USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 11 ASN : amide:sc= 0.823 K(o=0.16,f=-2.1) USER MOD Set 1.2: A 43 HIS : no HD1:sc= -0.662 X(o=0.16,f=-0.25) USER MOD Set 2.1: A 14 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 30 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.182) USER MOD Single : A 1 VAL N :NH3+ -118:sc= -0.173 (180deg=-0.484) USER MOD Single : A 5 TYR OH : rot 117:sc= 1.22 USER MOD Single : A 8 GLN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 12 CYS SG : rot 47:sc= 0.258 USER MOD Single : A 15 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.15) USER MOD Single : A 20 SER OG : rot 80:sc= 1.14 USER MOD Single : A 21 SER OG : rot 102:sc= 0.166 USER MOD Single : A 25 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0255) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 34 SER OG : rot 9:sc= 1.06 USER MOD Single : A 36 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.31) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00323) USER MOD Single : A 50 ASN : amide:sc= 1.49 K(o=1.5,f=-4.5!) USER MOD Single : A 55 ASN : amide:sc= 0.156 K(o=0.16,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.033 12.171 5.192 1.00 0.00 N ATOM 2 CA VAL A 1 5.593 10.878 4.621 1.00 0.00 C ATOM 3 C VAL A 1 4.373 10.400 5.373 1.00 0.00 C ATOM 4 O VAL A 1 3.763 11.139 6.146 1.00 0.00 O ATOM 5 CB VAL A 1 6.737 9.843 4.665 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.913 10.323 3.785 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.209 9.529 6.104 1.00 0.00 C ATOM 0 H1 VAL A 1 5.973 12.911 4.463 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.420 12.423 5.993 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.016 12.089 5.521 1.00 0.00 H new ATOM 0 HA VAL A 1 5.327 11.009 3.572 1.00 0.00 H new ATOM 0 HB VAL A 1 6.346 8.907 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.717 9.588 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.573 10.440 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.279 11.280 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.014 8.795 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.570 10.443 6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.376 9.127 6.681 1.00 0.00 H new ATOM 19 N ARG A 2 3.993 9.126 5.180 1.00 0.00 N ATOM 20 CA ARG A 2 3.072 8.424 6.022 1.00 0.00 C ATOM 21 C ARG A 2 3.757 7.103 5.936 1.00 0.00 C ATOM 22 O ARG A 2 4.628 6.943 5.079 1.00 0.00 O ATOM 23 CB ARG A 2 1.601 8.301 5.528 1.00 0.00 C ATOM 24 CG ARG A 2 1.386 7.834 4.070 1.00 0.00 C ATOM 25 CD ARG A 2 1.542 8.930 2.995 1.00 0.00 C ATOM 26 NE ARG A 2 0.207 9.249 2.369 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.496 10.396 2.622 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.064 11.308 3.539 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.652 10.620 1.935 1.00 0.00 N ATOM 0 H ARG A 2 4.341 8.560 4.406 1.00 0.00 H new ATOM 0 HA ARG A 2 2.914 8.901 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.080 7.606 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.122 9.273 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.094 7.034 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.387 7.407 3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.965 9.829 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.240 8.598 2.227 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.195 8.572 1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.801 11.143 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.606 12.155 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.977 9.939 1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.192 11.468 2.108 1.00 0.00 H new ATOM 43 N ASP A 3 3.393 6.133 6.785 1.00 0.00 N ATOM 44 CA ASP A 3 3.905 4.793 6.711 1.00 0.00 C ATOM 45 C ASP A 3 2.563 4.169 6.713 1.00 0.00 C ATOM 46 O ASP A 3 1.717 4.623 7.487 1.00 0.00 O ATOM 47 CB ASP A 3 4.696 4.310 7.960 1.00 0.00 C ATOM 48 CG ASP A 3 5.687 5.384 8.411 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.519 5.819 7.575 1.00 0.00 O ATOM 50 OD2 ASP A 3 5.613 5.795 9.601 1.00 0.00 O ATOM 0 H ASP A 3 2.727 6.276 7.544 1.00 0.00 H new ATOM 0 HA ASP A 3 4.615 4.604 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.004 4.081 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.230 3.389 7.727 1.00 0.00 H new ATOM 55 N GLY A 4 2.257 3.219 5.812 1.00 0.00 N ATOM 56 CA GLY A 4 0.943 2.664 5.883 1.00 0.00 C ATOM 57 C GLY A 4 1.008 1.398 5.133 1.00 0.00 C ATOM 58 O GLY A 4 2.038 1.056 4.553 1.00 0.00 O ATOM 0 H GLY A 4 2.870 2.855 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.645 2.492 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.207 3.340 5.448 1.00 0.00 H new ATOM 62 N TYR A 5 -0.151 0.712 5.051 1.00 0.00 N ATOM 63 CA TYR A 5 -0.365 -0.362 4.119 1.00 0.00 C ATOM 64 C TYR A 5 -0.559 0.322 2.799 1.00 0.00 C ATOM 65 O TYR A 5 -1.242 1.340 2.752 1.00 0.00 O ATOM 66 CB TYR A 5 -1.657 -1.164 4.434 1.00 0.00 C ATOM 67 CG TYR A 5 -1.369 -2.314 5.358 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.188 -2.110 6.739 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.283 -3.619 4.851 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.931 -3.187 7.593 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.032 -4.702 5.701 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.874 -4.488 7.080 1.00 0.00 C ATOM 73 OH TYR A 5 -0.709 -5.570 7.973 1.00 0.00 O ATOM 0 H TYR A 5 -0.958 0.906 5.644 1.00 0.00 H new ATOM 0 HA TYR A 5 0.467 -1.065 4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.396 -0.505 4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.091 -1.538 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.248 -1.110 7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.412 -3.790 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.777 -3.015 8.648 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.960 -5.701 5.297 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.495 -6.153 7.929 1.00 0.00 H new ATOM 83 N ILE A 6 0.094 -0.157 1.721 1.00 0.00 N ATOM 84 CA ILE A 6 -0.035 0.447 0.415 1.00 0.00 C ATOM 85 C ILE A 6 -1.162 -0.246 -0.301 1.00 0.00 C ATOM 86 O ILE A 6 -1.426 -1.441 -0.092 1.00 0.00 O ATOM 87 CB ILE A 6 1.266 0.496 -0.384 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.215 1.473 -1.587 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.670 -0.927 -0.789 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.573 1.730 -2.240 1.00 0.00 C ATOM 0 H ILE A 6 0.715 -0.966 1.748 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.274 1.504 0.534 1.00 0.00 H new ATOM 0 HB ILE A 6 2.042 0.908 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.533 1.073 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.799 2.423 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.598 -0.893 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.815 -1.532 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.884 -1.368 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.451 2.423 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.254 2.161 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.984 0.790 -2.608 1.00 0.00 H new ATOM 102 N ALA A 7 -1.824 0.561 -1.156 1.00 0.00 N ATOM 103 CA ALA A 7 -2.994 0.311 -1.908 1.00 0.00 C ATOM 104 C ALA A 7 -2.827 1.377 -2.924 1.00 0.00 C ATOM 105 O ALA A 7 -1.827 2.093 -2.871 1.00 0.00 O ATOM 106 CB ALA A 7 -4.263 0.618 -1.116 1.00 0.00 C ATOM 0 H ALA A 7 -1.481 1.506 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.097 -0.719 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.137 0.411 -1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.294 -0.006 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.265 1.668 -0.825 1.00 0.00 H new ATOM 112 N GLN A 8 -3.806 1.522 -3.828 1.00 0.00 N ATOM 113 CA GLN A 8 -3.862 2.576 -4.801 1.00 0.00 C ATOM 114 C GLN A 8 -4.857 3.567 -4.261 1.00 0.00 C ATOM 115 O GLN A 8 -5.597 3.239 -3.329 1.00 0.00 O ATOM 116 CB GLN A 8 -4.417 2.047 -6.146 1.00 0.00 C ATOM 117 CG GLN A 8 -3.444 1.076 -6.833 1.00 0.00 C ATOM 118 CD GLN A 8 -4.219 0.019 -7.617 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.125 -0.055 -8.846 1.00 0.00 O ATOM 120 NE2 GLN A 8 -4.980 -0.833 -6.869 1.00 0.00 N ATOM 0 H GLN A 8 -4.596 0.880 -3.888 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.871 2.997 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.368 1.543 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.618 2.888 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.784 1.625 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.812 0.595 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.020 -0.725 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.508 -1.578 -7.324 1.00 0.00 H new ATOM 129 N PRO A 9 -4.942 4.768 -4.839 1.00 0.00 N ATOM 130 CA PRO A 9 -5.940 5.741 -4.458 1.00 0.00 C ATOM 131 C PRO A 9 -7.332 5.196 -4.709 1.00 0.00 C ATOM 132 O PRO A 9 -7.546 4.701 -5.810 1.00 0.00 O ATOM 133 CB PRO A 9 -5.669 6.919 -5.400 1.00 0.00 C ATOM 134 CG PRO A 9 -4.149 6.887 -5.577 1.00 0.00 C ATOM 135 CD PRO A 9 -3.854 5.384 -5.605 1.00 0.00 C ATOM 0 HA PRO A 9 -5.889 6.008 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.187 6.800 -6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.004 7.863 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.837 7.380 -6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.634 7.387 -4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.828 5.006 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.884 5.164 -5.159 1.00 0.00 H new ATOM 143 N GLU A 10 -8.295 5.241 -3.761 1.00 0.00 N ATOM 144 CA GLU A 10 -8.161 5.633 -2.388 1.00 0.00 C ATOM 145 C GLU A 10 -8.786 4.481 -1.677 1.00 0.00 C ATOM 146 O GLU A 10 -9.958 4.206 -1.921 1.00 0.00 O ATOM 147 CB GLU A 10 -8.968 6.914 -2.075 1.00 0.00 C ATOM 148 CG GLU A 10 -8.517 8.146 -2.877 1.00 0.00 C ATOM 149 CD GLU A 10 -9.446 9.313 -2.558 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.366 9.841 -1.416 1.00 0.00 O ATOM 151 OE2 GLU A 10 -10.254 9.689 -3.448 1.00 0.00 O ATOM 0 H GLU A 10 -9.255 4.977 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.129 5.850 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.022 6.726 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.883 7.134 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.488 8.404 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.538 7.929 -3.945 1.00 0.00 H new ATOM 158 N ASN A 11 -8.015 3.744 -0.827 1.00 0.00 N ATOM 159 CA ASN A 11 -8.483 2.580 -0.096 1.00 0.00 C ATOM 160 C ASN A 11 -8.699 1.428 -1.050 1.00 0.00 C ATOM 161 O ASN A 11 -9.416 0.470 -0.767 1.00 0.00 O ATOM 162 CB ASN A 11 -9.736 2.865 0.785 1.00 0.00 C ATOM 163 CG ASN A 11 -9.750 2.066 2.096 1.00 0.00 C ATOM 164 OD1 ASN A 11 -9.550 0.854 2.126 1.00 0.00 O ATOM 165 ND2 ASN A 11 -9.978 2.792 3.230 1.00 0.00 N ATOM 0 H ASN A 11 -7.036 3.965 -0.643 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.704 2.303 0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.775 3.930 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.634 2.629 0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.986 2.329 4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.140 3.797 3.168 1.00 0.00 H new ATOM 172 N CYS A 12 -8.071 1.513 -2.237 1.00 0.00 N ATOM 173 CA CYS A 12 -8.259 0.542 -3.291 1.00 0.00 C ATOM 174 C CYS A 12 -7.051 -0.331 -3.303 1.00 0.00 C ATOM 175 O CYS A 12 -6.042 -0.006 -3.929 1.00 0.00 O ATOM 176 CB CYS A 12 -8.444 1.182 -4.679 1.00 0.00 C ATOM 177 SG CYS A 12 -9.937 2.222 -4.707 1.00 0.00 S ATOM 0 H CYS A 12 -7.422 2.263 -2.477 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.173 -0.017 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.570 1.784 -4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.522 0.403 -5.438 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.958 2.980 -3.651 1.00 0.00 H new ATOM 182 N VAL A 13 -7.108 -1.453 -2.552 1.00 0.00 N ATOM 183 CA VAL A 13 -5.945 -2.235 -2.205 1.00 0.00 C ATOM 184 C VAL A 13 -5.166 -2.784 -3.359 1.00 0.00 C ATOM 185 O VAL A 13 -5.651 -2.976 -4.474 1.00 0.00 O ATOM 186 CB VAL A 13 -6.171 -3.277 -1.120 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.538 -2.538 0.182 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.220 -4.319 -1.543 1.00 0.00 C ATOM 0 H VAL A 13 -7.979 -1.828 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.300 -1.476 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.260 -3.852 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.706 -3.264 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.723 -1.872 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.446 -1.955 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.354 -5.046 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.168 -3.820 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.882 -4.830 -2.445 1.00 0.00 H new ATOM 198 N TYR A 14 -3.883 -3.009 -3.037 1.00 0.00 N ATOM 199 CA TYR A 14 -2.874 -3.599 -3.845 1.00 0.00 C ATOM 200 C TYR A 14 -2.849 -4.949 -3.202 1.00 0.00 C ATOM 201 O TYR A 14 -3.546 -5.149 -2.213 1.00 0.00 O ATOM 202 CB TYR A 14 -1.508 -2.880 -3.642 1.00 0.00 C ATOM 203 CG TYR A 14 -1.071 -2.084 -4.853 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.253 -2.561 -6.167 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.448 -0.835 -4.676 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.897 -1.777 -7.272 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.046 -0.067 -5.774 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.295 -0.525 -7.073 1.00 0.00 C ATOM 209 OH TYR A 14 0.025 0.304 -8.167 1.00 0.00 O ATOM 0 H TYR A 14 -3.522 -2.750 -2.119 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.049 -3.575 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.579 -2.213 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.745 -3.622 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.672 -3.544 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.277 -0.463 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.085 -2.135 -8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.455 0.877 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.028 1.243 -7.892 1.00 0.00 H new ATOM 219 N HIS A 15 -2.072 -5.913 -3.711 1.00 0.00 N ATOM 220 CA HIS A 15 -1.998 -7.205 -3.109 1.00 0.00 C ATOM 221 C HIS A 15 -0.532 -7.366 -3.200 1.00 0.00 C ATOM 222 O HIS A 15 0.098 -6.744 -4.057 1.00 0.00 O ATOM 223 CB HIS A 15 -2.713 -8.335 -3.888 1.00 0.00 C ATOM 224 CG HIS A 15 -4.207 -8.356 -3.676 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.026 -7.305 -3.992 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.996 -9.331 -3.164 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.269 -7.629 -3.668 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.282 -8.857 -3.168 1.00 0.00 N ATOM 0 H HIS A 15 -1.492 -5.800 -4.542 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.473 -7.271 -2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.506 -8.220 -4.952 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.297 -9.295 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.672 -10.301 -2.817 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.134 -6.994 -3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.107 -9.362 -2.843 1.00 0.00 H new ATOM 237 N CYS A 16 0.048 -8.156 -2.285 1.00 0.00 N ATOM 238 CA CYS A 16 1.458 -8.374 -2.211 1.00 0.00 C ATOM 239 C CYS A 16 1.666 -9.670 -2.918 1.00 0.00 C ATOM 240 O CYS A 16 0.703 -10.322 -3.318 1.00 0.00 O ATOM 241 CB CYS A 16 1.953 -8.470 -0.746 1.00 0.00 C ATOM 242 SG CYS A 16 3.729 -8.110 -0.548 1.00 0.00 S ATOM 0 H CYS A 16 -0.480 -8.660 -1.573 1.00 0.00 H new ATOM 0 HA CYS A 16 2.017 -7.550 -2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.380 -7.775 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.750 -9.472 -0.368 1.00 0.00 H new ATOM 247 N PHE A 17 2.928 -10.087 -3.084 1.00 0.00 N ATOM 248 CA PHE A 17 3.248 -11.369 -3.620 1.00 0.00 C ATOM 249 C PHE A 17 3.970 -11.914 -2.429 1.00 0.00 C ATOM 250 O PHE A 17 4.936 -11.239 -2.060 1.00 0.00 O ATOM 251 CB PHE A 17 4.228 -11.279 -4.810 1.00 0.00 C ATOM 252 CG PHE A 17 3.533 -10.639 -5.986 1.00 0.00 C ATOM 253 CD1 PHE A 17 3.470 -9.238 -6.099 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.918 -11.426 -6.976 1.00 0.00 C ATOM 255 CE1 PHE A 17 2.798 -8.633 -7.167 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.239 -10.826 -8.045 1.00 0.00 C ATOM 257 CZ PHE A 17 2.182 -9.429 -8.140 1.00 0.00 C ATOM 0 H PHE A 17 3.743 -9.524 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 17 2.398 -11.934 -4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.104 -10.695 -4.530 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.581 -12.274 -5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.947 -8.621 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.969 -12.503 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.755 -7.556 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.760 -11.439 -8.794 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.662 -8.966 -8.965 1.00 0.00 H new ATOM 267 N PRO A 18 3.573 -13.010 -1.765 1.00 0.00 N ATOM 268 CA PRO A 18 4.163 -13.423 -0.500 1.00 0.00 C ATOM 269 C PRO A 18 5.636 -13.723 -0.648 1.00 0.00 C ATOM 270 O PRO A 18 5.996 -14.779 -1.158 1.00 0.00 O ATOM 271 CB PRO A 18 3.382 -14.684 -0.089 1.00 0.00 C ATOM 272 CG PRO A 18 2.013 -14.577 -0.785 1.00 0.00 C ATOM 273 CD PRO A 18 2.202 -13.517 -1.877 1.00 0.00 C ATOM 0 HA PRO A 18 4.096 -12.636 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.908 -15.587 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.267 -14.737 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.712 -15.534 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.235 -14.283 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.032 -13.948 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.482 -12.707 -1.754 1.00 0.00 H new ATOM 281 N GLY A 19 6.500 -12.786 -0.237 1.00 0.00 N ATOM 282 CA GLY A 19 7.904 -12.890 -0.501 1.00 0.00 C ATOM 283 C GLY A 19 8.351 -11.481 -0.418 1.00 0.00 C ATOM 284 O GLY A 19 9.340 -11.199 0.255 1.00 0.00 O ATOM 0 H GLY A 19 6.230 -11.950 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.409 -13.520 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.102 -13.321 -1.482 1.00 0.00 H new ATOM 288 N SER A 20 7.566 -10.576 -1.055 1.00 0.00 N ATOM 289 CA SER A 20 7.636 -9.129 -1.028 1.00 0.00 C ATOM 290 C SER A 20 7.820 -8.668 -2.433 1.00 0.00 C ATOM 291 O SER A 20 7.124 -7.761 -2.878 1.00 0.00 O ATOM 292 CB SER A 20 8.677 -8.414 -0.117 1.00 0.00 C ATOM 293 OG SER A 20 8.592 -8.901 1.215 1.00 0.00 O ATOM 0 H SER A 20 6.802 -10.892 -1.652 1.00 0.00 H new ATOM 0 HA SER A 20 6.699 -8.839 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.682 -8.577 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.501 -7.338 -0.129 1.00 0.00 H new ATOM 0 HG SER A 20 9.067 -9.755 1.282 1.00 0.00 H new ATOM 299 N SER A 21 8.780 -9.280 -3.161 1.00 0.00 N ATOM 300 CA SER A 21 9.506 -8.787 -4.303 1.00 0.00 C ATOM 301 C SER A 21 8.747 -7.983 -5.338 1.00 0.00 C ATOM 302 O SER A 21 9.214 -6.930 -5.779 1.00 0.00 O ATOM 303 CB SER A 21 10.204 -9.994 -4.964 1.00 0.00 C ATOM 304 OG SER A 21 10.623 -10.891 -3.932 1.00 0.00 O ATOM 0 H SER A 21 9.079 -10.225 -2.921 1.00 0.00 H new ATOM 0 HA SER A 21 10.197 -8.045 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.523 -10.497 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.061 -9.663 -5.550 1.00 0.00 H new ATOM 0 HG SER A 21 9.998 -11.644 -3.879 1.00 0.00 H new ATOM 310 N GLY A 22 7.548 -8.443 -5.750 1.00 0.00 N ATOM 311 CA GLY A 22 6.778 -7.747 -6.762 1.00 0.00 C ATOM 312 C GLY A 22 6.183 -6.480 -6.220 1.00 0.00 C ATOM 313 O GLY A 22 6.206 -5.437 -6.870 1.00 0.00 O ATOM 0 H GLY A 22 7.107 -9.290 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.418 -7.515 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.983 -8.397 -7.128 1.00 0.00 H new ATOM 317 N CYS A 23 5.656 -6.516 -4.976 1.00 0.00 N ATOM 318 CA CYS A 23 5.022 -5.350 -4.404 1.00 0.00 C ATOM 319 C CYS A 23 6.100 -4.484 -3.834 1.00 0.00 C ATOM 320 O CYS A 23 5.951 -3.273 -3.753 1.00 0.00 O ATOM 321 CB CYS A 23 3.973 -5.647 -3.313 1.00 0.00 C ATOM 322 SG CYS A 23 2.808 -4.259 -3.096 1.00 0.00 S ATOM 0 H CYS A 23 5.666 -7.337 -4.371 1.00 0.00 H new ATOM 0 HA CYS A 23 4.467 -4.863 -5.206 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.419 -6.548 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.478 -5.848 -2.368 1.00 0.00 H new ATOM 327 N ASP A 24 7.246 -5.087 -3.460 1.00 0.00 N ATOM 328 CA ASP A 24 8.422 -4.373 -3.022 1.00 0.00 C ATOM 329 C ASP A 24 9.014 -3.575 -4.169 1.00 0.00 C ATOM 330 O ASP A 24 9.589 -2.511 -3.961 1.00 0.00 O ATOM 331 CB ASP A 24 9.478 -5.339 -2.434 1.00 0.00 C ATOM 332 CG ASP A 24 10.465 -4.613 -1.519 1.00 0.00 C ATOM 333 OD1 ASP A 24 9.996 -3.944 -0.559 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.694 -4.733 -1.757 1.00 0.00 O ATOM 0 H ASP A 24 7.364 -6.100 -3.460 1.00 0.00 H new ATOM 0 HA ASP A 24 8.122 -3.684 -2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.977 -6.128 -1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.022 -5.821 -3.246 1.00 0.00 H new ATOM 339 N THR A 25 8.840 -4.039 -5.423 1.00 0.00 N ATOM 340 CA THR A 25 9.228 -3.289 -6.598 1.00 0.00 C ATOM 341 C THR A 25 8.291 -2.104 -6.764 1.00 0.00 C ATOM 342 O THR A 25 8.747 -0.990 -7.021 1.00 0.00 O ATOM 343 CB THR A 25 9.202 -4.145 -7.849 1.00 0.00 C ATOM 344 OG1 THR A 25 10.036 -5.293 -7.678 1.00 0.00 O ATOM 345 CG2 THR A 25 9.715 -3.372 -9.083 1.00 0.00 C ATOM 0 H THR A 25 8.425 -4.947 -5.632 1.00 0.00 H new ATOM 0 HA THR A 25 10.253 -2.944 -6.459 1.00 0.00 H new ATOM 0 HB THR A 25 8.164 -4.437 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.626 -5.901 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.680 -4.020 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.085 -2.499 -9.253 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.742 -3.051 -8.910 1.00 0.00 H new ATOM 353 N LEU A 26 6.957 -2.308 -6.580 1.00 0.00 N ATOM 354 CA LEU A 26 5.963 -1.248 -6.658 1.00 0.00 C ATOM 355 C LEU A 26 6.217 -0.230 -5.586 1.00 0.00 C ATOM 356 O LEU A 26 6.123 0.978 -5.797 1.00 0.00 O ATOM 357 CB LEU A 26 4.512 -1.736 -6.451 1.00 0.00 C ATOM 358 CG LEU A 26 3.982 -2.678 -7.552 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.626 -3.268 -7.121 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.869 -1.986 -8.926 1.00 0.00 C ATOM 0 H LEU A 26 6.559 -3.224 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 26 6.060 -0.840 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.450 -2.250 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.857 -0.867 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 26 4.708 -3.482 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.254 -3.933 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.751 -3.829 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.912 -2.460 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.491 -2.696 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.184 -1.141 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.852 -1.631 -9.236 1.00 0.00 H new ATOM 372 N CYS A 27 6.588 -0.718 -4.388 1.00 0.00 N ATOM 373 CA CYS A 27 6.956 0.091 -3.256 1.00 0.00 C ATOM 374 C CYS A 27 8.051 1.059 -3.625 1.00 0.00 C ATOM 375 O CYS A 27 7.937 2.251 -3.342 1.00 0.00 O ATOM 376 CB CYS A 27 7.400 -0.781 -2.056 1.00 0.00 C ATOM 377 SG CYS A 27 7.284 0.038 -0.449 1.00 0.00 S ATOM 0 H CYS A 27 6.635 -1.719 -4.195 1.00 0.00 H new ATOM 0 HA CYS A 27 6.072 0.655 -2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.790 -1.684 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.431 -1.097 -2.215 1.00 0.00 H new ATOM 382 N LYS A 28 9.100 0.581 -4.338 1.00 0.00 N ATOM 383 CA LYS A 28 10.222 1.419 -4.714 1.00 0.00 C ATOM 384 C LYS A 28 9.801 2.557 -5.600 1.00 0.00 C ATOM 385 O LYS A 28 10.147 3.704 -5.331 1.00 0.00 O ATOM 386 CB LYS A 28 11.336 0.653 -5.462 1.00 0.00 C ATOM 387 CG LYS A 28 12.147 -0.263 -4.538 1.00 0.00 C ATOM 388 CD LYS A 28 13.172 -1.120 -5.301 1.00 0.00 C ATOM 389 CE LYS A 28 14.107 -1.929 -4.388 1.00 0.00 C ATOM 390 NZ LYS A 28 13.340 -2.820 -3.493 1.00 0.00 N ATOM 0 H LYS A 28 9.175 -0.385 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 28 10.610 1.788 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.890 0.057 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.007 1.368 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.667 0.344 -3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.466 -0.917 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.639 -1.806 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.773 -0.470 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.791 -2.521 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.717 -1.249 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.998 -3.402 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.756 -2.248 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.726 -3.438 -4.061 1.00 0.00 H new ATOM 404 N GLU A 29 9.022 2.265 -6.664 1.00 0.00 N ATOM 405 CA GLU A 29 8.672 3.261 -7.650 1.00 0.00 C ATOM 406 C GLU A 29 7.618 4.231 -7.157 1.00 0.00 C ATOM 407 O GLU A 29 7.487 5.319 -7.714 1.00 0.00 O ATOM 408 CB GLU A 29 8.260 2.635 -9.006 1.00 0.00 C ATOM 409 CG GLU A 29 7.166 1.561 -8.893 1.00 0.00 C ATOM 410 CD GLU A 29 6.854 0.966 -10.263 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.794 0.428 -10.905 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.666 1.031 -10.680 1.00 0.00 O ATOM 0 H GLU A 29 8.632 1.340 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 29 9.583 3.835 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.910 3.427 -9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.141 2.194 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.491 0.773 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.263 1.997 -8.466 1.00 0.00 H new ATOM 419 N LYS A 30 6.854 3.876 -6.090 1.00 0.00 N ATOM 420 CA LYS A 30 5.916 4.799 -5.469 1.00 0.00 C ATOM 421 C LYS A 30 6.622 5.610 -4.416 1.00 0.00 C ATOM 422 O LYS A 30 6.186 6.712 -4.085 1.00 0.00 O ATOM 423 CB LYS A 30 4.666 4.136 -4.830 1.00 0.00 C ATOM 424 CG LYS A 30 3.506 3.925 -5.823 1.00 0.00 C ATOM 425 CD LYS A 30 3.796 2.908 -6.933 1.00 0.00 C ATOM 426 CE LYS A 30 2.680 2.784 -7.973 1.00 0.00 C ATOM 427 NZ LYS A 30 3.034 1.774 -8.998 1.00 0.00 N ATOM 0 H LYS A 30 6.882 2.954 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 30 5.548 5.422 -6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.952 3.173 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.318 4.756 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.626 3.598 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.258 4.883 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.719 3.191 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.967 1.931 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.748 2.502 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.510 3.750 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.168 1.430 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.658 2.206 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.525 0.977 -8.545 1.00 0.00 H new ATOM 441 N GLY A 31 7.750 5.102 -3.884 1.00 0.00 N ATOM 442 CA GLY A 31 8.632 5.901 -3.068 1.00 0.00 C ATOM 443 C GLY A 31 8.635 5.419 -1.654 1.00 0.00 C ATOM 444 O GLY A 31 8.884 6.195 -0.730 1.00 0.00 O ATOM 0 H GLY A 31 8.057 4.138 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.644 5.860 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.318 6.944 -3.100 1.00 0.00 H new ATOM 448 N GLY A 32 8.374 4.114 -1.434 1.00 0.00 N ATOM 449 CA GLY A 32 8.545 3.497 -0.145 1.00 0.00 C ATOM 450 C GLY A 32 9.889 2.855 -0.171 1.00 0.00 C ATOM 451 O GLY A 32 10.184 2.028 -1.033 1.00 0.00 O ATOM 0 H GLY A 32 8.040 3.477 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.482 4.237 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.764 2.760 0.041 1.00 0.00 H new ATOM 455 N THR A 33 10.766 3.250 0.772 1.00 0.00 N ATOM 456 CA THR A 33 12.162 2.919 0.738 1.00 0.00 C ATOM 457 C THR A 33 12.415 1.659 1.543 1.00 0.00 C ATOM 458 O THR A 33 13.546 1.197 1.695 1.00 0.00 O ATOM 459 CB THR A 33 12.905 4.109 1.316 1.00 0.00 C ATOM 460 OG1 THR A 33 12.158 4.664 2.402 1.00 0.00 O ATOM 461 CG2 THR A 33 13.004 5.166 0.196 1.00 0.00 C ATOM 0 H THR A 33 10.499 3.814 1.579 1.00 0.00 H new ATOM 0 HA THR A 33 12.505 2.719 -0.277 1.00 0.00 H new ATOM 0 HB THR A 33 13.889 3.809 1.677 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.642 5.431 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.533 6.043 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.547 4.748 -0.652 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.002 5.455 -0.121 1.00 0.00 H new ATOM 469 N SER A 34 11.352 1.062 2.103 1.00 0.00 N ATOM 470 CA SER A 34 11.393 -0.231 2.705 1.00 0.00 C ATOM 471 C SER A 34 9.934 -0.531 2.659 1.00 0.00 C ATOM 472 O SER A 34 9.139 0.403 2.489 1.00 0.00 O ATOM 473 CB SER A 34 11.910 -0.247 4.158 1.00 0.00 C ATOM 474 OG SER A 34 13.287 0.114 4.169 1.00 0.00 O ATOM 0 H SER A 34 10.429 1.495 2.138 1.00 0.00 H new ATOM 0 HA SER A 34 12.070 -0.930 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.335 0.448 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.778 -1.238 4.593 1.00 0.00 H new ATOM 0 HG SER A 34 13.551 0.423 3.277 1.00 0.00 H new ATOM 480 N GLY A 35 9.558 -1.822 2.769 1.00 0.00 N ATOM 481 CA GLY A 35 8.215 -2.250 2.556 1.00 0.00 C ATOM 482 C GLY A 35 8.306 -3.683 2.917 1.00 0.00 C ATOM 483 O GLY A 35 9.398 -4.140 3.269 1.00 0.00 O ATOM 0 H GLY A 35 10.200 -2.577 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.507 -1.712 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.896 -2.106 1.524 1.00 0.00 H new ATOM 487 N HIS A 36 7.170 -4.402 2.853 1.00 0.00 N ATOM 488 CA HIS A 36 7.045 -5.762 3.279 1.00 0.00 C ATOM 489 C HIS A 36 5.724 -6.121 2.675 1.00 0.00 C ATOM 490 O HIS A 36 5.075 -5.253 2.084 1.00 0.00 O ATOM 491 CB HIS A 36 6.901 -5.927 4.817 1.00 0.00 C ATOM 492 CG HIS A 36 8.104 -5.509 5.607 1.00 0.00 C ATOM 493 ND1 HIS A 36 9.219 -6.295 5.720 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.331 -4.382 6.320 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.092 -5.664 6.493 1.00 0.00 C ATOM 496 NE2 HIS A 36 9.583 -4.496 6.866 1.00 0.00 N ATOM 0 H HIS A 36 6.299 -4.017 2.487 1.00 0.00 H new ATOM 0 HA HIS A 36 7.915 -6.354 2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.043 -5.345 5.152 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.683 -6.972 5.038 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.653 -3.549 6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.064 -6.041 6.775 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.044 -3.804 7.456 1.00 0.00 H new ATOM 505 N CYS A 37 5.265 -7.377 2.876 1.00 0.00 N ATOM 506 CA CYS A 37 3.876 -7.729 2.694 1.00 0.00 C ATOM 507 C CYS A 37 3.270 -7.597 4.052 1.00 0.00 C ATOM 508 O CYS A 37 3.981 -7.405 5.036 1.00 0.00 O ATOM 509 CB CYS A 37 3.637 -9.195 2.254 1.00 0.00 C ATOM 510 SG CYS A 37 4.376 -9.601 0.655 1.00 0.00 S ATOM 0 H CYS A 37 5.857 -8.155 3.166 1.00 0.00 H new ATOM 0 HA CYS A 37 3.459 -7.092 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.043 -9.864 3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.564 -9.381 2.207 1.00 0.00 H new ATOM 515 N GLY A 38 1.942 -7.745 4.153 1.00 0.00 N ATOM 516 CA GLY A 38 1.289 -7.850 5.417 1.00 0.00 C ATOM 517 C GLY A 38 -0.002 -8.404 4.946 1.00 0.00 C ATOM 518 O GLY A 38 -0.131 -8.706 3.757 1.00 0.00 O ATOM 0 H GLY A 38 1.314 -7.792 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.808 -8.514 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.180 -6.889 5.919 1.00 0.00 H new ATOM 522 N PHE A 39 -0.994 -8.520 5.844 1.00 0.00 N ATOM 523 CA PHE A 39 -2.346 -8.855 5.498 1.00 0.00 C ATOM 524 C PHE A 39 -3.053 -7.731 6.181 1.00 0.00 C ATOM 525 O PHE A 39 -2.540 -7.253 7.198 1.00 0.00 O ATOM 526 CB PHE A 39 -2.806 -10.203 6.111 1.00 0.00 C ATOM 527 CG PHE A 39 -4.047 -10.732 5.445 1.00 0.00 C ATOM 528 CD1 PHE A 39 -3.932 -11.401 4.217 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.316 -10.604 6.034 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.051 -11.970 3.601 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.439 -11.167 5.422 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.304 -11.880 4.220 1.00 0.00 C ATOM 0 H PHE A 39 -0.855 -8.377 6.844 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.514 -8.969 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.004 -10.936 6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.995 -10.071 7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.966 -11.478 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.424 -10.067 6.965 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.949 -12.476 2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.413 -11.053 5.875 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.164 -12.358 3.774 1.00 0.00 H new ATOM 542 N LYS A 40 -4.206 -7.273 5.651 1.00 0.00 N ATOM 543 CA LYS A 40 -4.991 -6.245 6.277 1.00 0.00 C ATOM 544 C LYS A 40 -6.355 -6.850 6.373 1.00 0.00 C ATOM 545 O LYS A 40 -7.105 -6.905 5.394 1.00 0.00 O ATOM 546 CB LYS A 40 -5.062 -4.925 5.470 1.00 0.00 C ATOM 547 CG LYS A 40 -5.874 -3.797 6.137 1.00 0.00 C ATOM 548 CD LYS A 40 -5.393 -3.411 7.551 1.00 0.00 C ATOM 549 CE LYS A 40 -6.067 -2.148 8.111 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.529 -2.348 8.251 1.00 0.00 N ATOM 0 H LYS A 40 -4.600 -7.620 4.776 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.550 -5.959 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.047 -4.568 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.497 -5.137 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.835 -2.913 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.919 -4.103 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.582 -4.243 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.314 -3.257 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.635 -1.900 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.873 -1.303 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.958 -1.495 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.946 -2.529 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.710 -3.161 8.874 1.00 0.00 H new ATOM 564 N VAL A 41 -6.702 -7.337 7.586 1.00 0.00 N ATOM 565 CA VAL A 41 -7.935 -8.034 7.833 1.00 0.00 C ATOM 566 C VAL A 41 -9.048 -7.026 7.722 1.00 0.00 C ATOM 567 O VAL A 41 -9.046 -6.018 8.420 1.00 0.00 O ATOM 568 CB VAL A 41 -8.007 -8.705 9.201 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.077 -9.815 9.145 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.639 -9.297 9.615 1.00 0.00 C ATOM 0 H VAL A 41 -6.112 -7.244 8.413 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.015 -8.837 7.101 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.275 -7.960 9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.143 -10.306 10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.043 -9.377 8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.802 -10.547 8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.727 -9.767 10.594 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.328 -10.041 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.897 -8.500 9.661 1.00 0.00 H new ATOM 580 N GLY A 42 -9.983 -7.260 6.783 1.00 0.00 N ATOM 581 CA GLY A 42 -10.966 -6.272 6.437 1.00 0.00 C ATOM 582 C GLY A 42 -11.026 -6.277 4.952 1.00 0.00 C ATOM 583 O GLY A 42 -12.111 -6.210 4.386 1.00 0.00 O ATOM 0 H GLY A 42 -10.061 -8.133 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.936 -6.515 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.685 -5.289 6.815 1.00 0.00 H new ATOM 587 N HIS A 43 -9.859 -6.354 4.274 1.00 0.00 N ATOM 588 CA HIS A 43 -9.836 -6.408 2.830 1.00 0.00 C ATOM 589 C HIS A 43 -9.213 -7.715 2.464 1.00 0.00 C ATOM 590 O HIS A 43 -9.865 -8.574 1.874 1.00 0.00 O ATOM 591 CB HIS A 43 -9.068 -5.249 2.148 1.00 0.00 C ATOM 592 CG HIS A 43 -9.822 -3.937 2.181 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.592 -2.943 1.268 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.762 -3.468 3.038 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.365 -1.908 1.561 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.090 -2.202 2.629 1.00 0.00 N ATOM 0 H HIS A 43 -8.940 -6.379 4.715 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.860 -6.306 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.104 -5.120 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.863 -5.517 1.112 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.175 -3.994 3.886 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.398 -0.976 1.017 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.776 -1.590 3.072 1.00 0.00 H new ATOM 605 N GLY A 44 -7.928 -7.918 2.803 1.00 0.00 N ATOM 606 CA GLY A 44 -7.266 -9.117 2.404 1.00 0.00 C ATOM 607 C GLY A 44 -5.821 -8.776 2.380 1.00 0.00 C ATOM 608 O GLY A 44 -5.320 -8.095 3.275 1.00 0.00 O ATOM 0 H GLY A 44 -7.358 -7.266 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.467 -9.929 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.609 -9.448 1.424 1.00 0.00 H new ATOM 612 N LEU A 45 -5.120 -9.262 1.336 1.00 0.00 N ATOM 613 CA LEU A 45 -3.694 -9.143 1.159 1.00 0.00 C ATOM 614 C LEU A 45 -3.474 -7.764 0.598 1.00 0.00 C ATOM 615 O LEU A 45 -4.211 -7.359 -0.295 1.00 0.00 O ATOM 616 CB LEU A 45 -3.211 -10.238 0.161 1.00 0.00 C ATOM 617 CG LEU A 45 -1.685 -10.451 0.018 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.012 -10.982 1.297 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.363 -11.404 -1.153 1.00 0.00 C ATOM 0 H LEU A 45 -5.569 -9.766 0.571 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.139 -9.280 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.656 -11.187 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.611 -9.995 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.276 -9.460 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.056 -11.106 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.166 -10.273 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.450 -11.943 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.284 -11.535 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.834 -12.371 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.744 -10.980 -2.082 1.00 0.00 H new ATOM 631 N ALA A 46 -2.504 -6.994 1.135 1.00 0.00 N ATOM 632 CA ALA A 46 -2.306 -5.607 0.833 1.00 0.00 C ATOM 633 C ALA A 46 -0.878 -5.505 1.255 1.00 0.00 C ATOM 634 O ALA A 46 -0.438 -6.429 1.945 1.00 0.00 O ATOM 635 CB ALA A 46 -3.217 -4.687 1.671 1.00 0.00 C ATOM 0 H ALA A 46 -1.829 -7.355 1.809 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.531 -5.308 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.028 -3.647 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.261 -4.929 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.007 -4.834 2.730 1.00 0.00 H new ATOM 641 N CYS A 47 -0.096 -4.461 0.854 1.00 0.00 N ATOM 642 CA CYS A 47 1.350 -4.545 1.105 1.00 0.00 C ATOM 643 C CYS A 47 1.667 -3.491 2.111 1.00 0.00 C ATOM 644 O CYS A 47 0.754 -2.806 2.559 1.00 0.00 O ATOM 645 CB CYS A 47 2.283 -4.373 -0.127 1.00 0.00 C ATOM 646 SG CYS A 47 1.508 -4.893 -1.680 1.00 0.00 S ATOM 0 H CYS A 47 -0.423 -3.614 0.389 1.00 0.00 H new ATOM 0 HA CYS A 47 1.549 -5.563 1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.580 -3.327 -0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.193 -4.952 0.030 1.00 0.00 H new ATOM 651 N TRP A 48 2.954 -3.302 2.470 1.00 0.00 N ATOM 652 CA TRP A 48 3.357 -2.281 3.403 1.00 0.00 C ATOM 653 C TRP A 48 4.410 -1.540 2.648 1.00 0.00 C ATOM 654 O TRP A 48 5.120 -2.146 1.843 1.00 0.00 O ATOM 655 CB TRP A 48 3.933 -2.878 4.723 1.00 0.00 C ATOM 656 CG TRP A 48 4.504 -1.900 5.740 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.808 -1.542 5.931 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.737 -1.164 6.709 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.907 -0.622 6.949 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.648 -0.364 7.433 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.378 -1.142 6.996 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.207 0.484 8.446 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.935 -0.288 8.017 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.835 0.520 8.728 1.00 0.00 C ATOM 0 H TRP A 48 3.726 -3.863 2.110 1.00 0.00 H new ATOM 0 HA TRP A 48 2.523 -1.657 3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.141 -3.447 5.210 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.718 -3.586 4.459 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.643 -1.926 5.364 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.772 -0.201 7.288 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.684 -1.763 6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.903 1.097 8.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.883 -0.252 8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.466 1.177 9.502 1.00 0.00 H new ATOM 675 N CYS A 49 4.515 -0.219 2.904 1.00 0.00 N ATOM 676 CA CYS A 49 5.584 0.614 2.437 1.00 0.00 C ATOM 677 C CYS A 49 5.770 1.494 3.629 1.00 0.00 C ATOM 678 O CYS A 49 4.792 1.825 4.301 1.00 0.00 O ATOM 679 CB CYS A 49 5.223 1.468 1.207 1.00 0.00 C ATOM 680 SG CYS A 49 5.312 0.486 -0.312 1.00 0.00 S ATOM 0 H CYS A 49 3.826 0.288 3.459 1.00 0.00 H new ATOM 0 HA CYS A 49 6.452 0.043 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.218 1.874 1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.903 2.317 1.136 1.00 0.00 H new ATOM 685 N ASN A 50 7.029 1.851 3.960 1.00 0.00 N ATOM 686 CA ASN A 50 7.340 2.440 5.250 1.00 0.00 C ATOM 687 C ASN A 50 7.655 3.895 5.061 1.00 0.00 C ATOM 688 O ASN A 50 8.335 4.512 5.878 1.00 0.00 O ATOM 689 CB ASN A 50 8.548 1.751 5.937 1.00 0.00 C ATOM 690 CG ASN A 50 8.408 1.769 7.468 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.067 0.722 8.033 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.647 2.932 8.131 1.00 0.00 N ATOM 0 H ASN A 50 7.834 1.736 3.344 1.00 0.00 H new ATOM 0 HA ASN A 50 6.470 2.306 5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.627 0.721 5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.470 2.257 5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.547 2.970 9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.926 3.766 7.614 1.00 0.00 H new ATOM 699 N ALA A 51 7.173 4.478 3.958 1.00 0.00 N ATOM 700 CA ALA A 51 7.248 5.854 3.656 1.00 0.00 C ATOM 701 C ALA A 51 6.386 5.756 2.444 1.00 0.00 C ATOM 702 O ALA A 51 6.313 4.679 1.850 1.00 0.00 O ATOM 703 CB ALA A 51 8.637 6.380 3.249 1.00 0.00 C ATOM 0 H ALA A 51 6.699 3.944 3.230 1.00 0.00 H new ATOM 0 HA ALA A 51 6.990 6.521 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.575 7.448 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.343 6.210 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.978 5.855 2.356 1.00 0.00 H new ATOM 709 N LEU A 52 5.716 6.844 2.081 1.00 0.00 N ATOM 710 CA LEU A 52 5.322 7.154 0.745 1.00 0.00 C ATOM 711 C LEU A 52 5.371 8.634 0.907 1.00 0.00 C ATOM 712 O LEU A 52 5.193 9.077 2.043 1.00 0.00 O ATOM 713 CB LEU A 52 3.863 6.833 0.340 1.00 0.00 C ATOM 714 CG LEU A 52 3.590 5.450 -0.289 1.00 0.00 C ATOM 715 CD1 LEU A 52 4.721 4.942 -1.203 1.00 0.00 C ATOM 716 CD2 LEU A 52 3.106 4.423 0.740 1.00 0.00 C ATOM 0 H LEU A 52 5.428 7.555 2.753 1.00 0.00 H new ATOM 0 HA LEU A 52 5.919 6.618 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.238 6.929 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.534 7.595 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 52 2.753 5.596 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.453 3.965 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.869 5.644 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.643 4.857 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.929 3.468 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.865 4.296 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.180 4.773 1.195 1.00 0.00 H new ATOM 728 N PRO A 53 5.579 9.446 -0.113 1.00 0.00 N ATOM 729 CA PRO A 53 5.310 10.867 -0.020 1.00 0.00 C ATOM 730 C PRO A 53 3.807 11.090 -0.001 1.00 0.00 C ATOM 731 O PRO A 53 3.035 10.175 -0.284 1.00 0.00 O ATOM 732 CB PRO A 53 5.987 11.439 -1.275 1.00 0.00 C ATOM 733 CG PRO A 53 5.959 10.298 -2.302 1.00 0.00 C ATOM 734 CD PRO A 53 6.059 9.038 -1.438 1.00 0.00 C ATOM 0 HA PRO A 53 5.687 11.347 0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.455 12.315 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.009 11.753 -1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.041 10.310 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.789 10.370 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.451 8.230 -1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.085 8.672 -1.391 1.00 0.00 H new ATOM 742 N ASP A 54 3.368 12.305 0.362 1.00 0.00 N ATOM 743 CA ASP A 54 1.977 12.625 0.605 1.00 0.00 C ATOM 744 C ASP A 54 1.079 12.591 -0.613 1.00 0.00 C ATOM 745 O ASP A 54 -0.143 12.659 -0.487 1.00 0.00 O ATOM 746 CB ASP A 54 1.843 14.057 1.151 1.00 0.00 C ATOM 747 CG ASP A 54 2.642 14.209 2.445 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.250 13.586 3.467 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.668 14.942 2.419 1.00 0.00 O ATOM 0 H ASP A 54 3.993 13.100 0.494 1.00 0.00 H new ATOM 0 HA ASP A 54 1.661 11.849 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.200 14.771 0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.793 14.287 1.335 1.00 0.00 H new ATOM 754 N ASN A 55 1.659 12.496 -1.827 1.00 0.00 N ATOM 755 CA ASN A 55 0.916 12.503 -3.072 1.00 0.00 C ATOM 756 C ASN A 55 0.459 11.109 -3.409 1.00 0.00 C ATOM 757 O ASN A 55 -0.189 10.906 -4.432 1.00 0.00 O ATOM 758 CB ASN A 55 1.729 13.048 -4.285 1.00 0.00 C ATOM 759 CG ASN A 55 3.036 12.266 -4.477 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.933 12.405 -3.641 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.129 11.432 -5.552 1.00 0.00 N ATOM 0 H ASN A 55 2.667 12.412 -1.955 1.00 0.00 H new ATOM 0 HA ASN A 55 0.073 13.174 -2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.126 12.980 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.953 14.103 -4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.975 10.881 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.353 11.360 -6.210 1.00 0.00 H new ATOM 768 N VAL A 56 0.810 10.115 -2.572 1.00 0.00 N ATOM 769 CA VAL A 56 0.413 8.748 -2.751 1.00 0.00 C ATOM 770 C VAL A 56 -0.726 8.606 -1.799 1.00 0.00 C ATOM 771 O VAL A 56 -0.712 9.171 -0.706 1.00 0.00 O ATOM 772 CB VAL A 56 1.517 7.741 -2.445 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.165 6.333 -2.977 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.829 8.300 -3.043 1.00 0.00 C ATOM 0 H VAL A 56 1.388 10.265 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 56 0.158 8.535 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 56 1.636 7.613 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.974 5.642 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.244 5.987 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.028 6.376 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.645 7.605 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.714 8.425 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.055 9.264 -2.588 1.00 0.00 H new ATOM 784 N GLY A 57 -1.753 7.845 -2.197 1.00 0.00 N ATOM 785 CA GLY A 57 -2.914 7.622 -1.399 1.00 0.00 C ATOM 786 C GLY A 57 -2.903 6.147 -1.353 1.00 0.00 C ATOM 787 O GLY A 57 -2.534 5.500 -2.333 1.00 0.00 O ATOM 0 H GLY A 57 -1.779 7.370 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.834 8.072 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.819 8.019 -1.858 1.00 0.00 H new ATOM 791 N ILE A 58 -3.251 5.618 -0.178 1.00 0.00 N ATOM 792 CA ILE A 58 -3.009 4.267 0.216 1.00 0.00 C ATOM 793 C ILE A 58 -4.332 3.777 0.718 1.00 0.00 C ATOM 794 O ILE A 58 -5.357 3.928 0.049 1.00 0.00 O ATOM 795 CB ILE A 58 -1.880 4.224 1.231 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.016 5.238 2.396 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.567 4.475 0.462 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.050 4.935 3.540 1.00 0.00 C ATOM 0 H ILE A 58 -3.729 6.160 0.542 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.667 3.615 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.904 3.246 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.830 6.245 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.039 5.222 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.272 4.452 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.434 3.700 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.610 5.450 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.182 5.672 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.253 3.939 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.025 4.978 3.172 1.00 0.00 H new ATOM 810 N ILE A 59 -4.356 3.179 1.923 1.00 0.00 N ATOM 811 CA ILE A 59 -5.573 2.906 2.651 1.00 0.00 C ATOM 812 C ILE A 59 -6.023 4.264 3.141 1.00 0.00 C ATOM 813 O ILE A 59 -5.274 4.950 3.830 1.00 0.00 O ATOM 814 CB ILE A 59 -5.447 1.931 3.820 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.480 0.749 3.556 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.858 1.437 4.200 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.733 -0.103 2.310 1.00 0.00 C ATOM 0 H ILE A 59 -3.513 2.875 2.410 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.279 2.401 1.992 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.996 2.469 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.468 1.150 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.507 0.091 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.787 0.739 5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.475 2.287 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.310 0.935 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.983 -0.892 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.725 -0.550 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.671 0.525 1.421 1.00 0.00 H new ATOM 829 N VAL A 60 -7.214 4.719 2.723 1.00 0.00 N ATOM 830 CA VAL A 60 -7.626 6.086 2.881 1.00 0.00 C ATOM 831 C VAL A 60 -8.972 5.989 3.537 1.00 0.00 C ATOM 832 O VAL A 60 -9.930 5.497 2.939 1.00 0.00 O ATOM 833 CB VAL A 60 -7.677 6.810 1.538 1.00 0.00 C ATOM 834 CG1 VAL A 60 -8.455 8.134 1.612 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.237 7.079 1.054 1.00 0.00 C ATOM 0 H VAL A 60 -7.909 4.130 2.265 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.929 6.673 3.479 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.205 6.167 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.461 8.608 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.480 7.937 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.977 8.797 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.266 7.596 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.717 7.699 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.709 6.132 0.940 1.00 0.00 H new