USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 497 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 1 ALA N :NH3+ -156:sc= 1.81 (180deg=0.718) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.383 K(o=1.4,f=-11!) USER MOD Set 2.1: A 33 TYR OH : rot 16:sc= 2.4 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 178:sc= 2.94 (180deg=1.51) USER MOD Set 3.1: A 8 CYS SG : rot -16:sc= -0.148 USER MOD Set 3.2: A 31 GLN :FLIP amide:sc= -0.154 F(o=-1.1,f=-0.3) USER MOD Single : A 2 TYR OH : rot 172:sc= 1.31 USER MOD Single : A 5 THR OG1 : rot -62:sc= 1.11 USER MOD Single : A 16 CYS SG : rot 150:sc= -0.352 USER MOD Single : A 20 CYS SG : rot -170:sc= 0 USER MOD Single : A 24 CYS SG : rot 148:sc= 0.12 USER MOD Single : A 26 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.57) USER MOD Single : A 32 TYR OH : rot -149:sc= 1.22 USER MOD Single : A 39 CYS SG : rot 150:sc= -1.42 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.534 USER MOD Single : A 45 CYS SG : rot -53:sc= -0.518 USER MOD Single : A 49 CYS SG : rot 140:sc= 0.409 USER MOD Single : A 52 SER OG : rot 67:sc= 0.617 USER MOD Single : A 55 TYR OH : rot 50:sc= 1.25 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 1.78 (180deg=1.18) USER MOD Single : A 66 SER OG : rot 103:sc= 0.141 USER MOD Single : A 67 TYR OH : rot -164:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.39! C(o=-1.4!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.693 -4.956 9.049 1.00 0.00 N ATOM 2 CA ALA A 1 -0.877 -4.161 8.120 1.00 0.00 C ATOM 3 C ALA A 1 -1.714 -3.576 6.976 1.00 0.00 C ATOM 4 O ALA A 1 -2.585 -4.257 6.434 1.00 0.00 O ATOM 5 CB ALA A 1 0.009 -3.132 8.803 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.227 -4.990 9.978 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.632 -4.519 9.148 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.798 -5.922 8.679 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.176 -4.862 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.579 -2.587 8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.611 -2.434 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.695 -3.637 9.483 1.00 0.00 H new ATOM 12 N TYR A 2 -1.461 -2.312 6.612 1.00 0.00 N ATOM 13 CA TYR A 2 -2.128 -1.616 5.526 1.00 0.00 C ATOM 14 C TYR A 2 -1.336 -1.827 4.244 1.00 0.00 C ATOM 15 O TYR A 2 -0.113 -1.701 4.240 1.00 0.00 O ATOM 16 CB TYR A 2 -2.284 -0.135 5.866 1.00 0.00 C ATOM 17 CG TYR A 2 -3.554 0.167 6.636 1.00 0.00 C ATOM 18 CD1 TYR A 2 -3.676 -0.180 7.995 1.00 0.00 C ATOM 19 CD2 TYR A 2 -4.652 0.731 5.963 1.00 0.00 C ATOM 20 CE1 TYR A 2 -4.860 0.124 8.694 1.00 0.00 C ATOM 21 CE2 TYR A 2 -5.810 1.074 6.672 1.00 0.00 C ATOM 22 CZ TYR A 2 -5.885 0.847 8.054 1.00 0.00 C ATOM 23 OH TYR A 2 -6.946 1.337 8.754 1.00 0.00 O ATOM 0 H TYR A 2 -0.764 -1.736 7.085 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.131 -2.018 5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.425 0.190 6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.278 0.446 4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -2.862 -0.679 8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.602 0.900 4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.982 -0.196 9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -6.648 1.515 6.153 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.481 1.917 8.173 1.00 0.00 H new ATOM 33 N VAL A 3 -2.036 -2.218 3.180 1.00 0.00 N ATOM 34 CA VAL A 3 -1.421 -2.728 1.966 1.00 0.00 C ATOM 35 C VAL A 3 -2.073 -2.110 0.740 1.00 0.00 C ATOM 36 O VAL A 3 -3.185 -1.587 0.779 1.00 0.00 O ATOM 37 CB VAL A 3 -1.503 -4.266 1.930 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.287 -4.841 1.194 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.575 -4.890 3.327 1.00 0.00 C ATOM 0 H VAL A 3 -3.055 -2.187 3.141 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.368 -2.448 1.960 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.425 -4.515 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.355 -5.929 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.266 -4.460 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.625 -4.544 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.631 -5.975 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.684 -4.618 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.461 -4.522 3.845 1.00 0.00 H new ATOM 49 N ILE A 4 -1.335 -2.163 -0.361 1.00 0.00 N ATOM 50 CA ILE A 4 -1.779 -1.643 -1.631 1.00 0.00 C ATOM 51 C ILE A 4 -2.953 -2.470 -2.160 1.00 0.00 C ATOM 52 O ILE A 4 -3.098 -3.640 -1.804 1.00 0.00 O ATOM 53 CB ILE A 4 -0.563 -1.684 -2.584 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.521 -0.463 -3.508 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.515 -2.961 -3.416 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.093 0.788 -2.735 1.00 0.00 C ATOM 0 H ILE A 4 -0.402 -2.574 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.141 -0.619 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 4 0.317 -1.667 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.174 -0.645 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.503 -0.303 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.358 -2.938 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.451 -3.824 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.418 -3.035 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.070 1.643 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.804 0.980 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.900 0.633 -2.312 1.00 0.00 H new ATOM 68 N THR A 5 -3.737 -1.897 -3.074 1.00 0.00 N ATOM 69 CA THR A 5 -4.564 -2.669 -3.978 1.00 0.00 C ATOM 70 C THR A 5 -4.532 -2.030 -5.364 1.00 0.00 C ATOM 71 O THR A 5 -4.058 -0.906 -5.540 1.00 0.00 O ATOM 72 CB THR A 5 -6.008 -2.779 -3.468 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.583 -1.510 -3.245 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.119 -3.617 -2.200 1.00 0.00 C ATOM 0 H THR A 5 -3.811 -0.888 -3.202 1.00 0.00 H new ATOM 0 HA THR A 5 -4.163 -3.681 -4.034 1.00 0.00 H new ATOM 0 HB THR A 5 -6.561 -3.285 -4.259 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.072 -1.036 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.161 -3.662 -1.883 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.756 -4.626 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.519 -3.164 -1.411 1.00 0.00 H new ATOM 82 N GLU A 6 -5.085 -2.782 -6.317 1.00 0.00 N ATOM 83 CA GLU A 6 -5.424 -2.404 -7.678 1.00 0.00 C ATOM 84 C GLU A 6 -5.529 -0.884 -7.924 1.00 0.00 C ATOM 85 O GLU A 6 -4.737 -0.365 -8.705 1.00 0.00 O ATOM 86 CB GLU A 6 -6.653 -3.220 -8.076 1.00 0.00 C ATOM 87 CG GLU A 6 -7.088 -3.104 -9.537 1.00 0.00 C ATOM 88 CD GLU A 6 -6.185 -3.880 -10.495 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.325 -4.645 -10.000 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.367 -3.688 -11.714 1.00 0.00 O ATOM 0 H GLU A 6 -5.326 -3.756 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.599 -2.650 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.454 -4.269 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.487 -2.916 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.110 -3.469 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.095 -2.053 -9.825 1.00 0.00 H new ATOM 97 N PRO A 7 -6.456 -0.137 -7.293 1.00 0.00 N ATOM 98 CA PRO A 7 -6.675 1.275 -7.597 1.00 0.00 C ATOM 99 C PRO A 7 -5.455 2.211 -7.530 1.00 0.00 C ATOM 100 O PRO A 7 -5.517 3.288 -8.117 1.00 0.00 O ATOM 101 CB PRO A 7 -7.812 1.750 -6.682 1.00 0.00 C ATOM 102 CG PRO A 7 -8.010 0.623 -5.671 1.00 0.00 C ATOM 103 CD PRO A 7 -7.518 -0.609 -6.419 1.00 0.00 C ATOM 0 HA PRO A 7 -6.927 1.336 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.553 2.684 -6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.724 1.934 -7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.438 0.795 -4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.055 0.525 -5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.149 -1.366 -5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.324 -1.067 -6.993 1.00 0.00 H new ATOM 111 N CYS A 8 -4.360 1.856 -6.844 1.00 0.00 N ATOM 112 CA CYS A 8 -3.144 2.675 -6.889 1.00 0.00 C ATOM 113 C CYS A 8 -2.518 2.658 -8.298 1.00 0.00 C ATOM 114 O CYS A 8 -1.864 3.622 -8.706 1.00 0.00 O ATOM 115 CB CYS A 8 -2.166 2.182 -5.848 1.00 0.00 C ATOM 116 SG CYS A 8 -0.487 2.884 -5.920 1.00 0.00 S ATOM 0 H CYS A 8 -4.292 1.022 -6.261 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.403 3.710 -6.665 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.582 2.391 -4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.088 1.099 -5.938 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.307 3.460 -7.071 1.00 0.00 H new ATOM 121 N ILE A 9 -2.702 1.559 -9.042 1.00 0.00 N ATOM 122 CA ILE A 9 -1.926 1.243 -10.233 1.00 0.00 C ATOM 123 C ILE A 9 -1.826 2.414 -11.208 1.00 0.00 C ATOM 124 O ILE A 9 -2.832 2.922 -11.700 1.00 0.00 O ATOM 125 CB ILE A 9 -2.370 -0.090 -10.857 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.945 -1.205 -9.888 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.723 -0.342 -12.229 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.527 -2.569 -10.229 1.00 0.00 C ATOM 0 H ILE A 9 -3.409 0.857 -8.823 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.893 1.084 -9.924 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.448 -0.066 -11.015 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.857 -1.275 -9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.251 -0.932 -8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.070 -1.296 -12.625 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.001 0.458 -12.915 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.639 -0.367 -12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.183 -3.304 -9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.615 -2.517 -10.204 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.200 -2.865 -11.226 1.00 0.00 H new ATOM 140 N GLY A 10 -0.586 2.840 -11.463 1.00 0.00 N ATOM 141 CA GLY A 10 -0.248 3.837 -12.467 1.00 0.00 C ATOM 142 C GLY A 10 -0.944 5.189 -12.289 1.00 0.00 C ATOM 143 O GLY A 10 -1.045 5.947 -13.252 1.00 0.00 O ATOM 0 H GLY A 10 0.228 2.488 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.830 3.995 -12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.500 3.441 -13.451 1.00 0.00 H new ATOM 216 N CYS A 16 2.083 8.828 -0.969 1.00 0.00 N ATOM 217 CA CYS A 16 1.949 8.176 0.338 1.00 0.00 C ATOM 218 C CYS A 16 3.228 8.177 1.203 1.00 0.00 C ATOM 219 O CYS A 16 3.171 8.577 2.369 1.00 0.00 O ATOM 220 CB CYS A 16 1.165 6.872 0.332 1.00 0.00 C ATOM 221 SG CYS A 16 1.564 5.495 -0.788 1.00 0.00 S ATOM 0 HA CYS A 16 1.288 8.849 0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.215 6.474 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.124 7.135 0.144 1.00 0.00 H new ATOM 0 HG CYS A 16 1.245 4.369 -0.222 1.00 0.00 H new ATOM 226 N VAL A 17 4.373 7.758 0.654 1.00 0.00 N ATOM 227 CA VAL A 17 5.693 7.741 1.283 1.00 0.00 C ATOM 228 C VAL A 17 5.927 8.886 2.275 1.00 0.00 C ATOM 229 O VAL A 17 6.418 8.656 3.380 1.00 0.00 O ATOM 230 CB VAL A 17 6.784 7.683 0.191 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.800 8.909 -0.736 1.00 0.00 C ATOM 232 CG2 VAL A 17 8.178 7.496 0.803 1.00 0.00 C ATOM 0 H VAL A 17 4.402 7.400 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 17 5.748 6.841 1.895 1.00 0.00 H new ATOM 0 HB VAL A 17 6.526 6.818 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.592 8.795 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.839 8.994 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.980 9.808 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.923 7.459 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.398 8.331 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.205 6.565 1.369 1.00 0.00 H new ATOM 242 N GLU A 18 5.580 10.118 1.892 1.00 0.00 N ATOM 243 CA GLU A 18 5.877 11.329 2.637 1.00 0.00 C ATOM 244 C GLU A 18 5.453 11.236 4.105 1.00 0.00 C ATOM 245 O GLU A 18 6.074 11.858 4.965 1.00 0.00 O ATOM 246 CB GLU A 18 5.188 12.540 1.983 1.00 0.00 C ATOM 247 CG GLU A 18 5.431 12.693 0.474 1.00 0.00 C ATOM 248 CD GLU A 18 4.330 12.067 -0.378 1.00 0.00 C ATOM 249 OE1 GLU A 18 4.164 10.833 -0.273 1.00 0.00 O ATOM 250 OE2 GLU A 18 3.662 12.828 -1.107 1.00 0.00 O ATOM 0 H GLU A 18 5.069 10.298 1.028 1.00 0.00 H new ATOM 0 HA GLU A 18 6.959 11.454 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.115 12.465 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.529 13.446 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.512 13.752 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.386 12.234 0.218 1.00 0.00 H new ATOM 257 N VAL A 19 4.349 10.535 4.381 1.00 0.00 N ATOM 258 CA VAL A 19 3.633 10.675 5.644 1.00 0.00 C ATOM 259 C VAL A 19 3.950 9.555 6.639 1.00 0.00 C ATOM 260 O VAL A 19 3.606 9.672 7.815 1.00 0.00 O ATOM 261 CB VAL A 19 2.123 10.789 5.361 1.00 0.00 C ATOM 262 CG1 VAL A 19 1.872 11.740 4.179 1.00 0.00 C ATOM 263 CG2 VAL A 19 1.465 9.425 5.103 1.00 0.00 C ATOM 0 H VAL A 19 3.933 9.861 3.739 1.00 0.00 H new ATOM 0 HA VAL A 19 3.975 11.589 6.129 1.00 0.00 H new ATOM 0 HB VAL A 19 1.660 11.198 6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.801 11.811 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.265 12.728 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.372 11.356 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.401 9.565 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.932 8.953 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.594 8.788 5.978 1.00 0.00 H new ATOM 273 N CYS A 20 4.544 8.446 6.185 1.00 0.00 N ATOM 274 CA CYS A 20 4.583 7.231 6.985 1.00 0.00 C ATOM 275 C CYS A 20 5.635 7.325 8.105 1.00 0.00 C ATOM 276 O CYS A 20 6.793 7.638 7.831 1.00 0.00 O ATOM 277 CB CYS A 20 4.807 6.041 6.090 1.00 0.00 C ATOM 278 SG CYS A 20 4.897 4.431 6.919 1.00 0.00 S ATOM 0 H CYS A 20 4.999 8.371 5.275 1.00 0.00 H new ATOM 0 HA CYS A 20 3.621 7.105 7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.001 6.006 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.734 6.196 5.538 1.00 0.00 H new ATOM 0 HG CYS A 20 5.297 3.529 6.073 1.00 0.00 H new ATOM 283 N PRO A 21 5.261 7.061 9.373 1.00 0.00 N ATOM 284 CA PRO A 21 6.192 7.092 10.492 1.00 0.00 C ATOM 285 C PRO A 21 7.336 6.092 10.310 1.00 0.00 C ATOM 286 O PRO A 21 8.488 6.399 10.604 1.00 0.00 O ATOM 287 CB PRO A 21 5.381 6.767 11.755 1.00 0.00 C ATOM 288 CG PRO A 21 3.952 6.467 11.301 1.00 0.00 C ATOM 289 CD PRO A 21 3.906 6.768 9.805 1.00 0.00 C ATOM 0 HA PRO A 21 6.658 8.075 10.564 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.808 5.911 12.278 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.397 7.606 12.451 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.692 5.427 11.497 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.234 7.082 11.844 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.505 5.916 9.255 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.249 7.614 9.605 1.00 0.00 H new ATOM 297 N VAL A 22 6.997 4.879 9.871 1.00 0.00 N ATOM 298 CA VAL A 22 7.923 3.771 9.698 1.00 0.00 C ATOM 299 C VAL A 22 8.072 3.522 8.202 1.00 0.00 C ATOM 300 O VAL A 22 7.639 2.485 7.703 1.00 0.00 O ATOM 301 CB VAL A 22 7.429 2.534 10.477 1.00 0.00 C ATOM 302 CG1 VAL A 22 7.568 2.778 11.985 1.00 0.00 C ATOM 303 CG2 VAL A 22 5.975 2.141 10.160 1.00 0.00 C ATOM 0 H VAL A 22 6.038 4.638 9.619 1.00 0.00 H new ATOM 0 HA VAL A 22 8.906 4.003 10.108 1.00 0.00 H new ATOM 0 HB VAL A 22 8.058 1.703 10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.218 1.901 12.529 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.614 2.962 12.229 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.971 3.644 12.270 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.699 1.264 10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.311 2.968 10.412 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.883 1.913 9.098 1.00 0.00 H new ATOM 313 N ASP A 23 8.650 4.501 7.492 1.00 0.00 N ATOM 314 CA ASP A 23 8.715 4.458 6.038 1.00 0.00 C ATOM 315 C ASP A 23 9.161 3.093 5.527 1.00 0.00 C ATOM 316 O ASP A 23 10.280 2.641 5.772 1.00 0.00 O ATOM 317 CB ASP A 23 9.529 5.574 5.421 1.00 0.00 C ATOM 318 CG ASP A 23 9.621 5.419 3.899 1.00 0.00 C ATOM 319 OD1 ASP A 23 8.720 4.762 3.317 1.00 0.00 O ATOM 320 OD2 ASP A 23 10.610 5.945 3.348 1.00 0.00 O ATOM 0 H ASP A 23 9.077 5.329 7.908 1.00 0.00 H new ATOM 0 HA ASP A 23 7.691 4.625 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.076 6.535 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.531 5.576 5.850 1.00 0.00 H new ATOM 325 N CYS A 24 8.232 2.451 4.835 1.00 0.00 N ATOM 326 CA CYS A 24 8.412 1.209 4.124 1.00 0.00 C ATOM 327 C CYS A 24 7.565 1.264 2.859 1.00 0.00 C ATOM 328 O CYS A 24 7.122 0.222 2.376 1.00 0.00 O ATOM 329 CB CYS A 24 8.018 0.033 5.022 1.00 0.00 C ATOM 330 SG CYS A 24 6.300 0.217 5.567 1.00 0.00 S ATOM 0 H CYS A 24 7.280 2.809 4.754 1.00 0.00 H new ATOM 0 HA CYS A 24 9.456 1.065 3.847 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.138 -0.905 4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.680 -0.012 5.887 1.00 0.00 H new ATOM 0 HG CYS A 24 5.761 -0.958 5.708 1.00 0.00 H new ATOM 336 N ILE A 25 7.341 2.472 2.319 1.00 0.00 N ATOM 337 CA ILE A 25 6.655 2.633 1.046 1.00 0.00 C ATOM 338 C ILE A 25 7.758 2.576 -0.003 1.00 0.00 C ATOM 339 O ILE A 25 8.636 3.436 -0.038 1.00 0.00 O ATOM 340 CB ILE A 25 5.866 3.956 0.960 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.640 4.028 1.886 1.00 0.00 C ATOM 342 CG2 ILE A 25 5.333 4.153 -0.469 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.945 3.868 3.374 1.00 0.00 C ATOM 0 H ILE A 25 7.630 3.349 2.753 1.00 0.00 H new ATOM 0 HA ILE A 25 5.905 1.855 0.903 1.00 0.00 H new ATOM 0 HB ILE A 25 6.577 4.724 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.144 4.986 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.934 3.253 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.777 5.089 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.169 4.186 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.675 3.324 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.018 3.933 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.411 2.898 3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.624 4.659 3.693 1.00 0.00 H new ATOM 355 N HIS A 26 7.747 1.541 -0.835 1.00 0.00 N ATOM 356 CA HIS A 26 8.774 1.290 -1.822 1.00 0.00 C ATOM 357 C HIS A 26 8.128 1.247 -3.200 1.00 0.00 C ATOM 358 O HIS A 26 6.907 1.236 -3.308 1.00 0.00 O ATOM 359 CB HIS A 26 9.393 -0.048 -1.459 1.00 0.00 C ATOM 360 CG HIS A 26 10.016 -0.078 -0.086 1.00 0.00 C ATOM 361 ND1 HIS A 26 10.990 0.774 0.384 1.00 0.00 N ATOM 362 CD2 HIS A 26 9.652 -0.902 0.944 1.00 0.00 C ATOM 363 CE1 HIS A 26 11.228 0.443 1.664 1.00 0.00 C ATOM 364 NE2 HIS A 26 10.443 -0.576 2.049 1.00 0.00 N ATOM 0 H HIS A 26 7.005 0.841 -0.837 1.00 0.00 H new ATOM 0 HA HIS A 26 9.540 2.066 -1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.626 -0.820 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.154 -0.298 -2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.890 -1.667 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.953 0.931 2.298 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.427 -1.023 2.966 1.00 0.00 H new ATOM 372 N GLU A 27 8.932 1.209 -4.260 1.00 0.00 N ATOM 373 CA GLU A 27 8.422 1.190 -5.619 1.00 0.00 C ATOM 374 C GLU A 27 8.399 -0.245 -6.134 1.00 0.00 C ATOM 375 O GLU A 27 9.243 -1.051 -5.737 1.00 0.00 O ATOM 376 CB GLU A 27 9.300 2.070 -6.524 1.00 0.00 C ATOM 377 CG GLU A 27 9.881 3.291 -5.797 1.00 0.00 C ATOM 378 CD GLU A 27 10.466 4.298 -6.778 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.586 4.026 -7.259 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.784 5.316 -7.032 1.00 0.00 O ATOM 0 H GLU A 27 9.950 1.191 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 27 7.407 1.588 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.117 1.469 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.709 2.409 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.100 3.769 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.655 2.967 -5.101 1.00 0.00 H new ATOM 387 N GLY A 28 7.461 -0.562 -7.027 1.00 0.00 N ATOM 388 CA GLY A 28 7.530 -1.778 -7.828 1.00 0.00 C ATOM 389 C GLY A 28 7.563 -1.472 -9.319 1.00 0.00 C ATOM 390 O GLY A 28 8.193 -0.508 -9.744 1.00 0.00 O ATOM 0 H GLY A 28 6.640 0.014 -7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.420 -2.344 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.670 -2.409 -7.605 1.00 0.00 H new ATOM 394 N GLU A 29 6.917 -2.330 -10.111 1.00 0.00 N ATOM 395 CA GLU A 29 6.994 -2.343 -11.553 1.00 0.00 C ATOM 396 C GLU A 29 6.428 -1.049 -12.134 1.00 0.00 C ATOM 397 O GLU A 29 7.130 -0.276 -12.781 1.00 0.00 O ATOM 398 CB GLU A 29 6.213 -3.570 -12.055 1.00 0.00 C ATOM 399 CG GLU A 29 6.757 -4.900 -11.502 1.00 0.00 C ATOM 400 CD GLU A 29 6.093 -5.369 -10.213 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.486 -4.537 -9.498 1.00 0.00 O ATOM 402 OE2 GLU A 29 6.196 -6.578 -9.919 1.00 0.00 O ATOM 0 H GLU A 29 6.306 -3.058 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 29 8.032 -2.409 -11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.165 -3.467 -11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.248 -3.595 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.633 -5.672 -12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.828 -4.795 -11.327 1.00 0.00 H new ATOM 409 N ASP A 30 5.131 -0.861 -11.904 1.00 0.00 N ATOM 410 CA ASP A 30 4.366 0.318 -12.262 1.00 0.00 C ATOM 411 C ASP A 30 4.166 1.151 -10.996 1.00 0.00 C ATOM 412 O ASP A 30 4.643 2.278 -10.884 1.00 0.00 O ATOM 413 CB ASP A 30 3.029 -0.161 -12.848 1.00 0.00 C ATOM 414 CG ASP A 30 2.015 0.968 -12.911 1.00 0.00 C ATOM 415 OD1 ASP A 30 1.350 1.157 -11.871 1.00 0.00 O ATOM 416 OD2 ASP A 30 1.920 1.607 -13.978 1.00 0.00 O ATOM 0 H ASP A 30 4.561 -1.567 -11.438 1.00 0.00 H new ATOM 0 HA ASP A 30 4.872 0.937 -13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.191 -0.562 -13.848 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.633 -0.974 -12.239 1.00 0.00 H new ATOM 421 N GLN A 31 3.448 0.557 -10.046 1.00 0.00 N ATOM 422 CA GLN A 31 2.951 1.232 -8.864 1.00 0.00 C ATOM 423 C GLN A 31 3.942 1.132 -7.708 1.00 0.00 C ATOM 424 O GLN A 31 5.007 0.520 -7.821 1.00 0.00 O ATOM 425 CB GLN A 31 1.583 0.639 -8.502 1.00 0.00 C ATOM 426 CG GLN A 31 1.656 -0.854 -8.162 1.00 0.00 C ATOM 427 CD GLN A 31 0.440 -1.475 -7.472 1.00 0.00 C ATOM 428 OE1 GLN A 31 -0.460 -0.684 -6.898 1.00 0.00 O flip ATOM 429 NE2 GLN A 31 0.308 -2.695 -7.449 1.00 0.00 N flip ATOM 0 H GLN A 31 3.193 -0.430 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 31 2.834 2.296 -9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.170 1.181 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.897 0.784 -9.336 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.836 -1.402 -9.087 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.525 -1.013 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.006 -3.292 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.499 -3.112 -6.986 1.00 0.00 H new ATOM 438 N TYR A 32 3.543 1.691 -6.568 1.00 0.00 N ATOM 439 CA TYR A 32 4.274 1.594 -5.322 1.00 0.00 C ATOM 440 C TYR A 32 3.656 0.489 -4.467 1.00 0.00 C ATOM 441 O TYR A 32 2.523 0.075 -4.695 1.00 0.00 O ATOM 442 CB TYR A 32 4.242 2.950 -4.601 1.00 0.00 C ATOM 443 CG TYR A 32 5.026 4.043 -5.304 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.587 4.559 -6.541 1.00 0.00 C ATOM 445 CD2 TYR A 32 6.238 4.501 -4.756 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.431 5.388 -7.299 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.042 5.395 -5.483 1.00 0.00 C ATOM 448 CZ TYR A 32 6.686 5.757 -6.791 1.00 0.00 C ATOM 449 OH TYR A 32 7.522 6.532 -7.538 1.00 0.00 O ATOM 0 H TYR A 32 2.683 2.234 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 32 5.317 1.340 -5.511 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.205 3.270 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.639 2.823 -3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.600 4.316 -6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.550 4.166 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.115 5.740 -8.270 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.935 5.804 -5.034 1.00 0.00 H new ATOM 0 HH TYR A 32 8.452 6.308 -7.326 1.00 0.00 H new ATOM 459 N TYR A 33 4.440 -0.014 -3.517 1.00 0.00 N ATOM 460 CA TYR A 33 4.083 -1.073 -2.583 1.00 0.00 C ATOM 461 C TYR A 33 4.491 -0.630 -1.176 1.00 0.00 C ATOM 462 O TYR A 33 5.176 0.376 -1.004 1.00 0.00 O ATOM 463 CB TYR A 33 4.831 -2.366 -2.934 1.00 0.00 C ATOM 464 CG TYR A 33 4.491 -2.987 -4.278 1.00 0.00 C ATOM 465 CD1 TYR A 33 4.768 -2.315 -5.481 1.00 0.00 C ATOM 466 CD2 TYR A 33 3.888 -4.256 -4.325 1.00 0.00 C ATOM 467 CE1 TYR A 33 4.311 -2.836 -6.702 1.00 0.00 C ATOM 468 CE2 TYR A 33 3.449 -4.788 -5.547 1.00 0.00 C ATOM 469 CZ TYR A 33 3.659 -4.075 -6.737 1.00 0.00 C ATOM 470 OH TYR A 33 3.460 -4.708 -7.927 1.00 0.00 O ATOM 0 H TYR A 33 5.391 0.325 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 33 3.010 -1.260 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.901 -2.161 -2.911 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.630 -3.101 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.334 -1.395 -5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.762 -4.825 -3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.462 -2.280 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.950 -5.745 -5.572 1.00 0.00 H new ATOM 0 HH TYR A 33 4.038 -4.309 -8.610 1.00 0.00 H new ATOM 480 N ILE A 34 4.091 -1.412 -0.177 1.00 0.00 N ATOM 481 CA ILE A 34 4.335 -1.177 1.244 1.00 0.00 C ATOM 482 C ILE A 34 4.792 -2.517 1.822 1.00 0.00 C ATOM 483 O ILE A 34 4.325 -3.539 1.327 1.00 0.00 O ATOM 484 CB ILE A 34 3.022 -0.723 1.929 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.465 0.559 1.284 1.00 0.00 C ATOM 486 CG2 ILE A 34 3.241 -0.477 3.438 1.00 0.00 C ATOM 487 CD1 ILE A 34 0.997 0.852 1.614 1.00 0.00 C ATOM 0 H ILE A 34 3.562 -2.268 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 34 5.083 -0.400 1.403 1.00 0.00 H new ATOM 0 HB ILE A 34 2.299 -1.528 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.072 1.405 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.572 0.482 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.304 -0.159 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.581 -1.398 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.993 0.300 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.689 1.773 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.374 0.027 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.882 0.965 2.692 1.00 0.00 H new ATOM 499 N ASP A 35 5.644 -2.556 2.859 1.00 0.00 N ATOM 500 CA ASP A 35 5.774 -3.759 3.679 1.00 0.00 C ATOM 501 C ASP A 35 4.804 -3.722 4.870 1.00 0.00 C ATOM 502 O ASP A 35 5.101 -3.064 5.872 1.00 0.00 O ATOM 503 CB ASP A 35 7.200 -4.048 4.170 1.00 0.00 C ATOM 504 CG ASP A 35 7.267 -5.465 4.748 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.204 -6.107 4.929 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.383 -5.990 4.951 1.00 0.00 O ATOM 0 H ASP A 35 6.242 -1.779 3.142 1.00 0.00 H new ATOM 0 HA ASP A 35 5.514 -4.581 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.907 -3.947 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.489 -3.321 4.929 1.00 0.00 H new ATOM 511 N PRO A 36 3.664 -4.432 4.821 1.00 0.00 N ATOM 512 CA PRO A 36 2.725 -4.434 5.928 1.00 0.00 C ATOM 513 C PRO A 36 3.314 -4.965 7.223 1.00 0.00 C ATOM 514 O PRO A 36 2.765 -4.686 8.284 1.00 0.00 O ATOM 515 CB PRO A 36 1.546 -5.306 5.518 1.00 0.00 C ATOM 516 CG PRO A 36 2.096 -6.151 4.364 1.00 0.00 C ATOM 517 CD PRO A 36 3.187 -5.286 3.744 1.00 0.00 C ATOM 0 HA PRO A 36 2.433 -3.403 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.205 -5.931 6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.695 -4.704 5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.497 -7.099 4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.317 -6.388 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.994 -5.899 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.796 -4.693 2.917 1.00 0.00 H new ATOM 525 N ASP A 37 4.377 -5.768 7.168 1.00 0.00 N ATOM 526 CA ASP A 37 4.945 -6.330 8.355 1.00 0.00 C ATOM 527 C ASP A 37 5.779 -5.276 9.090 1.00 0.00 C ATOM 528 O ASP A 37 6.006 -5.399 10.291 1.00 0.00 O ATOM 529 CB ASP A 37 5.740 -7.532 7.913 1.00 0.00 C ATOM 530 CG ASP A 37 4.923 -8.644 7.260 1.00 0.00 C ATOM 531 OD1 ASP A 37 3.682 -8.708 7.434 1.00 0.00 O ATOM 532 OD2 ASP A 37 5.571 -9.419 6.524 1.00 0.00 O ATOM 0 H ASP A 37 4.850 -6.034 6.304 1.00 0.00 H new ATOM 0 HA ASP A 37 4.190 -6.647 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.505 -7.204 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.259 -7.944 8.779 1.00 0.00 H new ATOM 537 N VAL A 38 6.229 -4.238 8.371 1.00 0.00 N ATOM 538 CA VAL A 38 6.864 -3.072 8.965 1.00 0.00 C ATOM 539 C VAL A 38 5.788 -2.083 9.417 1.00 0.00 C ATOM 540 O VAL A 38 5.835 -1.602 10.548 1.00 0.00 O ATOM 541 CB VAL A 38 7.836 -2.427 7.965 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.284 -1.053 8.479 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.048 -3.336 7.730 1.00 0.00 C ATOM 0 H VAL A 38 6.158 -4.192 7.355 1.00 0.00 H new ATOM 0 HA VAL A 38 7.443 -3.374 9.837 1.00 0.00 H new ATOM 0 HB VAL A 38 7.322 -2.293 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.973 -0.604 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.414 -0.408 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.785 -1.170 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.725 -2.863 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.569 -3.499 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.713 -4.293 7.330 1.00 0.00 H new ATOM 553 N CYS A 39 4.850 -1.742 8.525 1.00 0.00 N ATOM 554 CA CYS A 39 3.740 -0.850 8.839 1.00 0.00 C ATOM 555 C CYS A 39 3.058 -1.279 10.149 1.00 0.00 C ATOM 556 O CYS A 39 2.672 -2.432 10.320 1.00 0.00 O ATOM 557 CB CYS A 39 2.759 -0.883 7.706 1.00 0.00 C ATOM 558 SG CYS A 39 1.170 -0.067 8.030 1.00 0.00 S ATOM 0 H CYS A 39 4.844 -2.081 7.563 1.00 0.00 H new ATOM 0 HA CYS A 39 4.114 0.165 8.972 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.218 -0.414 6.836 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.567 -1.923 7.444 1.00 0.00 H new ATOM 0 HG CYS A 39 0.690 0.406 6.918 1.00 0.00 H new ATOM 563 N ILE A 40 2.919 -0.354 11.097 1.00 0.00 N ATOM 564 CA ILE A 40 2.516 -0.679 12.461 1.00 0.00 C ATOM 565 C ILE A 40 0.993 -0.750 12.646 1.00 0.00 C ATOM 566 O ILE A 40 0.513 -0.484 13.745 1.00 0.00 O ATOM 567 CB ILE A 40 3.206 0.286 13.448 1.00 0.00 C ATOM 568 CG1 ILE A 40 2.981 1.790 13.178 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.707 -0.027 13.516 1.00 0.00 C ATOM 570 CD1 ILE A 40 1.872 2.351 14.070 1.00 0.00 C ATOM 0 H ILE A 40 3.083 0.640 10.940 1.00 0.00 H new ATOM 0 HA ILE A 40 2.855 -1.691 12.682 1.00 0.00 H new ATOM 0 HB ILE A 40 2.725 0.106 14.409 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.907 2.337 13.356 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.719 1.939 12.130 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.190 0.657 14.214 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.850 -1.053 13.856 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.149 0.092 12.527 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.736 3.411 13.858 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.942 1.819 13.872 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.147 2.223 15.117 1.00 0.00 H new ATOM 582 N ASP A 41 0.218 -1.108 11.610 1.00 0.00 N ATOM 583 CA ASP A 41 -1.243 -0.962 11.644 1.00 0.00 C ATOM 584 C ASP A 41 -1.658 0.420 12.153 1.00 0.00 C ATOM 585 O ASP A 41 -2.504 0.567 13.035 1.00 0.00 O ATOM 586 CB ASP A 41 -1.913 -2.116 12.410 1.00 0.00 C ATOM 587 CG ASP A 41 -2.158 -3.300 11.502 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.765 -3.105 10.424 1.00 0.00 O ATOM 589 OD2 ASP A 41 -1.703 -4.412 11.827 1.00 0.00 O ATOM 0 H ASP A 41 0.580 -1.500 10.740 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.609 -1.030 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.281 -2.418 13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.858 -1.776 12.833 1.00 0.00 H new ATOM 594 N CYS A 42 -1.062 1.442 11.537 1.00 0.00 N ATOM 595 CA CYS A 42 -1.510 2.820 11.651 1.00 0.00 C ATOM 596 C CYS A 42 -2.503 3.094 10.510 1.00 0.00 C ATOM 597 O CYS A 42 -2.845 2.173 9.774 1.00 0.00 O ATOM 598 CB CYS A 42 -0.297 3.728 11.731 1.00 0.00 C ATOM 599 SG CYS A 42 0.018 4.940 10.427 1.00 0.00 S ATOM 0 H CYS A 42 -0.244 1.328 10.938 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.062 3.025 12.569 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.364 4.275 12.671 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.583 3.088 11.797 1.00 0.00 H new ATOM 0 HG CYS A 42 1.101 5.603 10.703 1.00 0.00 H new ATOM 604 N GLY A 43 -2.986 4.329 10.373 1.00 0.00 N ATOM 605 CA GLY A 43 -3.757 4.764 9.216 1.00 0.00 C ATOM 606 C GLY A 43 -2.977 5.854 8.483 1.00 0.00 C ATOM 607 O GLY A 43 -1.868 5.620 7.995 1.00 0.00 O ATOM 0 H GLY A 43 -2.850 5.060 11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.945 3.922 8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.729 5.143 9.532 1.00 0.00 H new ATOM 611 N ALA A 44 -3.551 7.061 8.437 1.00 0.00 N ATOM 612 CA ALA A 44 -2.961 8.274 7.878 1.00 0.00 C ATOM 613 C ALA A 44 -2.811 8.189 6.354 1.00 0.00 C ATOM 614 O ALA A 44 -3.543 8.860 5.624 1.00 0.00 O ATOM 615 CB ALA A 44 -1.648 8.633 8.590 1.00 0.00 C ATOM 0 H ALA A 44 -4.487 7.222 8.808 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.652 9.096 8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.233 9.540 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.842 8.798 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.936 7.816 8.474 1.00 0.00 H new ATOM 621 N CYS A 45 -1.886 7.349 5.881 1.00 0.00 N ATOM 622 CA CYS A 45 -1.630 7.125 4.464 1.00 0.00 C ATOM 623 C CYS A 45 -2.947 6.794 3.742 1.00 0.00 C ATOM 624 O CYS A 45 -3.303 7.428 2.751 1.00 0.00 O ATOM 625 CB CYS A 45 -0.544 6.087 4.297 1.00 0.00 C ATOM 626 SG CYS A 45 -0.922 4.408 4.858 1.00 0.00 S ATOM 0 H CYS A 45 -1.283 6.796 6.490 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.251 8.030 3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.279 6.040 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.340 6.432 4.832 1.00 0.00 H new ATOM 0 HG CYS A 45 -1.339 4.445 6.089 1.00 0.00 H new ATOM 631 N GLU A 46 -3.715 5.879 4.336 1.00 0.00 N ATOM 632 CA GLU A 46 -5.114 5.557 4.068 1.00 0.00 C ATOM 633 C GLU A 46 -5.940 6.761 3.585 1.00 0.00 C ATOM 634 O GLU A 46 -6.680 6.665 2.600 1.00 0.00 O ATOM 635 CB GLU A 46 -5.670 5.018 5.395 1.00 0.00 C ATOM 636 CG GLU A 46 -7.132 4.556 5.369 1.00 0.00 C ATOM 637 CD GLU A 46 -7.679 4.523 6.793 1.00 0.00 C ATOM 638 OE1 GLU A 46 -7.897 5.635 7.323 1.00 0.00 O ATOM 639 OE2 GLU A 46 -7.816 3.409 7.347 1.00 0.00 O ATOM 0 H GLU A 46 -3.339 5.294 5.082 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.179 4.834 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.050 4.180 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.568 5.795 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.727 5.231 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.204 3.567 4.917 1.00 0.00 H new ATOM 646 N ALA A 47 -5.865 7.870 4.332 1.00 0.00 N ATOM 647 CA ALA A 47 -6.725 9.028 4.153 1.00 0.00 C ATOM 648 C ALA A 47 -6.157 9.968 3.093 1.00 0.00 C ATOM 649 O ALA A 47 -6.910 10.525 2.299 1.00 0.00 O ATOM 650 CB ALA A 47 -6.895 9.756 5.491 1.00 0.00 C ATOM 0 H ALA A 47 -5.190 7.981 5.089 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.702 8.691 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.540 10.624 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.345 9.080 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.920 10.082 5.854 1.00 0.00 H new ATOM 656 N VAL A 48 -4.838 10.184 3.107 1.00 0.00 N ATOM 657 CA VAL A 48 -4.206 11.125 2.185 1.00 0.00 C ATOM 658 C VAL A 48 -4.018 10.524 0.790 1.00 0.00 C ATOM 659 O VAL A 48 -3.921 11.286 -0.172 1.00 0.00 O ATOM 660 CB VAL A 48 -2.897 11.698 2.753 1.00 0.00 C ATOM 661 CG1 VAL A 48 -3.135 12.362 4.115 1.00 0.00 C ATOM 662 CG2 VAL A 48 -1.799 10.635 2.843 1.00 0.00 C ATOM 0 H VAL A 48 -4.191 9.720 3.745 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.891 11.965 2.072 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.549 12.462 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.194 12.759 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.853 13.174 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.527 11.625 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.892 11.082 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.128 9.826 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.594 10.238 1.849 1.00 0.00 H new ATOM 672 N CYS A 49 -3.965 9.190 0.663 1.00 0.00 N ATOM 673 CA CYS A 49 -3.913 8.534 -0.638 1.00 0.00 C ATOM 674 C CYS A 49 -5.044 9.088 -1.524 1.00 0.00 C ATOM 675 O CYS A 49 -6.211 8.910 -1.173 1.00 0.00 O ATOM 676 CB CYS A 49 -4.059 7.039 -0.495 1.00 0.00 C ATOM 677 SG CYS A 49 -4.130 6.217 -2.103 1.00 0.00 S ATOM 0 H CYS A 49 -3.957 8.547 1.455 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.945 8.736 -1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.220 6.645 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.964 6.814 0.069 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.444 5.113 -2.057 1.00 0.00 H new ATOM 682 N PRO A 50 -4.749 9.767 -2.650 1.00 0.00 N ATOM 683 CA PRO A 50 -5.748 10.460 -3.455 1.00 0.00 C ATOM 684 C PRO A 50 -6.972 9.609 -3.796 1.00 0.00 C ATOM 685 O PRO A 50 -8.085 10.125 -3.864 1.00 0.00 O ATOM 686 CB PRO A 50 -5.016 10.908 -4.722 1.00 0.00 C ATOM 687 CG PRO A 50 -3.586 11.116 -4.230 1.00 0.00 C ATOM 688 CD PRO A 50 -3.417 10.017 -3.183 1.00 0.00 C ATOM 0 HA PRO A 50 -6.159 11.297 -2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.068 10.154 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.440 11.825 -5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.863 11.016 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.448 12.108 -3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.998 9.114 -3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.733 10.330 -2.394 1.00 0.00 H new ATOM 696 N VAL A 51 -6.759 8.314 -4.039 1.00 0.00 N ATOM 697 CA VAL A 51 -7.812 7.378 -4.409 1.00 0.00 C ATOM 698 C VAL A 51 -8.363 6.659 -3.170 1.00 0.00 C ATOM 699 O VAL A 51 -9.456 6.098 -3.222 1.00 0.00 O ATOM 700 CB VAL A 51 -7.255 6.386 -5.448 1.00 0.00 C ATOM 701 CG1 VAL A 51 -8.365 5.509 -6.045 1.00 0.00 C ATOM 702 CG2 VAL A 51 -6.570 7.129 -6.604 1.00 0.00 C ATOM 0 H VAL A 51 -5.836 7.884 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.647 7.919 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.536 5.759 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.934 4.822 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.846 4.940 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.104 6.142 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.185 6.406 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.292 7.782 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.746 7.727 -6.215 1.00 0.00 H new ATOM 712 N SER A 52 -7.609 6.638 -2.065 1.00 0.00 N ATOM 713 CA SER A 52 -7.808 5.707 -0.964 1.00 0.00 C ATOM 714 C SER A 52 -7.819 4.276 -1.512 1.00 0.00 C ATOM 715 O SER A 52 -8.844 3.599 -1.529 1.00 0.00 O ATOM 716 CB SER A 52 -9.023 6.087 -0.120 1.00 0.00 C ATOM 717 OG SER A 52 -8.955 5.473 1.156 1.00 0.00 O ATOM 0 H SER A 52 -6.832 7.281 -1.915 1.00 0.00 H new ATOM 0 HA SER A 52 -6.976 5.764 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.070 7.170 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.937 5.780 -0.629 1.00 0.00 H new ATOM 0 HG SER A 52 -8.204 5.850 1.661 1.00 0.00 H new ATOM 723 N ALA A 53 -6.653 3.849 -2.002 1.00 0.00 N ATOM 724 CA ALA A 53 -6.359 2.520 -2.522 1.00 0.00 C ATOM 725 C ALA A 53 -5.698 1.651 -1.449 1.00 0.00 C ATOM 726 O ALA A 53 -5.698 0.424 -1.545 1.00 0.00 O ATOM 727 CB ALA A 53 -5.412 2.666 -3.718 1.00 0.00 C ATOM 0 H ALA A 53 -5.841 4.464 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.288 2.038 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.180 1.680 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.890 3.270 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.491 3.152 -3.396 1.00 0.00 H new ATOM 733 N ILE A 54 -5.093 2.292 -0.449 1.00 0.00 N ATOM 734 CA ILE A 54 -4.391 1.630 0.633 1.00 0.00 C ATOM 735 C ILE A 54 -5.432 1.003 1.560 1.00 0.00 C ATOM 736 O ILE A 54 -6.146 1.723 2.256 1.00 0.00 O ATOM 737 CB ILE A 54 -3.497 2.658 1.352 1.00 0.00 C ATOM 738 CG1 ILE A 54 -2.475 3.254 0.372 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.803 2.027 2.562 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.586 4.324 1.018 1.00 0.00 C ATOM 0 H ILE A 54 -5.081 3.309 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.740 0.835 0.269 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.127 3.468 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.847 2.455 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.003 3.690 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.178 2.773 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.554 1.664 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.183 1.194 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.884 4.709 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.208 5.140 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.033 3.885 1.849 1.00 0.00 H new ATOM 752 N TYR A 55 -5.543 -0.327 1.547 1.00 0.00 N ATOM 753 CA TYR A 55 -6.538 -1.070 2.296 1.00 0.00 C ATOM 754 C TYR A 55 -5.876 -2.097 3.199 1.00 0.00 C ATOM 755 O TYR A 55 -4.798 -2.612 2.909 1.00 0.00 O ATOM 756 CB TYR A 55 -7.517 -1.748 1.340 1.00 0.00 C ATOM 757 CG TYR A 55 -8.387 -0.850 0.477 1.00 0.00 C ATOM 758 CD1 TYR A 55 -8.871 0.385 0.954 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.778 -1.297 -0.798 1.00 0.00 C ATOM 760 CE1 TYR A 55 -9.638 1.209 0.114 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.556 -0.479 -1.632 1.00 0.00 C ATOM 762 CZ TYR A 55 -9.944 0.794 -1.193 1.00 0.00 C ATOM 763 OH TYR A 55 -10.577 1.639 -2.051 1.00 0.00 O ATOM 0 H TYR A 55 -4.924 -0.925 0.999 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.090 -0.372 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.946 -2.399 0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.174 -2.388 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.652 0.697 1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.477 -2.277 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.993 2.163 0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.855 -0.830 -2.609 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.116 2.504 -2.058 1.00 0.00 H new ATOM 773 N HIS A 56 -6.527 -2.395 4.320 1.00 0.00 N ATOM 774 CA HIS A 56 -5.991 -3.335 5.279 1.00 0.00 C ATOM 775 C HIS A 56 -6.101 -4.753 4.722 1.00 0.00 C ATOM 776 O HIS A 56 -7.106 -5.095 4.098 1.00 0.00 O ATOM 777 CB HIS A 56 -6.738 -3.167 6.606 1.00 0.00 C ATOM 778 CG HIS A 56 -6.125 -3.983 7.714 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.571 -5.203 8.167 1.00 0.00 N ATOM 780 CD2 HIS A 56 -4.887 -3.773 8.253 1.00 0.00 C ATOM 781 CE1 HIS A 56 -5.601 -5.727 8.935 1.00 0.00 C ATOM 782 NE2 HIS A 56 -4.541 -4.903 9.003 1.00 0.00 N ATOM 0 H HIS A 56 -7.428 -1.994 4.580 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.934 -3.143 5.463 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.738 -2.115 6.890 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.779 -3.461 6.474 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.473 -5.631 7.958 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.281 -2.889 8.123 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.665 -6.684 9.432 1.00 0.00 H new ATOM 790 N GLU A 57 -5.083 -5.583 4.959 1.00 0.00 N ATOM 791 CA GLU A 57 -4.982 -6.938 4.445 1.00 0.00 C ATOM 792 C GLU A 57 -6.240 -7.787 4.663 1.00 0.00 C ATOM 793 O GLU A 57 -6.532 -8.678 3.863 1.00 0.00 O ATOM 794 CB GLU A 57 -3.739 -7.577 5.072 1.00 0.00 C ATOM 795 CG GLU A 57 -3.712 -7.600 6.596 1.00 0.00 C ATOM 796 CD GLU A 57 -2.335 -8.012 7.091 1.00 0.00 C ATOM 797 OE1 GLU A 57 -1.911 -9.134 6.751 1.00 0.00 O ATOM 798 OE2 GLU A 57 -1.669 -7.182 7.741 1.00 0.00 O ATOM 0 H GLU A 57 -4.284 -5.316 5.533 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.888 -6.892 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.656 -8.601 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.858 -7.041 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.967 -6.615 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.464 -8.295 6.970 1.00 0.00 H new ATOM 805 N ASP A 58 -7.001 -7.505 5.719 1.00 0.00 N ATOM 806 CA ASP A 58 -8.257 -8.172 6.016 1.00 0.00 C ATOM 807 C ASP A 58 -9.330 -7.732 5.022 1.00 0.00 C ATOM 808 O ASP A 58 -9.900 -8.564 4.316 1.00 0.00 O ATOM 809 CB ASP A 58 -8.684 -7.853 7.448 1.00 0.00 C ATOM 810 CG ASP A 58 -9.953 -8.619 7.785 1.00 0.00 C ATOM 811 OD1 ASP A 58 -11.030 -8.074 7.463 1.00 0.00 O ATOM 812 OD2 ASP A 58 -9.814 -9.731 8.333 1.00 0.00 O ATOM 0 H ASP A 58 -6.752 -6.791 6.403 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.125 -9.250 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.889 -8.122 8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.854 -6.782 7.557 1.00 0.00 H new ATOM 817 N PHE A 59 -9.540 -6.415 4.936 1.00 0.00 N ATOM 818 CA PHE A 59 -10.540 -5.745 4.144 1.00 0.00 C ATOM 819 C PHE A 59 -10.301 -6.013 2.665 1.00 0.00 C ATOM 820 O PHE A 59 -11.239 -6.077 1.874 1.00 0.00 O ATOM 821 CB PHE A 59 -10.390 -4.247 4.412 1.00 0.00 C ATOM 822 CG PHE A 59 -10.584 -3.730 5.829 1.00 0.00 C ATOM 823 CD1 PHE A 59 -10.978 -4.572 6.890 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.342 -2.366 6.083 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.044 -4.070 8.201 1.00 0.00 C ATOM 826 CE2 PHE A 59 -10.418 -1.862 7.392 1.00 0.00 C ATOM 827 CZ PHE A 59 -10.754 -2.718 8.454 1.00 0.00 C ATOM 0 H PHE A 59 -8.967 -5.754 5.461 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.537 -6.101 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.392 -3.953 4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -11.100 -3.725 3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.229 -5.604 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -10.096 -1.703 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.318 -4.724 9.016 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.218 -0.818 7.582 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.789 -2.338 9.464 1.00 0.00 H new ATOM 837 N VAL A 60 -9.023 -6.126 2.298 1.00 0.00 N ATOM 838 CA VAL A 60 -8.608 -6.432 0.937 1.00 0.00 C ATOM 839 C VAL A 60 -9.406 -7.631 0.407 1.00 0.00 C ATOM 840 O VAL A 60 -9.499 -8.650 1.093 1.00 0.00 O ATOM 841 CB VAL A 60 -7.087 -6.663 0.935 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.532 -7.499 -0.231 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.487 -5.267 0.848 1.00 0.00 C ATOM 0 H VAL A 60 -8.244 -6.006 2.946 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.819 -5.603 0.261 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.831 -7.237 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.451 -7.595 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.988 -8.489 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.763 -7.006 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.399 -5.338 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.825 -4.782 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.807 -4.679 1.709 1.00 0.00 H new ATOM 853 N PRO A 61 -9.971 -7.545 -0.805 1.00 0.00 N ATOM 854 CA PRO A 61 -10.767 -8.624 -1.361 1.00 0.00 C ATOM 855 C PRO A 61 -9.902 -9.860 -1.613 1.00 0.00 C ATOM 856 O PRO A 61 -8.693 -9.755 -1.810 1.00 0.00 O ATOM 857 CB PRO A 61 -11.367 -8.077 -2.658 1.00 0.00 C ATOM 858 CG PRO A 61 -10.441 -6.924 -3.050 1.00 0.00 C ATOM 859 CD PRO A 61 -9.849 -6.430 -1.728 1.00 0.00 C ATOM 0 HA PRO A 61 -11.553 -8.943 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.400 -8.842 -3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.390 -7.732 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.660 -7.259 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.990 -6.131 -3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.807 -6.135 -1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.386 -5.556 -1.360 1.00 0.00 H new ATOM 867 N GLU A 62 -10.531 -11.037 -1.627 1.00 0.00 N ATOM 868 CA GLU A 62 -9.865 -12.312 -1.855 1.00 0.00 C ATOM 869 C GLU A 62 -8.970 -12.259 -3.101 1.00 0.00 C ATOM 870 O GLU A 62 -7.851 -12.764 -3.089 1.00 0.00 O ATOM 871 CB GLU A 62 -10.922 -13.418 -1.933 1.00 0.00 C ATOM 872 CG GLU A 62 -10.296 -14.809 -1.813 1.00 0.00 C ATOM 873 CD GLU A 62 -11.379 -15.877 -1.784 1.00 0.00 C ATOM 874 OE1 GLU A 62 -11.991 -16.023 -0.705 1.00 0.00 O ATOM 875 OE2 GLU A 62 -11.591 -16.500 -2.845 1.00 0.00 O ATOM 0 H GLU A 62 -11.536 -11.128 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.199 -12.534 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.654 -13.279 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.460 -13.341 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.624 -14.986 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.695 -14.867 -0.906 1.00 0.00 H new ATOM 882 N GLU A 63 -9.435 -11.580 -4.153 1.00 0.00 N ATOM 883 CA GLU A 63 -8.647 -11.342 -5.355 1.00 0.00 C ATOM 884 C GLU A 63 -7.266 -10.759 -5.008 1.00 0.00 C ATOM 885 O GLU A 63 -6.238 -11.193 -5.529 1.00 0.00 O ATOM 886 CB GLU A 63 -9.442 -10.422 -6.290 1.00 0.00 C ATOM 887 CG GLU A 63 -8.806 -10.319 -7.681 1.00 0.00 C ATOM 888 CD GLU A 63 -9.518 -9.319 -8.577 1.00 0.00 C ATOM 889 OE1 GLU A 63 -10.761 -9.243 -8.481 1.00 0.00 O ATOM 890 OE2 GLU A 63 -8.784 -8.634 -9.326 1.00 0.00 O ATOM 0 H GLU A 63 -10.373 -11.180 -4.190 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.460 -12.286 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.461 -10.797 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.508 -9.428 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.761 -10.029 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.819 -11.300 -8.156 1.00 0.00 H new ATOM 897 N TRP A 64 -7.246 -9.757 -4.124 1.00 0.00 N ATOM 898 CA TRP A 64 -6.079 -8.936 -3.834 1.00 0.00 C ATOM 899 C TRP A 64 -5.327 -9.379 -2.581 1.00 0.00 C ATOM 900 O TRP A 64 -4.230 -8.882 -2.336 1.00 0.00 O ATOM 901 CB TRP A 64 -6.461 -7.449 -3.941 1.00 0.00 C ATOM 902 CG TRP A 64 -6.959 -7.074 -5.321 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.649 -7.741 -6.462 1.00 0.00 C ATOM 904 CD2 TRP A 64 -7.923 -6.050 -5.736 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.419 -7.287 -7.501 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.221 -6.251 -7.117 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.610 -4.994 -5.097 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.172 -5.502 -7.814 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.515 -4.181 -5.811 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.826 -4.462 -7.152 1.00 0.00 C ATOM 0 H TRP A 64 -8.066 -9.492 -3.579 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.312 -9.090 -4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.233 -7.222 -3.206 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.595 -6.836 -3.692 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.903 -8.518 -6.540 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.396 -7.675 -8.444 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.440 -4.806 -4.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.397 -5.724 -8.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.973 -3.334 -5.322 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.570 -3.874 -7.670 1.00 0.00 H new ATOM 921 N LYS A 65 -5.784 -10.432 -1.891 1.00 0.00 N ATOM 922 CA LYS A 65 -4.880 -11.234 -1.063 1.00 0.00 C ATOM 923 C LYS A 65 -3.591 -11.552 -1.843 1.00 0.00 C ATOM 924 O LYS A 65 -2.505 -11.577 -1.260 1.00 0.00 O ATOM 925 CB LYS A 65 -5.558 -12.524 -0.586 1.00 0.00 C ATOM 926 CG LYS A 65 -6.076 -12.453 0.851 1.00 0.00 C ATOM 927 CD LYS A 65 -7.016 -11.268 1.086 1.00 0.00 C ATOM 928 CE LYS A 65 -7.662 -11.432 2.465 1.00 0.00 C ATOM 929 NZ LYS A 65 -8.433 -10.241 2.866 1.00 0.00 N ATOM 0 H LYS A 65 -6.756 -10.743 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.622 -10.652 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.390 -12.754 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.849 -13.348 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.600 -13.379 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.230 -12.380 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.464 -10.330 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.781 -11.231 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.319 -12.301 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.887 -11.627 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.087 -10.493 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.781 -9.501 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.975 -9.888 2.052 1.00 0.00 H new ATOM 943 N SER A 66 -3.696 -11.779 -3.159 1.00 0.00 N ATOM 944 CA SER A 66 -2.555 -11.902 -4.056 1.00 0.00 C ATOM 945 C SER A 66 -1.581 -10.729 -3.905 1.00 0.00 C ATOM 946 O SER A 66 -0.401 -10.933 -3.622 1.00 0.00 O ATOM 947 CB SER A 66 -3.062 -11.989 -5.499 1.00 0.00 C ATOM 948 OG SER A 66 -3.880 -13.134 -5.627 1.00 0.00 O ATOM 0 H SER A 66 -4.594 -11.883 -3.631 1.00 0.00 H new ATOM 0 HA SER A 66 -2.008 -12.808 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.626 -11.092 -5.755 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.222 -12.046 -6.191 1.00 0.00 H new ATOM 0 HG SER A 66 -4.822 -12.864 -5.631 1.00 0.00 H new ATOM 954 N TYR A 67 -2.055 -9.493 -4.094 1.00 0.00 N ATOM 955 CA TYR A 67 -1.195 -8.326 -3.971 1.00 0.00 C ATOM 956 C TYR A 67 -0.624 -8.232 -2.574 1.00 0.00 C ATOM 957 O TYR A 67 0.510 -7.796 -2.414 1.00 0.00 O ATOM 958 CB TYR A 67 -1.954 -7.018 -4.221 1.00 0.00 C ATOM 959 CG TYR A 67 -2.215 -6.670 -5.674 1.00 0.00 C ATOM 960 CD1 TYR A 67 -1.169 -6.675 -6.618 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.507 -6.290 -6.080 1.00 0.00 C ATOM 962 CE1 TYR A 67 -1.438 -6.394 -7.970 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.774 -6.008 -7.429 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.741 -6.064 -8.378 1.00 0.00 C ATOM 965 OH TYR A 67 -2.996 -5.824 -9.694 1.00 0.00 O ATOM 0 H TYR A 67 -3.024 -9.282 -4.331 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.412 -8.451 -4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.911 -7.072 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.391 -6.202 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.160 -6.895 -6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.299 -6.215 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.640 -6.432 -8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.776 -5.748 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.860 -5.369 -9.782 1.00 0.00 H new ATOM 975 N ILE A 68 -1.398 -8.576 -1.550 1.00 0.00 N ATOM 976 CA ILE A 68 -0.904 -8.459 -0.201 1.00 0.00 C ATOM 977 C ILE A 68 0.269 -9.418 0.001 1.00 0.00 C ATOM 978 O ILE A 68 1.328 -9.025 0.494 1.00 0.00 O ATOM 979 CB ILE A 68 -2.082 -8.701 0.746 1.00 0.00 C ATOM 980 CG1 ILE A 68 -2.956 -7.448 0.892 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.647 -9.173 2.137 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.079 -6.510 -0.321 1.00 0.00 C ATOM 0 H ILE A 68 -2.351 -8.931 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.509 -7.466 0.011 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.662 -9.500 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.960 -7.771 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.568 -6.865 1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.527 -9.327 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.097 -10.110 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.006 -8.418 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.727 -5.671 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.092 -6.137 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.506 -7.057 -1.162 1.00 0.00 H new ATOM 994 N GLN A 69 0.097 -10.668 -0.430 1.00 0.00 N ATOM 995 CA GLN A 69 1.182 -11.620 -0.481 1.00 0.00 C ATOM 996 C GLN A 69 2.337 -11.068 -1.315 1.00 0.00 C ATOM 997 O GLN A 69 3.479 -11.258 -0.929 1.00 0.00 O ATOM 998 CB GLN A 69 0.651 -12.952 -1.004 1.00 0.00 C ATOM 999 CG GLN A 69 -0.037 -13.708 0.135 1.00 0.00 C ATOM 1000 CD GLN A 69 -0.960 -14.799 -0.383 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.690 -15.985 -0.234 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -2.068 -14.391 -0.990 1.00 0.00 N ATOM 0 H GLN A 69 -0.798 -11.038 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 69 1.584 -11.793 0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.053 -12.781 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.469 -13.548 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.718 -14.150 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.609 -13.007 0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.255 -13.394 -1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.732 -15.075 -1.353 1.00 0.00 H new ATOM 1011 N LYS A 70 2.068 -10.354 -2.411 1.00 0.00 N ATOM 1012 CA LYS A 70 3.108 -9.742 -3.232 1.00 0.00 C ATOM 1013 C LYS A 70 3.892 -8.664 -2.477 1.00 0.00 C ATOM 1014 O LYS A 70 5.118 -8.680 -2.466 1.00 0.00 O ATOM 1015 CB LYS A 70 2.488 -9.180 -4.519 1.00 0.00 C ATOM 1016 CG LYS A 70 3.535 -8.976 -5.620 1.00 0.00 C ATOM 1017 CD LYS A 70 2.833 -8.543 -6.916 1.00 0.00 C ATOM 1018 CE LYS A 70 3.830 -8.331 -8.061 1.00 0.00 C ATOM 1019 NZ LYS A 70 4.656 -7.125 -7.870 1.00 0.00 N ATOM 0 H LYS A 70 1.121 -10.186 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 70 3.829 -10.518 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.715 -9.860 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.001 -8.229 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.258 -8.220 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.090 -9.899 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.104 -9.300 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.281 -7.620 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.478 -9.203 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.286 -8.251 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.337 -7.043 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.044 -6.284 -7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.171 -7.196 -6.969 1.00 0.00 H new ATOM 1033 N ASN A 71 3.206 -7.704 -1.855 1.00 0.00 N ATOM 1034 CA ASN A 71 3.828 -6.713 -1.000 1.00 0.00 C ATOM 1035 C ASN A 71 4.678 -7.379 0.061 1.00 0.00 C ATOM 1036 O ASN A 71 5.793 -6.939 0.313 1.00 0.00 O ATOM 1037 CB ASN A 71 2.742 -5.860 -0.335 1.00 0.00 C ATOM 1038 CG ASN A 71 2.204 -4.771 -1.248 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.420 -3.583 -1.026 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.495 -5.164 -2.300 1.00 0.00 N ATOM 0 H ASN A 71 2.195 -7.598 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 71 4.472 -6.079 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.920 -6.505 -0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.148 -5.403 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.115 -4.472 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.330 -6.158 -2.462 1.00 0.00 H new ATOM 1047 N ARG A 72 4.184 -8.457 0.668 1.00 0.00 N ATOM 1048 CA ARG A 72 5.031 -9.232 1.538 1.00 0.00 C ATOM 1049 C ARG A 72 6.252 -9.736 0.767 1.00 0.00 C ATOM 1050 O ARG A 72 7.371 -9.378 1.123 1.00 0.00 O ATOM 1051 CB ARG A 72 4.199 -10.339 2.187 1.00 0.00 C ATOM 1052 CG ARG A 72 3.793 -9.823 3.567 1.00 0.00 C ATOM 1053 CD ARG A 72 2.678 -10.628 4.219 1.00 0.00 C ATOM 1054 NE ARG A 72 2.360 -10.002 5.514 1.00 0.00 N ATOM 1055 CZ ARG A 72 1.157 -9.584 5.930 1.00 0.00 C ATOM 1056 NH1 ARG A 72 0.060 -9.921 5.252 1.00 0.00 N ATOM 1057 NH2 ARG A 72 1.072 -8.824 7.023 1.00 0.00 N ATOM 0 H ARG A 72 3.227 -8.797 0.571 1.00 0.00 H new ATOM 0 HA ARG A 72 5.427 -8.621 2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.320 -10.568 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.776 -11.260 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.666 -9.833 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.474 -8.785 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.797 -10.646 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.989 -11.663 4.362 1.00 0.00 H new ATOM 0 HE ARG A 72 3.137 -9.873 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.135 -10.498 4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.855 -9.602 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.917 -8.567 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.162 -8.500 7.349 1.00 0.00 H new ATOM 1071 N ASP A 73 6.036 -10.516 -0.299 1.00 0.00 N ATOM 1072 CA ASP A 73 7.059 -11.177 -1.096 1.00 0.00 C ATOM 1073 C ASP A 73 8.233 -10.246 -1.341 1.00 0.00 C ATOM 1074 O ASP A 73 9.384 -10.563 -1.029 1.00 0.00 O ATOM 1075 CB ASP A 73 6.461 -11.572 -2.451 1.00 0.00 C ATOM 1076 CG ASP A 73 7.409 -12.489 -3.190 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.385 -13.702 -2.909 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.223 -11.958 -3.976 1.00 0.00 O ATOM 0 H ASP A 73 5.094 -10.708 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 73 7.406 -12.057 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.503 -12.070 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.268 -10.679 -3.046 1.00 0.00 H new ATOM 1083 N PHE A 74 7.863 -9.076 -1.863 1.00 0.00 N ATOM 1084 CA PHE A 74 8.735 -7.997 -2.278 1.00 0.00 C ATOM 1085 C PHE A 74 9.825 -7.696 -1.252 1.00 0.00 C ATOM 1086 O PHE A 74 10.945 -7.370 -1.637 1.00 0.00 O ATOM 1087 CB PHE A 74 7.861 -6.760 -2.535 1.00 0.00 C ATOM 1088 CG PHE A 74 7.455 -6.505 -3.975 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.401 -7.546 -4.925 1.00 0.00 C ATOM 1090 CD2 PHE A 74 7.329 -5.173 -4.404 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.421 -7.241 -6.298 1.00 0.00 C ATOM 1092 CE2 PHE A 74 7.296 -4.872 -5.772 1.00 0.00 C ATOM 1093 CZ PHE A 74 7.381 -5.902 -6.723 1.00 0.00 C ATOM 0 H PHE A 74 6.880 -8.851 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 74 9.260 -8.292 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.955 -6.852 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.396 -5.883 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.344 -8.574 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.257 -4.378 -3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.467 -8.037 -7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.205 -3.846 -6.096 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.415 -5.666 -7.776 1.00 0.00 H new ATOM 1103 N PHE A 75 9.493 -7.765 0.038 1.00 0.00 N ATOM 1104 CA PHE A 75 10.384 -7.336 1.101 1.00 0.00 C ATOM 1105 C PHE A 75 10.695 -8.470 2.073 1.00 0.00 C ATOM 1106 O PHE A 75 11.041 -8.201 3.222 1.00 0.00 O ATOM 1107 CB PHE A 75 9.723 -6.154 1.811 1.00 0.00 C ATOM 1108 CG PHE A 75 9.244 -5.062 0.872 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.145 -4.446 -0.017 1.00 0.00 C ATOM 1110 CD2 PHE A 75 7.866 -4.802 0.757 1.00 0.00 C ATOM 1111 CE1 PHE A 75 9.663 -3.617 -1.044 1.00 0.00 C ATOM 1112 CE2 PHE A 75 7.384 -3.974 -0.266 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.282 -3.394 -1.174 1.00 0.00 C ATOM 0 H PHE A 75 8.596 -8.121 0.369 1.00 0.00 H new ATOM 0 HA PHE A 75 11.343 -7.033 0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.875 -6.519 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.432 -5.725 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.207 -4.611 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.176 -5.243 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.353 -3.152 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.325 -3.783 -0.355 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.910 -2.774 -1.976 1.00 0.00 H new