872 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.896 9.210 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.491 9.930 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.350 7.834 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.870 9.157 0.655 1.00 0.00 H new ATOM 340 N SER A 24 -4.509 4.351 0.356 1.00 0.00 N ATOM 341 CA SER A 24 -5.961 4.379 0.440 1.00 0.00 C ATOM 342 C SER A 24 -6.434 3.076 1.065 1.00 0.00 C ATOM 343 O SER A 24 -5.666 2.116 1.162 1.00 0.00 O ATOM 344 CB SER A 24 -6.575 4.598 -0.941 1.00 0.00 C ATOM 345 OG SER A 24 -6.250 3.523 -1.796 1.00 0.00 O ATOM 0 H SER A 24 -4.145 3.515 -0.101 1.00 0.00 H new ATOM 0 HA SER A 24 -6.285 5.211 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.658 4.689 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.209 5.533 -1.365 1.00 0.00 H new ATOM 0 HG SER A 24 -5.451 3.749 -2.317 1.00 0.00 H new ATOM 351 N CYS A 25 -7.694 3.021 1.501 1.00 0.00 N ATOM 352 CA CYS A 25 -8.199 1.819 2.136 1.00 0.00 C ATOM 353 C CYS A 25 -8.394 0.718 1.097 1.00 0.00 C ATOM 354 O CYS A 25 -8.994 0.941 0.048 1.00 0.00 O ATOM 355 CB CYS A 25 -9.485 2.124 2.903 1.00 0.00 C ATOM 356 SG CYS A 25 -9.286 3.449 4.120 1.00 0.00 S ATOM 0 H CYS A 25 -8.367 3.784 1.425 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.469 1.458 2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.266 2.402 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.822 1.220 3.410 1.00 0.00 H new ATOM 361 N HIS A 26 -7.876 -0.476 1.403 1.00 0.00 N ATOM 362 CA HIS A 26 -7.941 -1.631 0.525 1.00 0.00 C ATOM 363 C HIS A 26 -8.151 -2.889 1.361 1.00 0.00 C ATOM 364 O HIS A 26 -8.005 -2.855 2.581 1.00 0.00 O ATOM 365 CB HIS A 26 -6.636 -1.703 -0.262 1.00 0.00 C ATOM 366 CG HIS A 26 -5.432 -1.670 0.643 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.680 -0.551 0.950 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.904 -2.732 1.320 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.724 -0.923 1.819 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.843 -2.244 2.056 1.00 0.00 N ATOM 0 H HIS A 26 -7.394 -0.662 2.283 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.775 -1.547 -0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.620 -2.617 -0.855 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.587 -0.869 -0.962 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.825 0.389 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.249 -3.755 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.982 -0.270 2.255 1.00 0.00 H new ATOM 379 N ARG A 27 -8.496 -4.005 0.716 1.00 0.00 N ATOM 380 CA ARG A 27 -8.760 -5.249 1.427 1.00 0.00 C ATOM 381 C ARG A 27 -7.439 -5.904 1.832 1.00 0.00 C ATOM 382 O ARG A 27 -6.590 -6.169 0.983 1.00 0.00 O ATOM 383 CB ARG A 27 -9.622 -6.156 0.543 1.00 0.00 C ATOM 384 CG ARG A 27 -10.650 -6.954 1.346 1.00 0.00 C ATOM 385 CD ARG A 27 -9.999 -7.863 2.390 1.00 0.00 C ATOM 386 NE ARG A 27 -11.005 -8.663 3.089 1.00 0.00 N ATOM 387 CZ ARG A 27 -10.736 -9.785 3.763 1.00 0.00 C ATOM 388 NH1 ARG A 27 -9.494 -10.256 3.836 1.00 0.00 N ATOM 389 NH2 ARG A 27 -11.712 -10.448 4.371 1.00 0.00 N ATOM 0 H ARG A 27 -8.598 -4.069 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.314 -5.058 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.139 -5.548 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.977 -6.846 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.332 -6.265 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.249 -7.559 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.278 -8.521 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.446 -7.259 3.109 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.973 -8.344 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.732 -9.759 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.303 -11.114 4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.670 -10.101 4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.504 -11.304 4.885 1.00 0.00 H new ATOM 403 N GLY A 28 -7.272 -6.164 3.131 1.00 0.00 N ATOM 404 CA GLY A 28 -6.104 -6.839 3.677 1.00 0.00 C ATOM 405 C GLY A 28 -6.311 -8.349 3.720 1.00 0.00 C ATOM 406 O GLY A 28 -7.167 -8.883 3.018 1.00 0.00 O ATOM 0 H GLY A 28 -7.958 -5.905 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.229 -6.606 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.903 -6.468 4.682 1.00 0.00 H new ATOM 410 N ASP A 29 -5.526 -9.043 4.547 1.00 0.00 N ATOM 411 CA ASP A 29 -5.590 -10.494 4.651 1.00 0.00 C ATOM 412 C ASP A 29 -6.663 -10.967 5.635 1.00 0.00 C ATOM 413 O ASP A 29 -7.016 -12.145 5.633 1.00 0.00 O ATOM 414 CB ASP A 29 -4.221 -11.022 5.076 1.00 0.00 C ATOM 415 CG ASP A 29 -3.156 -10.714 4.031 1.00 0.00 C ATOM 416 OD1 ASP A 29 -3.151 -11.406 2.989 1.00 0.00 O ATOM 417 OD2 ASP A 29 -2.348 -9.787 4.279 1.00 0.00 O ATOM 0 H ASP A 29 -4.832 -8.613 5.159 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.865 -10.888 3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.937 -10.575 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.278 -12.099 5.233 1.00 0.00 H new ATOM 422 N VAL A 30 -7.182 -10.061 6.472 1.00 0.00 N ATOM 423 CA VAL A 30 -8.191 -10.401 7.473 1.00 0.00 C ATOM 424 C VAL A 30 -9.305 -9.353 7.539 1.00 0.00 C ATOM 425 O VAL A 30 -10.342 -9.581 8.163 1.00 0.00 O ATOM 426 CB VAL A 30 -7.481 -10.584 8.823 1.00 0.00 C ATOM 427 CG1 VAL A 30 -6.904 -9.265 9.332 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.428 -11.158 9.879 1.00 0.00 C ATOM 0 H VAL A 30 -6.914 -9.077 6.472 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.687 -11.332 7.197 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.666 -11.288 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.409 -9.430 10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.182 -8.881 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.709 -8.541 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.894 -11.275 10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.269 -10.480 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.796 -12.129 9.548 1.00 0.00 H new ATOM 438 N GLY A 31 -9.102 -8.200 6.897 1.00 0.00 N ATOM 439 CA GLY A 31 -10.073 -7.114 6.878 1.00 0.00 C ATOM 440 C GLY A 31 -9.492 -5.930 6.121 1.00 0.00 C ATOM 441 O GLY A 31 -8.342 -5.983 5.688 1.00 0.00 O ATOM 0 H GLY A 31 -8.251 -7.997 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.997 -7.445 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.326 -6.820 7.897 1.00 0.00 H new ATOM 445 N CYS A 32 -10.264 -4.859 5.944 1.00 0.00 N ATOM 446 CA CYS A 32 -9.775 -3.702 5.213 1.00 0.00 C ATOM 447 C CYS A 32 -8.818 -2.867 6.060 1.00 0.00 C ATOM 448 O CYS A 32 -9.029 -2.674 7.256 1.00 0.00 O ATOM 449 CB CYS A 32 -10.936 -2.869 4.680 1.00 0.00 C ATOM 450 SG CYS A 32 -11.847 -3.672 3.336 1.00 0.00 S ATOM 0 H CYS A 32 -11.218 -4.773 6.294 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.205 -4.061 4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.624 -2.655 5.498 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.553 -1.911 4.327 1.00 0.00 H new ATOM 455 N VAL A 33 -7.753 -2.372 5.418 1.00 0.00 N ATOM 456 CA VAL A 33 -6.711 -1.596 6.071 1.00 0.00 C ATOM 457 C VAL A 33 -6.177 -0.511 5.135 1.00 0.00 C ATOM 458 O VAL A 33 -6.476 -0.503 3.943 1.00 0.00 O ATOM 459 CB VAL A 33 -5.563 -2.516 6.512 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.035 -3.580 7.499 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.920 -3.210 5.311 1.00 0.00 C ATOM 0 H VAL A 33 -7.596 -2.505 4.419 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.142 -1.116 6.949 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.828 -1.878 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.193 -4.210 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.446 -3.097 8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.804 -4.194 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.111 -3.855 5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.668 -3.811 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.522 -2.460 4.628 1.00 0.00 H new ATOM 471 N ARG A 34 -5.380 0.403 5.693 1.00 0.00 N ATOM 472 CA ARG A 34 -4.693 1.452 4.950 1.00 0.00 C ATOM 473 C ARG A 34 -3.278 1.575 5.505 1.00 0.00 C ATOM 474 O ARG A 34 -3.070 1.289 6.681 1.00 0.00 O ATOM 475 CB ARG A 34 -5.470 2.766 5.059 1.00 0.00 C ATOM 476 CG ARG A 34 -5.643 3.200 6.519 1.00 0.00 C ATOM 477 CD ARG A 34 -6.461 4.488 6.595 1.00 0.00 C ATOM 478 NE ARG A 34 -6.713 4.875 7.988 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.418 5.951 8.347 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.950 6.755 7.431 1.00 0.00 N ATOM 481 NH2 ARG A 34 -7.594 6.229 9.635 1.00 0.00 N ATOM 0 H ARG A 34 -5.193 0.432 6.695 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.636 1.206 3.890 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.946 3.546 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.449 2.650 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.140 2.411 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.666 3.354 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.930 5.290 6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.409 4.351 6.076 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.327 4.287 8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.822 6.553 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.486 7.573 7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.191 5.621 10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.132 7.050 9.911 1.00 0.00 H new ATOM 495 N CYS A 35 -2.312 1.991 4.687 1.00 0.00 N ATOM 496 CA CYS A 35 -0.909 2.018 5.088 1.00 0.00 C ATOM 497 C CYS A 35 -0.263 3.374 4.791 1.00 0.00 C ATOM 498 O CYS A 35 -0.948 4.322 4.409 1.00 0.00 O ATOM 499 CB CYS A 35 -0.173 0.899 4.353 1.00 0.00 C ATOM 500 SG CYS A 35 -0.824 -0.780 4.571 1.00 0.00 S ATOM 0 H CYS A 35 -2.479 2.316 3.735 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.844 1.865 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.177 1.131 3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.868 0.906 4.677 1.00 0.00 H new ATOM 505 N SER A 36 1.060 3.461 4.973 1.00 0.00 N ATOM 506 CA SER A 36 1.800 4.716 4.857 1.00 0.00 C ATOM 507 C SER A 36 2.559 4.835 3.534 1.00 0.00 C ATOM 508 O SER A 36 2.661 5.928 2.977 1.00 0.00 O ATOM 509 CB SER A 36 2.781 4.798 6.026 1.00 0.00 C ATOM 510 OG SER A 36 3.379 6.075 6.062 1.00 0.00 O ATOM 0 H SER A 36 1.646 2.659 5.205 1.00 0.00 H new ATOM 0 HA SER A 36 1.085 5.539 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.260 4.604 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.548 4.030 5.923 1.00 0.00 H new ATOM 0 HG SER A 36 4.005 6.122 6.814 1.00 0.00 H new ATOM 516 N ASN A 37 3.094 3.726 3.024 1.00 0.00 N ATOM 517 CA ASN A 37 3.891 3.730 1.802 1.00 0.00 C ATOM 518 C ASN A 37 3.814 2.354 1.131 1.00 0.00 C ATOM 519 O ASN A 37 3.085 1.483 1.605 1.00 0.00 O ATOM 520 CB ASN A 37 5.334 4.104 2.170 1.00 0.00 C ATOM 521 CG ASN A 37 6.170 4.511 0.964 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.642 4.764 -0.114 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.484 4.580 1.138 1.00 0.00 N ATOM 0 H ASN A 37 2.987 2.804 3.446 1.00 0.00 H new ATOM 0 HA ASN A 37 3.509 4.461 1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.319 4.924 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.808 3.256 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.088 4.850 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.890 4.363 2.048 1.00 0.00 H new ATOM 530 N ALA A 38 4.553 2.145 0.037 1.00 0.00 N ATOM 531 CA ALA A 38 4.525 0.893 -0.701 1.00 0.00 C ATOM 532 C ALA A 38 5.825 0.646 -1.461 1.00 0.00 C ATOM 533 O ALA A 38 6.663 1.539 -1.591 1.00 0.00 O ATOM 534 CB ALA A 38 3.383 0.944 -1.708 1.00 0.00 C ATOM 0 H ALA A 38 5.185 2.843 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 38 4.391 0.084 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.351 0.010 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.439 1.084 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.541 1.775 -2.396 1.00 0.00 H new ATOM 540 N GLN A 39 5.974 -0.579 -1.963 1.00 0.00 N ATOM 541 CA GLN A 39 7.074 -0.972 -2.833 1.00 0.00 C ATOM 542 C GLN A 39 6.645 -2.159 -3.695 1.00 0.00 C ATOM 543 O GLN A 39 5.654 -2.824 -3.397 1.00 0.00 O ATOM 544 CB GLN A 39 8.315 -1.318 -2.005 1.00 0.00 C ATOM 545 CG GLN A 39 8.069 -2.516 -1.092 1.00 0.00 C ATOM 546 CD GLN A 39 9.356 -2.951 -0.401 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.884 -4.024 -0.674 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.873 -2.123 0.499 1.00 0.00 N ATOM 0 H GLN A 39 5.320 -1.338 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 39 7.331 -0.138 -3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.149 -1.535 -2.673 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.603 -0.456 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.319 -2.259 -0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.667 -3.345 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.409 -1.238 0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.734 -2.372 0.986 1.00 0.00 H new ATOM 557 N CYS A 40 7.396 -2.431 -4.764 1.00 0.00 N ATOM 558 CA CYS A 40 7.135 -3.576 -5.622 1.00 0.00 C ATOM 559 C CYS A 40 7.986 -4.759 -5.157 1.00 0.00 C ATOM 560 O CYS A 40 9.133 -4.577 -4.747 1.00 0.00 O ATOM 561 CB CYS A 40 7.396 -3.207 -7.083 1.00 0.00 C ATOM 562 SG CYS A 40 6.325 -1.896 -7.735 1.00 0.00 S ATOM 0 H CYS A 40 8.194 -1.866 -5.053 1.00 0.00 H new ATOM 0 HA CYS A 40 6.088 -3.871 -5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.435 -2.893 -7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.271 -4.099 -7.697 1.00 0.00 H new ATOM 567 N THR A 41 7.423 -5.967 -5.220 1.00 0.00 N ATOM 568 CA THR A 41 8.063 -7.179 -4.723 1.00 0.00 C ATOM 569 C THR A 41 7.865 -8.340 -5.694 1.00 0.00 C ATOM 570 O THR A 41 7.257 -8.180 -6.752 1.00 0.00 O ATOM 571 CB THR A 41 7.479 -7.545 -3.355 1.00 0.00 C ATOM 572 OG1 THR A 41 6.088 -7.746 -3.469 1.00 0.00 O ATOM 573 CG2 THR A 41 7.738 -6.436 -2.334 1.00 0.00 C ATOM 0 H THR A 41 6.500 -6.129 -5.622 1.00 0.00 H new ATOM 0 HA THR A 41 9.132 -6.990 -4.628 1.00 0.00 H new ATOM 0 HB THR A 41 7.964 -8.459 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.799 -8.415 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.313 -6.721 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.812 -6.284 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.274 -5.511 -2.676 1.00 0.00 H new ATOM 581 N GLY A 42 8.384 -9.515 -5.328 1.00 0.00 N ATOM 582 CA GLY A 42 8.271 -10.713 -6.147 1.00 0.00 C ATOM 583 C GLY A 42 9.241 -10.685 -7.322 1.00 0.00 C ATOM 584 O GLY A 42 10.036 -9.757 -7.463 1.00 0.00 O ATOM 0 H GLY A 42 8.893 -9.657 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.467 -11.593 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.251 -10.805 -6.519 1.00 0.00 H new ATOM 588 N PHE A 43 9.176 -11.709 -8.173 1.00 0.00 N ATOM 589 CA PHE A 43 10.047 -11.801 -9.333 1.00 0.00 C ATOM 590 C PHE A 43 9.794 -10.623 -10.267 1.00 0.00 C ATOM 591 O PHE A 43 8.644 -10.286 -10.547 1.00 0.00 O ATOM 592 CB PHE A 43 9.811 -13.139 -10.033 1.00 0.00 C ATOM 593 CG PHE A 43 10.709 -13.388 -11.225 1.00 0.00 C ATOM 594 CD1 PHE A 43 12.102 -13.425 -11.061 1.00 0.00 C ATOM 595 CD2 PHE A 43 10.152 -13.591 -12.497 1.00 0.00 C ATOM 596 CE1 PHE A 43 12.933 -13.661 -12.165 1.00 0.00 C ATOM 597 CE2 PHE A 43 10.983 -13.839 -13.598 1.00 0.00 C ATOM 598 CZ PHE A 43 12.375 -13.871 -13.433 1.00 0.00 C ATOM 0 H PHE A 43 8.524 -12.487 -8.075 1.00 0.00 H new ATOM 0 HA PHE A 43 11.091 -11.756 -9.023 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.955 -13.943 -9.311 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.772 -13.186 -10.360 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.534 -13.272 -10.083 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.081 -13.556 -12.628 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.005 -13.681 -12.038 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.551 -14.005 -14.574 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.016 -14.057 -14.282 1.00 0.00 H new ATOM 608 N LEU A 44 10.875 -9.998 -10.742 1.00 0.00 N ATOM 609 CA LEU A 44 10.824 -8.822 -11.607 1.00 0.00 C ATOM 610 C LEU A 44 9.925 -7.705 -11.058 1.00 0.00 C ATOM 611 O LEU A 44 9.493 -6.837 -11.819 1.00 0.00 O ATOM 612 CB LEU A 44 10.450 -9.226 -13.038 1.00 0.00 C ATOM 613 CG LEU A 44 11.428 -10.239 -13.645 1.00 0.00 C ATOM 614 CD1 LEU A 44 10.947 -10.634 -15.040 1.00 0.00 C ATOM 615 CD2 LEU A 44 12.841 -9.661 -13.762 1.00 0.00 C ATOM 0 H LEU A 44 11.825 -10.302 -10.531 1.00 0.00 H new ATOM 0 HA LEU A 44 11.825 -8.392 -11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.446 -9.651 -13.040 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.420 -8.336 -13.666 1.00 0.00 H new ATOM 0 HG LEU A 44 11.461 -11.106 -12.985 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.641 -11.354 -15.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.956 -11.082 -14.970 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.901 -9.748 -15.673 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.505 -10.408 -14.196 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.821 -8.778 -14.401 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.204 -9.384 -12.772 1.00 0.00 H new ATOM 627 N GLY A 45 9.636 -7.710 -9.753 1.00 0.00 N ATOM 628 CA GLY A 45 8.820 -6.675 -9.133 1.00 0.00 C ATOM 629 C GLY A 45 7.356 -6.752 -9.566 1.00 0.00 C ATOM 630 O GLY A 45 6.639 -5.757 -9.482 1.00 0.00 O ATOM 0 H GLY A 45 9.961 -8.428 -9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.881 -6.768 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.222 -5.695 -9.392 1.00 0.00 H new ATOM 634 N THR A 46 6.902 -7.920 -10.028 1.00 0.00 N ATOM 635 CA THR A 46 5.559 -8.086 -10.571 1.00 0.00 C ATOM 636 C THR A 46 4.466 -8.127 -9.500 1.00 0.00 C ATOM 637 O THR A 46 3.313 -8.423 -9.819 1.00 0.00 O ATOM 638 CB THR A 46 5.488 -9.332 -11.460 1.00 0.00 C ATOM 639 OG1 THR A 46 5.894 -10.472 -10.735 1.00 0.00 O ATOM 640 CG2 THR A 46 6.378 -9.171 -12.694 1.00 0.00 C ATOM 0 H THR A 46 7.458 -8.775 -10.034 1.00 0.00 H new ATOM 0 HA THR A 46 5.363 -7.198 -11.172 1.00 0.00 H new ATOM 0 HB THR A 46 4.455 -9.456 -11.784 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.873 -10.517 -10.717 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.311 -10.068 -13.310 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.046 -8.308 -13.272 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.411 -9.022 -12.380 1.00 0.00 H new ATOM 648 N THR A 47 4.796 -7.836 -8.238 1.00 0.00 N ATOM 649 CA THR A 47 3.832 -7.842 -7.143 1.00 0.00 C ATOM 650 C THR A 47 3.876 -6.509 -6.398 1.00 0.00 C ATOM 651 O THR A 47 4.887 -5.813 -6.431 1.00 0.00 O ATOM 652 CB THR A 47 4.120 -9.028 -6.214 1.00 0.00 C ATOM 653 OG1 THR A 47 4.145 -10.223 -6.969 1.00 0.00 O ATOM 654 CG2 THR A 47 3.047 -9.178 -5.136 1.00 0.00 C ATOM 0 H THR A 47 5.743 -7.589 -7.950 1.00 0.00 H new ATOM 0 HA THR A 47 2.823 -7.961 -7.537 1.00 0.00 H new ATOM 0 HB THR A 47 5.081 -8.840 -5.735 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.331 -10.981 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.288 -10.029 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.009 -8.272 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.078 -9.340 -5.607 1.00 0.00 H new ATOM 662 N CYS A 48 2.779 -6.148 -5.725 1.00 0.00 N ATOM 663 CA CYS A 48 2.683 -4.915 -4.953 1.00 0.00 C ATOM 664 C CYS A 48 2.581 -5.234 -3.461 1.00 0.00 C ATOM 665 O CYS A 48 1.878 -6.168 -3.078 1.00 0.00 O ATOM 666 CB CYS A 48 1.476 -4.109 -5.436 1.00 0.00 C ATOM 667 SG CYS A 48 1.043 -2.688 -4.395 1.00 0.00 S ATOM 0 H CYS A 48 1.929 -6.711 -5.703 1.00 0.00 H new ATOM 0 HA CYS A 48 3.581 -4.315 -5.101 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.676 -3.753 -6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.614 -4.773 -5.496 1.00 0.00 H new ATOM 672 N THR A 49 3.281 -4.460 -2.627 1.00 0.00 N ATOM 673 CA THR A 49 3.287 -4.652 -1.181 1.00 0.00 C ATOM 674 C THR A 49 3.284 -3.299 -0.474 1.00 0.00 C ATOM 675 O THR A 49 3.871 -2.335 -0.967 1.00 0.00 O ATOM 676 CB THR A 49 4.520 -5.472 -0.780 1.00 0.00 C ATOM 677 OG1 THR A 49 4.444 -6.754 -1.363 1.00 0.00 O ATOM 678 CG2 THR A 49 4.611 -5.654 0.734 1.00 0.00 C ATOM 0 H THR A 49 3.860 -3.681 -2.940 1.00 0.00 H new ATOM 0 HA THR A 49 2.391 -5.195 -0.881 1.00 0.00 H new ATOM 0 HB THR A 49 5.398 -4.929 -1.128 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.078 -6.813 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.497 -6.240 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.678 -4.678 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.723 -6.174 1.092 1.00 0.00 H new ATOM 686 N CYS A 50 2.616 -3.223 0.685 1.00 0.00 N ATOM 687 CA CYS A 50 2.511 -1.990 1.447 1.00 0.00 C ATOM 688 C CYS A 50 3.528 -1.951 2.590 1.00 0.00 C ATOM 689 O CYS A 50 4.096 -2.977 2.967 1.00 0.00 O ATOM 690 CB CYS A 50 1.081 -1.821 1.964 1.00 0.00 C ATOM 691 SG CYS A 50 -0.207 -1.871 0.693 1.00 0.00 S ATOM 0 H CYS A 50 2.138 -4.016 1.112 1.00 0.00 H new ATOM 0 HA CYS A 50 2.743 -1.153 0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.880 -2.605 2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.012 -0.870 2.492 1.00 0.00 H new ATOM 696 N ILE A 51 3.755 -0.754 3.137 1.00 0.00 N ATOM 697 CA ILE A 51 4.724 -0.519 4.200 1.00 0.00 C ATOM 698 C ILE A 51 4.003 -0.141 5.491 1.00 0.00 C ATOM 699 O ILE A 51 2.989 0.558 5.452 1.00 0.00 O ATOM 700 CB ILE A 51 5.687 0.593 3.768 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.416 0.249 2.462 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.709 0.892 4.863 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.281 -1.007 2.569 1.00 0.00 C ATOM 0 H ILE A 51 3.261 0.090 2.846 1.00 0.00 H new ATOM 0 HA ILE A 51 5.295 -1.429 4.385 1.00 0.00 H new ATOM 0 HB ILE A 51 5.079 1.481 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.681 0.110 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.044 1.091 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.379 1.684 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.191 1.212 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.288 -0.007 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.769 -1.195 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.038 -0.863 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.654 -1.859 2.830 1.00 0.00 H new ATOM 715 N ASN A 52 4.520 -0.601 6.632 1.00 0.00 N ATOM 716 CA ASN A 52 3.918 -0.345 7.932 1.00 0.00 C ATOM 717 C ASN A 52 4.089 1.123 8.339 1.00 0.00 C ATOM 718 O ASN A 52 5.009 1.791 7.868 1.00 0.00 O ATOM 719 CB ASN A 52 4.558 -1.278 8.967 1.00 0.00 C ATOM 720 CG ASN A 52 4.259 -2.749 8.698 1.00 0.00 C ATOM 721 OD1 ASN A 52 3.476 -3.090 7.816 1.00 0.00 O ATOM 722 ND2 ASN A 52 4.887 -3.632 9.466 1.00 0.00 N ATOM 0 H ASN A 52 5.370 -1.163 6.675 1.00 0.00 H new ATOM 0 HA ASN A 52 2.847 -0.542 7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.637 -1.125 8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.197 -1.014 9.961 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.725 -4.630 9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.531 -3.312 10.189 1.00 0.00 H new ATOM 729 N PRO A 53 3.218 1.638 9.216 1.00 0.00 N ATOM 730 CA PRO A 53 2.088 0.940 9.811 1.00 0.00 C ATOM 731 C PRO A 53 0.953 0.760 8.806 1.00 0.00 C ATOM 732 O PRO A 53 0.915 1.434 7.775 1.00 0.00 O ATOM 733 CB PRO A 53 1.647 1.828 10.974 1.00 0.00 C ATOM 734 CG PRO A 53 1.986 3.232 10.468 1.00 0.00 C ATOM 735 CD PRO A 53 3.288 3.004 9.702 1.00 0.00 C ATOM 0 HA PRO A 53 2.360 -0.064 10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.583 1.719 11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.182 1.588 11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.202 3.632 9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.116 3.938 11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.387 3.709 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.154 3.147 10.349 1.00 0.00 H new ATOM 743 N CYS A 54 0.031 -0.157 9.116 1.00 0.00 N ATOM 744 CA CYS A 54 -1.132 -0.437 8.293 1.00 0.00 C ATOM 745 C CYS A 54 -2.376 -0.567 9.180 1.00 0.00 C ATOM 746 O CYS A 54 -2.911 -1.665 9.334 1.00 0.00 O ATOM 747 CB CYS A 54 -0.907 -1.715 7.482 1.00 0.00 C ATOM 748 SG CYS A 54 0.261 -1.589 6.102 1.00 0.00 S ATOM 0 H CYS A 54 0.080 -0.729 9.959 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.287 0.387 7.596 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.555 -2.493 8.159 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.868 -2.045 7.089 1.00 0.00 H new ATOM 753 N PRO A 55 -2.847 0.540 9.774 1.00 0.00 N ATOM 754 CA PRO A 55 -4.035 0.554 10.615 1.00 0.00 C ATOM 755 C PRO A 55 -5.280 0.181 9.813 1.00 0.00 C ATOM 756 O PRO A 55 -5.287 0.239 8.583 1.00 0.00 O ATOM 757 CB PRO A 55 -4.119 1.977 11.166 1.00 0.00 C ATOM 758 CG PRO A 55 -3.398 2.807 10.104 1.00 0.00 C ATOM 759 CD PRO A 55 -2.278 1.869 9.666 1.00 0.00 C ATOM 0 HA PRO A 55 -3.976 -0.180 11.419 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.153 2.298 11.295 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.635 2.061 12.139 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.057 3.069 9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.011 3.741 10.511 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.960 2.082 8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.400 1.977 10.303 1.00 0.00 H new ATOM 767 N ARG A 56 -6.346 -0.206 10.518 1.00 0.00 N ATOM 768 CA ARG A 56 -7.583 -0.649 9.893 1.00 0.00 C ATOM 769 C ARG A 56 -8.404 0.527 9.372 1.00 0.00 C ATOM 770 O ARG A 56 -8.196 1.667 9.784 1.00 0.00 O ATOM 771 CB ARG A 56 -8.397 -1.505 10.867 1.00 0.00 C ATOM 772 CG ARG A 56 -7.600 -2.746 11.288 1.00 0.00 C ATOM 773 CD ARG A 56 -8.485 -3.659 12.134 1.00 0.00 C ATOM 774 NE ARG A 56 -7.759 -4.861 12.554 1.00 0.00 N ATOM 775 CZ ARG A 56 -8.333 -5.912 13.150 1.00 0.00 C ATOM 776 NH1 ARG A 56 -9.638 -5.922 13.403 1.00 0.00 N ATOM 777 NH2 ARG A 56 -7.596 -6.965 13.494 1.00 0.00 N ATOM 0 H ARG A 56 -6.370 -0.219 11.538 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.322 -1.263 9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.657 -0.917 11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.333 -1.809 10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.246 -3.280 10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.718 -2.449 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.836 -3.117 13.012 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.368 -3.945 11.562 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.754 -4.898 12.381 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.214 -5.122 13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.063 -6.730 13.858 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.594 -6.970 13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.033 -7.767 13.949 1.00 0.00 H new ATOM 791 N CYS A 57 -9.336 0.235 8.464 1.00 0.00 N ATOM 792 CA CYS A 57 -10.207 1.230 7.858 1.00 0.00 C ATOM 793 C CYS A 57 -11.590 0.635 7.607 1.00 0.00 C ATOM 794 O CYS A 57 -11.662 -0.377 6.874 1.00 0.00 O ATOM 795 CB CYS A 57 -9.567 1.710 6.553 1.00 0.00 C ATOM 796 SG CYS A 57 -10.548 2.923 5.630 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.565 1.198 8.151 1.00 0.00 O ATOM 0 H CYS A 57 -9.506 -0.713 8.128 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.331 2.080 8.529 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.594 2.147 6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.387 0.846 5.913 1.00 0.00 H new TER 802 CYS A 57