USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 CYS SG : rot 147:sc= 1.15 USER MOD Set 1.2: A 25 CYS SG : rot -54:sc= -1.68 USER MOD Set 1.3: A 42 CYS SG : rot 141:sc= 1.25 USER MOD Set 1.4: A 45 CYS SG : rot 165:sc= -0.0994 USER MOD Set 2.1: A 37 CYS SG : rot 172:sc= -1 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -3.06! X(o=-4.7!,f=-5.2) USER MOD Set 2.3: A 62 CYS SG : rot 58:sc= -0.0114 USER MOD Set 2.4: A 65 CYS SG : rot -44:sc= -0.659 USER MOD Single : A 5 SER OG : rot 35:sc= 0.994 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00639 USER MOD Single : A 8 MET CE :methyl -146:sc= -0.112 (180deg=-0.143) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -0.0873 (180deg=-0.433) USER MOD Single : A 21 THR OG1 : rot -59:sc= 0.371 USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= 0.442 (180deg=-1.24) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.45) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 20.672 8.261 2.016 1.00 0.00 N ATOM 31 CA GLY A 4 19.633 7.333 1.608 1.00 0.00 C ATOM 32 C GLY A 4 19.862 5.934 2.146 1.00 0.00 C ATOM 33 O GLY A 4 20.833 5.688 2.861 1.00 0.00 O ATOM 0 HA2 GLY A 4 18.667 7.699 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.588 7.298 0.519 1.00 0.00 H new ATOM 37 N SER A 5 18.963 5.016 1.804 1.00 0.00 N ATOM 38 CA SER A 5 19.069 3.636 2.262 1.00 0.00 C ATOM 39 C SER A 5 18.177 2.718 1.431 1.00 0.00 C ATOM 40 O SER A 5 17.186 3.158 0.848 1.00 0.00 O ATOM 41 CB SER A 5 18.686 3.536 3.740 1.00 0.00 C ATOM 42 OG SER A 5 19.803 3.787 4.575 1.00 0.00 O ATOM 0 H SER A 5 18.154 5.203 1.212 1.00 0.00 H new ATOM 0 HA SER A 5 20.104 3.317 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.894 4.251 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.288 2.543 3.949 1.00 0.00 H new ATOM 0 HG SER A 5 20.379 4.461 4.157 1.00 0.00 H new ATOM 48 N SER A 6 18.537 1.440 1.382 1.00 0.00 N ATOM 49 CA SER A 6 17.773 0.459 0.620 1.00 0.00 C ATOM 50 C SER A 6 17.409 -0.741 1.489 1.00 0.00 C ATOM 51 O SER A 6 17.797 -0.818 2.654 1.00 0.00 O ATOM 52 CB SER A 6 18.572 -0.004 -0.600 1.00 0.00 C ATOM 53 OG SER A 6 17.716 -0.527 -1.601 1.00 0.00 O ATOM 0 H SER A 6 19.353 1.059 1.861 1.00 0.00 H new ATOM 0 HA SER A 6 16.852 0.934 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.141 0.833 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.293 -0.765 -0.300 1.00 0.00 H new ATOM 0 HG SER A 6 18.250 -0.814 -2.371 1.00 0.00 H new ATOM 59 N GLY A 7 16.660 -1.675 0.912 1.00 0.00 N ATOM 60 CA GLY A 7 16.254 -2.859 1.647 1.00 0.00 C ATOM 61 C GLY A 7 15.863 -4.004 0.733 1.00 0.00 C ATOM 62 O GLY A 7 15.808 -3.842 -0.485 1.00 0.00 O ATOM 0 H GLY A 7 16.327 -1.633 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.070 -3.178 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.412 -2.611 2.293 1.00 0.00 H new ATOM 66 N MET A 8 15.592 -5.163 1.323 1.00 0.00 N ATOM 67 CA MET A 8 15.205 -6.340 0.553 1.00 0.00 C ATOM 68 C MET A 8 13.818 -6.826 0.964 1.00 0.00 C ATOM 69 O MET A 8 13.252 -6.355 1.949 1.00 0.00 O ATOM 70 CB MET A 8 16.228 -7.460 0.743 1.00 0.00 C ATOM 71 CG MET A 8 17.512 -7.252 -0.044 1.00 0.00 C ATOM 72 SD MET A 8 18.708 -6.228 0.836 1.00 0.00 S ATOM 73 CE MET A 8 19.104 -5.014 -0.420 1.00 0.00 C ATOM 0 H MET A 8 15.633 -5.313 2.331 1.00 0.00 H new ATOM 0 HA MET A 8 15.176 -6.061 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.471 -7.543 1.802 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.778 -8.406 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 8 17.961 -8.221 -0.263 1.00 0.00 H new ATOM 0 HG3 MET A 8 17.276 -6.787 -1.001 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.150 -4.721 -0.326 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.934 -5.443 -1.407 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.469 -4.137 -0.292 1.00 0.00 H new ATOM 83 N ALA A 9 13.277 -7.771 0.201 1.00 0.00 N ATOM 84 CA ALA A 9 11.959 -8.321 0.488 1.00 0.00 C ATOM 85 C ALA A 9 11.880 -9.792 0.091 1.00 0.00 C ATOM 86 O ALA A 9 11.972 -10.132 -1.088 1.00 0.00 O ATOM 87 CB ALA A 9 10.884 -7.520 -0.233 1.00 0.00 C ATOM 0 H ALA A 9 13.732 -8.171 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 9 11.790 -8.251 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.904 -7.942 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.917 -6.483 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.060 -7.560 -1.308 1.00 0.00 H new ATOM 93 N SER A 10 11.710 -10.659 1.084 1.00 0.00 N ATOM 94 CA SER A 10 11.624 -12.094 0.839 1.00 0.00 C ATOM 95 C SER A 10 10.242 -12.473 0.316 1.00 0.00 C ATOM 96 O SER A 10 9.330 -11.647 0.282 1.00 0.00 O ATOM 97 CB SER A 10 11.927 -12.871 2.122 1.00 0.00 C ATOM 98 OG SER A 10 13.324 -12.964 2.343 1.00 0.00 O ATOM 0 H SER A 10 11.629 -10.393 2.065 1.00 0.00 H new ATOM 0 HA SER A 10 12.364 -12.354 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.453 -12.377 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.499 -13.871 2.055 1.00 0.00 H new ATOM 0 HG SER A 10 13.492 -13.463 3.169 1.00 0.00 H new ATOM 104 N SER A 11 10.095 -13.730 -0.091 1.00 0.00 N ATOM 105 CA SER A 11 8.826 -14.220 -0.616 1.00 0.00 C ATOM 106 C SER A 11 8.872 -15.730 -0.828 1.00 0.00 C ATOM 107 O SER A 11 9.715 -16.239 -1.567 1.00 0.00 O ATOM 108 CB SER A 11 8.490 -13.518 -1.934 1.00 0.00 C ATOM 109 OG SER A 11 7.195 -13.875 -2.386 1.00 0.00 O ATOM 0 H SER A 11 10.839 -14.427 -0.067 1.00 0.00 H new ATOM 0 HA SER A 11 8.049 -13.997 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.547 -12.438 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.229 -13.784 -2.690 1.00 0.00 H new ATOM 0 HG SER A 11 7.003 -13.412 -3.228 1.00 0.00 H new ATOM 115 N VAL A 12 7.959 -16.442 -0.175 1.00 0.00 N ATOM 116 CA VAL A 12 7.893 -17.893 -0.292 1.00 0.00 C ATOM 117 C VAL A 12 7.668 -18.319 -1.738 1.00 0.00 C ATOM 118 O VAL A 12 7.123 -17.561 -2.542 1.00 0.00 O ATOM 119 CB VAL A 12 6.769 -18.477 0.585 1.00 0.00 C ATOM 120 CG1 VAL A 12 6.994 -18.123 2.047 1.00 0.00 C ATOM 121 CG2 VAL A 12 5.412 -17.980 0.111 1.00 0.00 C ATOM 0 H VAL A 12 7.254 -16.037 0.441 1.00 0.00 H new ATOM 0 HA VAL A 12 8.851 -18.281 0.053 1.00 0.00 H new ATOM 0 HB VAL A 12 6.786 -19.563 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.190 -18.544 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.949 -18.532 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.004 -17.039 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.629 -18.402 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.381 -16.892 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.252 -18.289 -0.922 1.00 0.00 H new ATOM 131 N LEU A 13 8.089 -19.536 -2.064 1.00 0.00 N ATOM 132 CA LEU A 13 7.932 -20.064 -3.414 1.00 0.00 C ATOM 133 C LEU A 13 6.486 -19.942 -3.883 1.00 0.00 C ATOM 134 O LEU A 13 5.597 -20.618 -3.365 1.00 0.00 O ATOM 135 CB LEU A 13 8.375 -21.527 -3.466 1.00 0.00 C ATOM 136 CG LEU A 13 9.869 -21.769 -3.684 1.00 0.00 C ATOM 137 CD1 LEU A 13 10.287 -23.104 -3.087 1.00 0.00 C ATOM 138 CD2 LEU A 13 10.207 -21.717 -5.167 1.00 0.00 C ATOM 0 H LEU A 13 8.542 -20.176 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 13 8.562 -19.476 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.082 -22.008 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.826 -22.024 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 13 10.423 -20.979 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.353 -23.258 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.082 -23.104 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.726 -23.908 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.274 -21.891 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.643 -22.486 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.946 -20.737 -5.566 1.00 0.00 H new ATOM 150 N GLU A 14 6.258 -19.076 -4.866 1.00 0.00 N ATOM 151 CA GLU A 14 4.919 -18.868 -5.404 1.00 0.00 C ATOM 152 C GLU A 14 4.836 -19.338 -6.853 1.00 0.00 C ATOM 153 O GLU A 14 5.778 -19.170 -7.627 1.00 0.00 O ATOM 154 CB GLU A 14 4.534 -17.390 -5.314 1.00 0.00 C ATOM 155 CG GLU A 14 4.162 -16.942 -3.910 1.00 0.00 C ATOM 156 CD GLU A 14 4.011 -15.438 -3.798 1.00 0.00 C ATOM 157 OE1 GLU A 14 3.438 -14.827 -4.724 1.00 0.00 O ATOM 158 OE2 GLU A 14 4.467 -14.871 -2.783 1.00 0.00 O ATOM 0 H GLU A 14 6.983 -18.508 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 14 4.220 -19.456 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.367 -16.784 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.693 -17.201 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.228 -17.420 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.927 -17.280 -3.210 1.00 0.00 H new ATOM 165 N MET A 15 3.702 -19.930 -7.213 1.00 0.00 N ATOM 166 CA MET A 15 3.494 -20.425 -8.569 1.00 0.00 C ATOM 167 C MET A 15 4.016 -19.427 -9.597 1.00 0.00 C ATOM 168 O MET A 15 3.977 -18.216 -9.376 1.00 0.00 O ATOM 169 CB MET A 15 2.009 -20.698 -8.814 1.00 0.00 C ATOM 170 CG MET A 15 1.753 -21.856 -9.765 1.00 0.00 C ATOM 171 SD MET A 15 2.359 -23.429 -9.124 1.00 0.00 S ATOM 172 CE MET A 15 1.013 -23.892 -8.037 1.00 0.00 C ATOM 0 H MET A 15 2.913 -20.079 -6.584 1.00 0.00 H new ATOM 0 HA MET A 15 4.049 -21.357 -8.678 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.524 -20.908 -7.860 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.544 -19.798 -9.217 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.683 -21.934 -9.956 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.233 -21.649 -10.721 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.239 -24.848 -7.564 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.886 -23.128 -7.270 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.093 -23.982 -8.615 1.00 0.00 H new ATOM 182 N ILE A 16 4.504 -19.942 -10.721 1.00 0.00 N ATOM 183 CA ILE A 16 5.033 -19.095 -11.783 1.00 0.00 C ATOM 184 C ILE A 16 3.954 -18.760 -12.807 1.00 0.00 C ATOM 185 O ILE A 16 3.852 -19.404 -13.851 1.00 0.00 O ATOM 186 CB ILE A 16 6.217 -19.767 -12.502 1.00 0.00 C ATOM 187 CG1 ILE A 16 7.360 -20.026 -11.518 1.00 0.00 C ATOM 188 CG2 ILE A 16 6.693 -18.903 -13.660 1.00 0.00 C ATOM 189 CD1 ILE A 16 7.868 -18.773 -10.840 1.00 0.00 C ATOM 0 H ILE A 16 4.544 -20.942 -10.919 1.00 0.00 H new ATOM 0 HA ILE A 16 5.380 -18.176 -11.311 1.00 0.00 H new ATOM 0 HB ILE A 16 5.884 -20.725 -12.902 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.022 -20.729 -10.757 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.185 -20.502 -12.048 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.530 -19.392 -14.158 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.878 -18.766 -14.371 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.012 -17.932 -13.282 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.677 -19.031 -10.157 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.237 -18.076 -11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.056 -18.307 -10.281 1.00 0.00 H new ATOM 201 N LYS A 17 3.150 -17.747 -12.502 1.00 0.00 N ATOM 202 CA LYS A 17 2.080 -17.322 -13.396 1.00 0.00 C ATOM 203 C LYS A 17 2.645 -16.621 -14.627 1.00 0.00 C ATOM 204 O LYS A 17 3.470 -15.715 -14.511 1.00 0.00 O ATOM 205 CB LYS A 17 1.114 -16.389 -12.662 1.00 0.00 C ATOM 206 CG LYS A 17 -0.323 -16.502 -13.140 1.00 0.00 C ATOM 207 CD LYS A 17 -1.110 -17.500 -12.308 1.00 0.00 C ATOM 208 CE LYS A 17 -1.096 -18.885 -12.938 1.00 0.00 C ATOM 209 NZ LYS A 17 -1.839 -18.916 -14.228 1.00 0.00 N ATOM 0 H LYS A 17 3.220 -17.205 -11.641 1.00 0.00 H new ATOM 0 HA LYS A 17 1.539 -18.210 -13.722 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.151 -16.608 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.450 -15.360 -12.788 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.803 -15.525 -13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.337 -16.808 -14.186 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.688 -17.551 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.139 -17.157 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.065 -19.197 -13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.538 -19.603 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.174 -19.883 -14.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.654 -18.272 -14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.209 -18.614 -14.999 1.00 0.00 H new ATOM 269 N THR A 21 1.310 -11.864 -15.389 1.00 0.00 N ATOM 270 CA THR A 21 2.613 -11.305 -15.051 1.00 0.00 C ATOM 271 C THR A 21 2.637 -9.797 -15.269 1.00 0.00 C ATOM 272 O THR A 21 1.972 -9.278 -16.166 1.00 0.00 O ATOM 273 CB THR A 21 3.735 -11.951 -15.886 1.00 0.00 C ATOM 274 OG1 THR A 21 3.578 -13.374 -15.901 1.00 0.00 O ATOM 275 CG2 THR A 21 5.103 -11.593 -15.323 1.00 0.00 C ATOM 0 HA THR A 21 2.785 -11.520 -13.996 1.00 0.00 H new ATOM 0 HB THR A 21 3.666 -11.568 -16.904 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.607 -13.716 -14.983 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.879 -12.060 -15.929 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.232 -10.511 -15.340 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.179 -11.951 -14.296 1.00 0.00 H new ATOM 283 N CYS A 22 3.408 -9.097 -14.444 1.00 0.00 N ATOM 284 CA CYS A 22 3.520 -7.647 -14.546 1.00 0.00 C ATOM 285 C CYS A 22 3.921 -7.230 -15.958 1.00 0.00 C ATOM 286 O CYS A 22 4.964 -7.629 -16.477 1.00 0.00 O ATOM 287 CB CYS A 22 4.543 -7.121 -13.537 1.00 0.00 C ATOM 288 SG CYS A 22 4.357 -5.352 -13.143 1.00 0.00 S ATOM 0 H CYS A 22 3.965 -9.511 -13.697 1.00 0.00 H new ATOM 0 HA CYS A 22 2.544 -7.216 -14.322 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.459 -7.698 -12.616 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.545 -7.291 -13.930 1.00 0.00 H new ATOM 0 HG CYS A 22 4.699 -5.145 -11.906 1.00 0.00 H new ATOM 293 N PRO A 23 3.075 -6.408 -16.595 1.00 0.00 N ATOM 294 CA PRO A 23 3.320 -5.918 -17.955 1.00 0.00 C ATOM 295 C PRO A 23 4.480 -4.930 -18.015 1.00 0.00 C ATOM 296 O PRO A 23 4.771 -4.364 -19.069 1.00 0.00 O ATOM 297 CB PRO A 23 2.007 -5.224 -18.324 1.00 0.00 C ATOM 298 CG PRO A 23 1.407 -4.828 -17.019 1.00 0.00 C ATOM 299 CD PRO A 23 1.814 -5.892 -16.037 1.00 0.00 C ATOM 0 HA PRO A 23 3.598 -6.724 -18.635 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.183 -4.355 -18.958 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.347 -5.893 -18.876 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.767 -3.848 -16.705 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.322 -4.760 -17.093 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.955 -5.483 -15.037 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.060 -6.675 -15.957 1.00 0.00 H new ATOM 307 N ILE A 24 5.138 -4.728 -16.878 1.00 0.00 N ATOM 308 CA ILE A 24 6.267 -3.809 -16.803 1.00 0.00 C ATOM 309 C ILE A 24 7.578 -4.564 -16.613 1.00 0.00 C ATOM 310 O ILE A 24 8.456 -4.535 -17.476 1.00 0.00 O ATOM 311 CB ILE A 24 6.096 -2.800 -15.652 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.892 -1.894 -15.914 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.361 -1.972 -15.481 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.485 -1.068 -14.714 1.00 0.00 C ATOM 0 H ILE A 24 4.909 -5.188 -15.997 1.00 0.00 H new ATOM 0 HA ILE A 24 6.297 -3.267 -17.748 1.00 0.00 H new ATOM 0 HB ILE A 24 5.918 -3.351 -14.729 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.124 -1.226 -16.743 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.047 -2.508 -16.226 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.224 -1.264 -14.664 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.199 -2.631 -15.254 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.567 -1.428 -16.403 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.625 -0.450 -14.972 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.221 -1.730 -13.889 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.315 -0.428 -14.414 1.00 0.00 H new ATOM 326 N CYS A 25 7.705 -5.241 -15.476 1.00 0.00 N ATOM 327 CA CYS A 25 8.908 -6.005 -15.171 1.00 0.00 C ATOM 328 C CYS A 25 8.800 -7.428 -15.711 1.00 0.00 C ATOM 329 O CYS A 25 9.809 -8.078 -15.988 1.00 0.00 O ATOM 330 CB CYS A 25 9.147 -6.038 -13.660 1.00 0.00 C ATOM 331 SG CYS A 25 7.685 -6.521 -12.687 1.00 0.00 S ATOM 0 H CYS A 25 6.989 -5.276 -14.751 1.00 0.00 H new ATOM 0 HA CYS A 25 9.752 -5.514 -15.655 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.958 -6.734 -13.446 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.478 -5.052 -13.334 1.00 0.00 H new ATOM 0 HG CYS A 25 6.681 -5.758 -13.004 1.00 0.00 H new ATOM 336 N LEU A 26 7.570 -7.907 -15.859 1.00 0.00 N ATOM 337 CA LEU A 26 7.328 -9.253 -16.367 1.00 0.00 C ATOM 338 C LEU A 26 7.819 -10.304 -15.377 1.00 0.00 C ATOM 339 O LEU A 26 8.581 -11.201 -15.737 1.00 0.00 O ATOM 340 CB LEU A 26 8.023 -9.443 -17.716 1.00 0.00 C ATOM 341 CG LEU A 26 7.714 -8.392 -18.784 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.777 -8.408 -19.872 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.334 -8.629 -19.381 1.00 0.00 C ATOM 0 H LEU A 26 6.724 -7.383 -15.634 1.00 0.00 H new ATOM 0 HA LEU A 26 6.253 -9.378 -16.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.100 -9.456 -17.549 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.749 -10.422 -18.109 1.00 0.00 H new ATOM 0 HG LEU A 26 7.721 -7.409 -18.312 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.541 -7.654 -20.623 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.750 -8.190 -19.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.803 -9.392 -20.341 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.131 -7.872 -20.139 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.300 -9.618 -19.838 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.582 -8.566 -18.595 1.00 0.00 H new ATOM 355 N GLU A 27 7.375 -10.188 -14.129 1.00 0.00 N ATOM 356 CA GLU A 27 7.769 -11.130 -13.089 1.00 0.00 C ATOM 357 C GLU A 27 6.694 -11.231 -12.010 1.00 0.00 C ATOM 358 O GLU A 27 5.868 -10.330 -11.856 1.00 0.00 O ATOM 359 CB GLU A 27 9.098 -10.705 -12.461 1.00 0.00 C ATOM 360 CG GLU A 27 8.953 -9.626 -11.401 1.00 0.00 C ATOM 361 CD GLU A 27 10.271 -8.953 -11.069 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.140 -8.878 -11.963 1.00 0.00 O ATOM 363 OE2 GLU A 27 10.434 -8.503 -9.916 1.00 0.00 O ATOM 0 H GLU A 27 6.743 -9.452 -13.815 1.00 0.00 H new ATOM 0 HA GLU A 27 7.890 -12.110 -13.550 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.575 -11.578 -12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.762 -10.344 -13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.243 -8.875 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.536 -10.066 -10.495 1.00 0.00 H new ATOM 370 N LEU A 28 6.711 -12.332 -11.267 1.00 0.00 N ATOM 371 CA LEU A 28 5.738 -12.551 -10.203 1.00 0.00 C ATOM 372 C LEU A 28 5.356 -11.235 -9.534 1.00 0.00 C ATOM 373 O LEU A 28 6.214 -10.516 -9.019 1.00 0.00 O ATOM 374 CB LEU A 28 6.301 -13.521 -9.162 1.00 0.00 C ATOM 375 CG LEU A 28 6.046 -15.006 -9.422 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.830 -15.862 -8.439 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.559 -15.316 -9.335 1.00 0.00 C ATOM 0 H LEU A 28 7.388 -13.087 -11.382 1.00 0.00 H new ATOM 0 HA LEU A 28 4.842 -12.984 -10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.377 -13.364 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.879 -13.265 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 28 6.387 -15.242 -10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.636 -16.916 -8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.895 -15.661 -8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.521 -15.623 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.397 -16.377 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.192 -15.063 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.021 -14.730 -10.080 1.00 0.00 H new ATOM 389 N LEU A 29 4.064 -10.925 -9.543 1.00 0.00 N ATOM 390 CA LEU A 29 3.568 -9.696 -8.934 1.00 0.00 C ATOM 391 C LEU A 29 3.784 -9.709 -7.425 1.00 0.00 C ATOM 392 O LEU A 29 3.225 -10.545 -6.714 1.00 0.00 O ATOM 393 CB LEU A 29 2.082 -9.513 -9.247 1.00 0.00 C ATOM 394 CG LEU A 29 1.729 -9.273 -10.715 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.345 -9.821 -11.028 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.804 -7.789 -11.046 1.00 0.00 C ATOM 0 H LEU A 29 3.341 -11.508 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 29 4.128 -8.860 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.548 -10.400 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.709 -8.672 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 29 2.455 -9.800 -11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.111 -9.641 -12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.325 -10.893 -10.830 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.394 -9.322 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.550 -7.637 -12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.101 -7.240 -10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.815 -7.426 -10.861 1.00 0.00 H new ATOM 408 N LYS A 30 4.597 -8.777 -6.940 1.00 0.00 N ATOM 409 CA LYS A 30 4.886 -8.678 -5.514 1.00 0.00 C ATOM 410 C LYS A 30 3.971 -7.659 -4.844 1.00 0.00 C ATOM 411 O LYS A 30 4.105 -6.455 -5.059 1.00 0.00 O ATOM 412 CB LYS A 30 6.349 -8.288 -5.295 1.00 0.00 C ATOM 413 CG LYS A 30 7.314 -9.455 -5.412 1.00 0.00 C ATOM 414 CD LYS A 30 8.730 -8.981 -5.694 1.00 0.00 C ATOM 415 CE LYS A 30 8.991 -8.860 -7.187 1.00 0.00 C ATOM 416 NZ LYS A 30 9.072 -10.193 -7.846 1.00 0.00 N ATOM 0 H LYS A 30 5.068 -8.078 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 30 4.706 -9.654 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.625 -7.525 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.453 -7.839 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.300 -10.034 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.986 -10.121 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.893 -8.015 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.443 -9.679 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.196 -8.275 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.922 -8.317 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.712 -10.138 -8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.435 -10.894 -7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.125 -10.480 -8.167 1.00 0.00 H new ATOM 430 N GLU A 31 3.042 -8.150 -4.029 1.00 0.00 N ATOM 431 CA GLU A 31 2.106 -7.280 -3.327 1.00 0.00 C ATOM 432 C GLU A 31 1.481 -6.268 -4.283 1.00 0.00 C ATOM 433 O GLU A 31 1.515 -5.058 -4.056 1.00 0.00 O ATOM 434 CB GLU A 31 2.813 -6.548 -2.184 1.00 0.00 C ATOM 435 CG GLU A 31 2.785 -7.305 -0.867 1.00 0.00 C ATOM 436 CD GLU A 31 3.580 -6.611 0.222 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.668 -6.081 -0.085 1.00 0.00 O ATOM 438 OE2 GLU A 31 3.114 -6.598 1.381 1.00 0.00 O ATOM 0 H GLU A 31 2.918 -9.144 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 31 1.312 -7.903 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.850 -6.366 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.345 -5.574 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.752 -7.420 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.184 -8.308 -1.020 1.00 0.00 H new ATOM 445 N PRO A 32 0.897 -6.773 -5.380 1.00 0.00 N ATOM 446 CA PRO A 32 0.253 -5.932 -6.393 1.00 0.00 C ATOM 447 C PRO A 32 -1.033 -5.292 -5.883 1.00 0.00 C ATOM 448 O PRO A 32 -1.574 -5.695 -4.853 1.00 0.00 O ATOM 449 CB PRO A 32 -0.051 -6.913 -7.528 1.00 0.00 C ATOM 450 CG PRO A 32 -0.152 -8.242 -6.862 1.00 0.00 C ATOM 451 CD PRO A 32 0.819 -8.205 -5.714 1.00 0.00 C ATOM 0 HA PRO A 32 0.887 -5.097 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.979 -6.654 -8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.738 -6.906 -8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.167 -8.425 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.094 -9.046 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.465 -8.796 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.792 -8.605 -5.998 1.00 0.00 H new ATOM 459 N VAL A 33 -1.520 -4.291 -6.611 1.00 0.00 N ATOM 460 CA VAL A 33 -2.745 -3.596 -6.233 1.00 0.00 C ATOM 461 C VAL A 33 -3.647 -3.375 -7.442 1.00 0.00 C ATOM 462 O VAL A 33 -3.243 -2.753 -8.424 1.00 0.00 O ATOM 463 CB VAL A 33 -2.439 -2.236 -5.578 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.549 -2.419 -4.358 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.793 -1.295 -6.583 1.00 0.00 C ATOM 0 H VAL A 33 -1.085 -3.944 -7.466 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.260 -4.231 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.378 -1.791 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.343 -1.447 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.054 -3.055 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.611 -2.885 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.584 -0.339 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.862 -1.732 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.470 -1.139 -7.423 1.00 0.00 H new ATOM 475 N SER A 34 -4.870 -3.888 -7.362 1.00 0.00 N ATOM 476 CA SER A 34 -5.829 -3.749 -8.452 1.00 0.00 C ATOM 477 C SER A 34 -6.247 -2.292 -8.626 1.00 0.00 C ATOM 478 O SER A 34 -6.173 -1.497 -7.689 1.00 0.00 O ATOM 479 CB SER A 34 -7.062 -4.616 -8.188 1.00 0.00 C ATOM 480 OG SER A 34 -6.716 -5.989 -8.129 1.00 0.00 O ATOM 0 H SER A 34 -5.220 -4.403 -6.555 1.00 0.00 H new ATOM 0 HA SER A 34 -5.348 -4.083 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.529 -4.315 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.798 -4.457 -8.976 1.00 0.00 H new ATOM 0 HG SER A 34 -7.520 -6.522 -7.958 1.00 0.00 H new ATOM 486 N ALA A 35 -6.684 -1.948 -9.833 1.00 0.00 N ATOM 487 CA ALA A 35 -7.115 -0.588 -10.131 1.00 0.00 C ATOM 488 C ALA A 35 -8.478 -0.581 -10.815 1.00 0.00 C ATOM 489 O ALA A 35 -9.033 -1.636 -11.125 1.00 0.00 O ATOM 490 CB ALA A 35 -6.083 0.114 -11.000 1.00 0.00 C ATOM 0 H ALA A 35 -6.749 -2.593 -10.621 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.208 -0.048 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.418 1.129 -11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.129 0.150 -10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.962 -0.433 -11.935 1.00 0.00 H new ATOM 496 N ASP A 36 -9.013 0.612 -11.047 1.00 0.00 N ATOM 497 CA ASP A 36 -10.311 0.756 -11.694 1.00 0.00 C ATOM 498 C ASP A 36 -10.369 -0.059 -12.983 1.00 0.00 C ATOM 499 O ASP A 36 -11.399 -0.648 -13.312 1.00 0.00 O ATOM 500 CB ASP A 36 -10.595 2.229 -11.994 1.00 0.00 C ATOM 501 CG ASP A 36 -11.730 2.410 -12.983 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.878 2.057 -12.639 1.00 0.00 O ATOM 503 OD2 ASP A 36 -11.471 2.903 -14.101 1.00 0.00 O ATOM 0 H ASP A 36 -8.567 1.494 -10.796 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.073 0.379 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.840 2.745 -11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.694 2.696 -12.390 1.00 0.00 H new ATOM 508 N CYS A 37 -9.257 -0.086 -13.709 1.00 0.00 N ATOM 509 CA CYS A 37 -9.180 -0.827 -14.963 1.00 0.00 C ATOM 510 C CYS A 37 -8.792 -2.282 -14.713 1.00 0.00 C ATOM 511 O CYS A 37 -8.045 -2.877 -15.487 1.00 0.00 O ATOM 512 CB CYS A 37 -8.167 -0.173 -15.905 1.00 0.00 C ATOM 513 SG CYS A 37 -6.531 0.112 -15.156 1.00 0.00 S ATOM 0 H CYS A 37 -8.396 0.397 -13.451 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.165 -0.807 -15.428 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.047 -0.803 -16.786 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.569 0.780 -16.248 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.695 0.499 -16.073 1.00 0.00 H new ATOM 518 N ASN A 38 -9.307 -2.846 -13.625 1.00 0.00 N ATOM 519 CA ASN A 38 -9.015 -4.231 -13.272 1.00 0.00 C ATOM 520 C ASN A 38 -7.577 -4.592 -13.631 1.00 0.00 C ATOM 521 O ASN A 38 -7.301 -5.698 -14.099 1.00 0.00 O ATOM 522 CB ASN A 38 -9.983 -5.176 -13.986 1.00 0.00 C ATOM 523 CG ASN A 38 -11.426 -4.724 -13.866 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.772 -3.607 -14.250 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.276 -5.594 -13.331 1.00 0.00 N ATOM 0 H ASN A 38 -9.928 -2.366 -12.973 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.140 -4.339 -12.195 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.712 -5.241 -15.040 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.883 -6.178 -13.568 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.260 -5.347 -13.225 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.945 -6.509 -13.026 1.00 0.00 H new ATOM 532 N HIS A 39 -6.663 -3.652 -13.409 1.00 0.00 N ATOM 533 CA HIS A 39 -5.253 -3.872 -13.708 1.00 0.00 C ATOM 534 C HIS A 39 -4.396 -3.673 -12.461 1.00 0.00 C ATOM 535 O HIS A 39 -4.382 -2.593 -11.871 1.00 0.00 O ATOM 536 CB HIS A 39 -4.791 -2.924 -14.815 1.00 0.00 C ATOM 537 CG HIS A 39 -5.436 -3.191 -16.140 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.434 -2.280 -17.175 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.104 -4.276 -16.597 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.075 -2.792 -18.210 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.491 -4.003 -17.886 1.00 0.00 N ATOM 0 H HIS A 39 -6.874 -2.732 -13.023 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.135 -4.901 -14.048 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.005 -1.898 -14.516 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.709 -3.005 -14.924 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -5.005 -1.355 -17.146 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.297 -5.187 -16.050 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.232 -2.303 -19.160 1.00 0.00 H new ATOM 549 N SER A 40 -3.682 -4.722 -12.066 1.00 0.00 N ATOM 550 CA SER A 40 -2.827 -4.664 -10.886 1.00 0.00 C ATOM 551 C SER A 40 -1.354 -4.715 -11.281 1.00 0.00 C ATOM 552 O SER A 40 -0.994 -5.286 -12.311 1.00 0.00 O ATOM 553 CB SER A 40 -3.151 -5.819 -9.937 1.00 0.00 C ATOM 554 OG SER A 40 -3.148 -7.059 -10.623 1.00 0.00 O ATOM 0 H SER A 40 -3.679 -5.622 -12.546 1.00 0.00 H new ATOM 0 HA SER A 40 -3.018 -3.720 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.420 -5.845 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.127 -5.655 -9.480 1.00 0.00 H new ATOM 0 HG SER A 40 -3.356 -7.781 -9.994 1.00 0.00 H new ATOM 560 N PHE A 41 -0.505 -4.112 -10.455 1.00 0.00 N ATOM 561 CA PHE A 41 0.929 -4.086 -10.717 1.00 0.00 C ATOM 562 C PHE A 41 1.720 -4.088 -9.412 1.00 0.00 C ATOM 563 O PHE A 41 1.214 -3.684 -8.365 1.00 0.00 O ATOM 564 CB PHE A 41 1.295 -2.855 -11.547 1.00 0.00 C ATOM 565 CG PHE A 41 0.255 -2.488 -12.566 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.867 -1.761 -12.200 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.398 -2.870 -13.890 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.826 -1.421 -13.135 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.558 -2.533 -14.830 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.672 -1.808 -14.451 1.00 0.00 C ATOM 0 H PHE A 41 -0.786 -3.635 -9.598 1.00 0.00 H new ATOM 0 HA PHE A 41 1.187 -4.984 -11.279 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.451 -2.009 -10.878 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.242 -3.038 -12.055 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.993 -1.457 -11.172 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.266 -3.437 -14.191 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.695 -0.853 -12.836 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.435 -2.836 -15.859 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.421 -1.545 -15.183 1.00 0.00 H new ATOM 580 N CYS A 42 2.966 -4.545 -9.483 1.00 0.00 N ATOM 581 CA CYS A 42 3.829 -4.601 -8.309 1.00 0.00 C ATOM 582 C CYS A 42 3.724 -3.314 -7.495 1.00 0.00 C ATOM 583 O CYS A 42 3.919 -2.218 -8.020 1.00 0.00 O ATOM 584 CB CYS A 42 5.281 -4.836 -8.728 1.00 0.00 C ATOM 585 SG CYS A 42 5.505 -6.219 -9.892 1.00 0.00 S ATOM 0 H CYS A 42 3.401 -4.882 -10.342 1.00 0.00 H new ATOM 0 HA CYS A 42 3.499 -5.432 -7.686 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.668 -3.925 -9.184 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.879 -5.025 -7.837 1.00 0.00 H new ATOM 0 HG CYS A 42 6.395 -5.896 -10.783 1.00 0.00 H new ATOM 590 N ARG A 43 3.415 -3.457 -6.210 1.00 0.00 N ATOM 591 CA ARG A 43 3.283 -2.306 -5.324 1.00 0.00 C ATOM 592 C ARG A 43 4.251 -1.197 -5.727 1.00 0.00 C ATOM 593 O ARG A 43 3.902 -0.017 -5.701 1.00 0.00 O ATOM 594 CB ARG A 43 3.540 -2.721 -3.874 1.00 0.00 C ATOM 595 CG ARG A 43 2.770 -1.893 -2.859 1.00 0.00 C ATOM 596 CD ARG A 43 2.998 -2.396 -1.442 1.00 0.00 C ATOM 597 NE ARG A 43 4.399 -2.285 -1.041 1.00 0.00 N ATOM 598 CZ ARG A 43 4.795 -2.166 0.221 1.00 0.00 C ATOM 599 NH1 ARG A 43 3.901 -2.143 1.200 1.00 0.00 N ATOM 600 NH2 ARG A 43 6.087 -2.070 0.506 1.00 0.00 N ATOM 0 H ARG A 43 3.252 -4.357 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 43 2.265 -1.925 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.272 -3.771 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.606 -2.638 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.078 -0.850 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.706 -1.928 -3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.377 -1.827 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.682 -3.437 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 43 5.112 -2.300 -1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.907 -2.217 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.208 -2.052 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.777 -2.088 -0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.390 -1.979 1.476 1.00 0.00 H new ATOM 614 N ALA A 44 5.467 -1.584 -6.097 1.00 0.00 N ATOM 615 CA ALA A 44 6.483 -0.623 -6.506 1.00 0.00 C ATOM 616 C ALA A 44 6.220 -0.113 -7.919 1.00 0.00 C ATOM 617 O ALA A 44 5.984 1.077 -8.126 1.00 0.00 O ATOM 618 CB ALA A 44 7.867 -1.250 -6.418 1.00 0.00 C ATOM 0 H ALA A 44 5.772 -2.557 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 44 6.437 0.228 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.617 -0.521 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.062 -1.559 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.915 -2.119 -7.074 1.00 0.00 H new ATOM 624 N CYS A 45 6.263 -1.021 -8.888 1.00 0.00 N ATOM 625 CA CYS A 45 6.031 -0.663 -10.282 1.00 0.00 C ATOM 626 C CYS A 45 4.938 0.396 -10.397 1.00 0.00 C ATOM 627 O CYS A 45 5.180 1.502 -10.881 1.00 0.00 O ATOM 628 CB CYS A 45 5.642 -1.903 -11.090 1.00 0.00 C ATOM 629 SG CYS A 45 7.046 -2.980 -11.521 1.00 0.00 S ATOM 0 H CYS A 45 6.456 -2.010 -8.733 1.00 0.00 H new ATOM 0 HA CYS A 45 6.956 -0.250 -10.684 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.916 -2.482 -10.520 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.147 -1.585 -12.007 1.00 0.00 H new ATOM 0 HG CYS A 45 6.601 -4.140 -11.904 1.00 0.00 H new ATOM 634 N ILE A 46 3.736 0.049 -9.949 1.00 0.00 N ATOM 635 CA ILE A 46 2.607 0.969 -10.000 1.00 0.00 C ATOM 636 C ILE A 46 2.995 2.345 -9.467 1.00 0.00 C ATOM 637 O ILE A 46 2.515 3.369 -9.953 1.00 0.00 O ATOM 638 CB ILE A 46 1.410 0.437 -9.191 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.244 1.426 -9.253 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.817 0.181 -7.748 1.00 0.00 C ATOM 641 CD1 ILE A 46 -1.114 0.767 -9.155 1.00 0.00 C ATOM 0 H ILE A 46 3.519 -0.863 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 46 2.317 1.055 -11.047 1.00 0.00 H new ATOM 0 HB ILE A 46 1.086 -0.507 -9.630 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.348 2.148 -8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.301 1.984 -10.187 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.960 -0.195 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.619 -0.557 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.164 1.111 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.892 1.528 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.238 0.065 -9.980 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.191 0.232 -8.209 1.00 0.00 H new ATOM 653 N THR A 47 3.869 2.361 -8.466 1.00 0.00 N ATOM 654 CA THR A 47 4.322 3.610 -7.867 1.00 0.00 C ATOM 655 C THR A 47 5.326 4.319 -8.769 1.00 0.00 C ATOM 656 O THR A 47 5.072 5.425 -9.249 1.00 0.00 O ATOM 657 CB THR A 47 4.967 3.371 -6.489 1.00 0.00 C ATOM 658 OG1 THR A 47 4.069 2.639 -5.648 1.00 0.00 O ATOM 659 CG2 THR A 47 5.330 4.690 -5.825 1.00 0.00 C ATOM 0 H THR A 47 4.277 1.523 -8.053 1.00 0.00 H new ATOM 0 HA THR A 47 3.441 4.239 -7.743 1.00 0.00 H new ATOM 0 HB THR A 47 5.880 2.793 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.323 1.692 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.784 4.495 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.037 5.231 -6.454 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.430 5.290 -5.691 1.00 0.00 H new ATOM 667 N LEU A 48 6.467 3.677 -8.997 1.00 0.00 N ATOM 668 CA LEU A 48 7.509 4.247 -9.843 1.00 0.00 C ATOM 669 C LEU A 48 6.920 4.801 -11.135 1.00 0.00 C ATOM 670 O LEU A 48 7.132 5.964 -11.477 1.00 0.00 O ATOM 671 CB LEU A 48 8.567 3.189 -10.164 1.00 0.00 C ATOM 672 CG LEU A 48 9.990 3.706 -10.380 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.991 2.565 -10.301 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.099 4.422 -11.719 1.00 0.00 C ATOM 0 H LEU A 48 6.693 2.762 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 48 7.976 5.067 -9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.585 2.464 -9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.256 2.654 -11.061 1.00 0.00 H new ATOM 0 HG LEU A 48 10.221 4.419 -9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.998 2.953 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.931 2.096 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.763 1.827 -11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.118 4.783 -11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.848 3.730 -12.523 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.409 5.266 -11.738 1.00 0.00 H new ATOM 686 N ASN A 49 6.176 3.962 -11.849 1.00 0.00 N ATOM 687 CA ASN A 49 5.554 4.369 -13.103 1.00 0.00 C ATOM 688 C ASN A 49 4.809 5.690 -12.937 1.00 0.00 C ATOM 689 O ASN A 49 4.935 6.594 -13.764 1.00 0.00 O ATOM 690 CB ASN A 49 4.591 3.286 -13.594 1.00 0.00 C ATOM 691 CG ASN A 49 4.177 3.492 -15.038 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.086 3.990 -15.318 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.048 3.107 -15.964 1.00 0.00 N ATOM 0 H ASN A 49 5.989 2.996 -11.580 1.00 0.00 H new ATOM 0 HA ASN A 49 6.343 4.507 -13.843 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.064 2.309 -13.490 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.703 3.279 -12.962 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.824 3.219 -16.953 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.941 2.699 -15.686 1.00 0.00 H new ATOM 700 N TYR A 50 4.035 5.796 -11.863 1.00 0.00 N ATOM 701 CA TYR A 50 3.268 7.005 -11.589 1.00 0.00 C ATOM 702 C TYR A 50 4.194 8.185 -11.309 1.00 0.00 C ATOM 703 O TYR A 50 4.223 9.157 -12.063 1.00 0.00 O ATOM 704 CB TYR A 50 2.333 6.783 -10.400 1.00 0.00 C ATOM 705 CG TYR A 50 1.915 8.062 -9.711 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.852 8.818 -10.191 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.582 8.515 -8.579 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.468 9.988 -9.565 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.203 9.683 -7.946 1.00 0.00 C ATOM 710 CZ TYR A 50 1.146 10.416 -8.443 1.00 0.00 C ATOM 711 OH TYR A 50 0.765 11.580 -7.816 1.00 0.00 O ATOM 0 H TYR A 50 3.922 5.059 -11.167 1.00 0.00 H new ATOM 0 HA TYR A 50 2.672 7.235 -12.472 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.442 6.257 -10.743 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.827 6.135 -9.676 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.317 8.485 -11.068 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.411 7.944 -8.187 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.359 10.565 -9.952 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.732 10.020 -7.067 1.00 0.00 H new ATOM 0 HH TYR A 50 1.344 11.739 -7.041 1.00 0.00 H new ATOM 721 N GLU A 51 4.950 8.090 -10.219 1.00 0.00 N ATOM 722 CA GLU A 51 5.877 9.149 -9.839 1.00 0.00 C ATOM 723 C GLU A 51 6.520 9.778 -11.072 1.00 0.00 C ATOM 724 O GLU A 51 6.569 11.001 -11.204 1.00 0.00 O ATOM 725 CB GLU A 51 6.961 8.599 -8.909 1.00 0.00 C ATOM 726 CG GLU A 51 6.419 8.057 -7.597 1.00 0.00 C ATOM 727 CD GLU A 51 5.491 9.033 -6.901 1.00 0.00 C ATOM 728 OE1 GLU A 51 5.607 10.249 -7.158 1.00 0.00 O ATOM 729 OE2 GLU A 51 4.647 8.579 -6.100 1.00 0.00 O ATOM 0 H GLU A 51 4.938 7.291 -9.585 1.00 0.00 H new ATOM 0 HA GLU A 51 5.313 9.919 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.502 7.805 -9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.681 9.389 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.885 7.126 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.252 7.818 -6.935 1.00 0.00 H new ATOM 861 N ASN A 61 -1.171 7.593 -15.265 1.00 0.00 N ATOM 862 CA ASN A 61 -1.588 6.856 -16.452 1.00 0.00 C ATOM 863 C ASN A 61 -1.223 5.380 -16.332 1.00 0.00 C ATOM 864 O ASN A 61 -0.162 5.031 -15.812 1.00 0.00 O ATOM 865 CB ASN A 61 -0.940 7.454 -17.703 1.00 0.00 C ATOM 866 CG ASN A 61 0.575 7.410 -17.645 1.00 0.00 C ATOM 867 OD1 ASN A 61 1.166 6.381 -17.317 1.00 0.00 O ATOM 868 ND2 ASN A 61 1.212 8.531 -17.965 1.00 0.00 N ATOM 0 HA ASN A 61 -2.672 6.938 -16.538 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.283 6.910 -18.583 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.267 8.487 -17.820 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.231 8.562 -17.945 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.682 9.361 -18.231 1.00 0.00 H new ATOM 875 N CYS A 62 -2.107 4.516 -16.818 1.00 0.00 N ATOM 876 CA CYS A 62 -1.879 3.077 -16.767 1.00 0.00 C ATOM 877 C CYS A 62 -0.955 2.631 -17.897 1.00 0.00 C ATOM 878 O CYS A 62 -1.153 2.970 -19.064 1.00 0.00 O ATOM 879 CB CYS A 62 -3.209 2.325 -16.855 1.00 0.00 C ATOM 880 SG CYS A 62 -3.065 0.527 -16.603 1.00 0.00 S ATOM 0 H CYS A 62 -2.989 4.788 -17.252 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.399 2.845 -15.816 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.894 2.732 -16.111 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.654 2.509 -17.833 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.528 0.293 -15.442 1.00 0.00 H new ATOM 885 N PRO A 63 0.079 1.854 -17.543 1.00 0.00 N ATOM 886 CA PRO A 63 1.054 1.345 -18.512 1.00 0.00 C ATOM 887 C PRO A 63 0.455 0.294 -19.440 1.00 0.00 C ATOM 888 O PRO A 63 1.166 -0.337 -20.222 1.00 0.00 O ATOM 889 CB PRO A 63 2.139 0.723 -17.630 1.00 0.00 C ATOM 890 CG PRO A 63 1.440 0.367 -16.363 1.00 0.00 C ATOM 891 CD PRO A 63 0.376 1.412 -16.170 1.00 0.00 C ATOM 0 HA PRO A 63 1.421 2.131 -19.172 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.576 -0.157 -18.102 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.953 1.425 -17.449 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.002 -0.629 -16.425 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.135 0.358 -15.523 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.507 1.001 -15.680 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.730 2.236 -15.550 1.00 0.00 H new ATOM 899 N VAL A 64 -0.859 0.110 -19.349 1.00 0.00 N ATOM 900 CA VAL A 64 -1.554 -0.864 -20.181 1.00 0.00 C ATOM 901 C VAL A 64 -2.654 -0.199 -21.002 1.00 0.00 C ATOM 902 O VAL A 64 -2.627 -0.226 -22.233 1.00 0.00 O ATOM 903 CB VAL A 64 -2.173 -1.989 -19.331 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.969 -2.944 -20.207 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.090 -2.733 -18.564 1.00 0.00 C ATOM 0 H VAL A 64 -1.463 0.623 -18.707 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.811 -1.294 -20.853 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.856 -1.542 -18.609 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.399 -3.732 -19.589 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.769 -2.398 -20.707 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.310 -3.387 -20.954 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.545 -3.525 -17.968 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.381 -3.170 -19.267 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.568 -2.038 -17.906 1.00 0.00 H new ATOM 915 N CYS A 65 -3.620 0.397 -20.313 1.00 0.00 N ATOM 916 CA CYS A 65 -4.731 1.070 -20.977 1.00 0.00 C ATOM 917 C CYS A 65 -4.557 2.585 -20.926 1.00 0.00 C ATOM 918 O CYS A 65 -5.283 3.326 -21.590 1.00 0.00 O ATOM 919 CB CYS A 65 -6.057 0.675 -20.324 1.00 0.00 C ATOM 920 SG CYS A 65 -6.170 1.097 -18.555 1.00 0.00 S ATOM 0 H CYS A 65 -3.657 0.428 -19.294 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.741 0.758 -22.021 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.872 1.165 -20.856 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.201 -0.399 -20.440 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.059 0.777 -17.961 1.00 0.00 H new ATOM 925 N ARG A 66 -3.591 3.038 -20.134 1.00 0.00 N ATOM 926 CA ARG A 66 -3.323 4.465 -19.996 1.00 0.00 C ATOM 927 C ARG A 66 -4.576 5.213 -19.552 1.00 0.00 C ATOM 928 O ARG A 66 -4.977 6.197 -20.174 1.00 0.00 O ATOM 929 CB ARG A 66 -2.814 5.040 -21.319 1.00 0.00 C ATOM 930 CG ARG A 66 -1.514 4.412 -21.796 1.00 0.00 C ATOM 931 CD ARG A 66 -0.321 4.938 -21.014 1.00 0.00 C ATOM 932 NE ARG A 66 0.157 6.214 -21.538 1.00 0.00 N ATOM 933 CZ ARG A 66 0.704 6.356 -22.741 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.840 5.307 -23.539 1.00 0.00 N ATOM 935 NH2 ARG A 66 1.115 7.551 -23.147 1.00 0.00 N ATOM 0 H ARG A 66 -2.981 2.438 -19.578 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.555 4.593 -19.233 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.578 4.900 -22.084 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.669 6.114 -21.207 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.571 3.329 -21.689 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.376 4.621 -22.857 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.598 5.057 -19.967 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.486 4.207 -21.049 1.00 0.00 H new ATOM 0 HE ARG A 66 0.066 7.042 -20.949 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.524 4.387 -23.231 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.260 5.419 -24.462 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.011 8.361 -22.536 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.535 7.659 -24.070 1.00 0.00 H new ATOM 949 N VAL A 67 -5.191 4.740 -18.473 1.00 0.00 N ATOM 950 CA VAL A 67 -6.399 5.364 -17.946 1.00 0.00 C ATOM 951 C VAL A 67 -6.101 6.149 -16.673 1.00 0.00 C ATOM 952 O VAL A 67 -5.376 5.692 -15.788 1.00 0.00 O ATOM 953 CB VAL A 67 -7.488 4.317 -17.647 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.094 3.464 -16.451 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.828 4.995 -17.411 1.00 0.00 C ATOM 0 H VAL A 67 -4.873 3.927 -17.946 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.763 6.046 -18.714 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.586 3.662 -18.513 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.875 2.730 -16.255 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.157 2.949 -16.664 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.966 4.101 -15.576 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.586 4.240 -17.201 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.748 5.674 -16.562 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.113 5.558 -18.300 1.00 0.00 H new ATOM 965 N PRO A 68 -6.672 7.358 -16.576 1.00 0.00 N ATOM 966 CA PRO A 68 -6.483 8.232 -15.414 1.00 0.00 C ATOM 967 C PRO A 68 -7.177 7.696 -14.166 1.00 0.00 C ATOM 968 O PRO A 68 -8.401 7.754 -14.052 1.00 0.00 O ATOM 969 CB PRO A 68 -7.121 9.552 -15.855 1.00 0.00 C ATOM 970 CG PRO A 68 -8.123 9.162 -16.886 1.00 0.00 C ATOM 971 CD PRO A 68 -7.547 7.966 -17.592 1.00 0.00 C ATOM 0 HA PRO A 68 -5.432 8.322 -15.139 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.594 10.063 -15.016 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.376 10.234 -16.265 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.081 8.920 -16.427 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.302 9.979 -17.585 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.327 7.276 -17.915 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.988 8.255 -18.482 1.00 0.00 H new ATOM 979 N TYR A 69 -6.387 7.175 -13.234 1.00 0.00 N ATOM 980 CA TYR A 69 -6.926 6.626 -11.995 1.00 0.00 C ATOM 981 C TYR A 69 -6.360 7.359 -10.783 1.00 0.00 C ATOM 982 O TYR A 69 -5.184 7.721 -10.738 1.00 0.00 O ATOM 983 CB TYR A 69 -6.612 5.133 -11.895 1.00 0.00 C ATOM 984 CG TYR A 69 -5.133 4.830 -11.807 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.469 4.860 -10.586 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.400 4.514 -12.944 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.118 4.585 -10.501 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.049 4.235 -12.868 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.412 4.272 -11.644 1.00 0.00 C ATOM 990 OH TYR A 69 -1.067 3.997 -11.565 1.00 0.00 O ATOM 0 H TYR A 69 -5.371 7.121 -13.313 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.007 6.763 -12.007 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.111 4.723 -11.017 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.028 4.624 -12.765 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.019 5.102 -9.689 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.895 4.486 -13.904 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.617 4.615 -9.545 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.494 3.989 -13.761 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.721 3.795 -12.459 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.216 7.583 -9.775 1.00 0.00 N ATOM 1001 CA PRO A 70 -6.825 8.274 -8.543 1.00 0.00 C ATOM 1002 C PRO A 70 -5.881 7.438 -7.685 1.00 0.00 C ATOM 1003 O PRO A 70 -6.131 6.258 -7.438 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.156 8.489 -7.819 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.046 7.412 -8.334 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.632 7.180 -9.761 1.00 0.00 C ATOM 0 HA PRO A 70 -6.282 9.197 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.034 8.419 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.566 9.476 -8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.939 6.502 -7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.093 7.709 -8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.756 6.137 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.226 7.776 -10.454 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.795 8.057 -7.232 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.814 7.369 -6.402 1.00 0.00 C ATOM 1016 C PHE A 71 -4.355 7.145 -4.993 1.00 0.00 C ATOM 1017 O PHE A 71 -4.825 8.077 -4.341 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.514 8.174 -6.339 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.346 7.387 -5.819 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.113 7.287 -4.456 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.481 6.746 -6.691 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.038 6.563 -3.975 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.595 6.021 -6.215 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.816 5.928 -4.855 1.00 0.00 C ATOM 0 H PHE A 71 -4.573 9.033 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.611 6.398 -6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.277 8.545 -7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.666 9.046 -5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.778 7.780 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.650 6.814 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.134 6.494 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.262 5.528 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.655 5.360 -4.481 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.284 5.901 -4.529 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.771 5.576 -3.201 1.00 0.00 C ATOM 1036 C GLY A 72 -5.958 4.634 -3.233 1.00 0.00 C ATOM 1037 O GLY A 72 -6.126 3.806 -2.339 1.00 0.00 O ATOM 0 H GLY A 72 -3.898 5.113 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.966 5.122 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.054 6.494 -2.686 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.786 4.763 -4.265 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.966 3.918 -4.408 1.00 0.00 C ATOM 1043 C ASN A 73 -7.596 2.564 -5.007 1.00 0.00 C ATOM 1044 O ASN A 73 -8.312 2.032 -5.856 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.010 4.609 -5.287 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.612 5.830 -4.619 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.759 5.804 -4.172 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -8.838 6.907 -4.548 1.00 0.00 N ATOM 0 H ASN A 73 -6.662 5.444 -5.014 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.387 3.754 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.549 4.904 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.804 3.902 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.188 7.759 -4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.893 6.882 -4.932 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.473 2.012 -4.559 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.007 0.720 -5.050 1.00 0.00 C ATOM 1057 C LEU A 74 -6.199 -0.365 -3.995 1.00 0.00 C ATOM 1058 O LEU A 74 -5.755 -0.223 -2.855 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.533 0.805 -5.448 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.163 1.927 -6.418 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.741 2.405 -6.165 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.322 1.461 -7.858 1.00 0.00 C ATOM 0 H LEU A 74 -5.869 2.439 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.599 0.457 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.939 0.925 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.243 -0.145 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.841 2.764 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.496 3.204 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.659 2.779 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.048 1.575 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.054 2.273 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.668 0.608 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.357 1.169 -8.034 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.862 -1.449 -4.382 1.00 0.00 N ATOM 1075 CA LYS A 75 -7.111 -2.561 -3.472 1.00 0.00 C ATOM 1076 C LYS A 75 -5.897 -3.481 -3.392 1.00 0.00 C ATOM 1077 O LYS A 75 -5.251 -3.784 -4.396 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.337 -3.355 -3.927 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.631 -2.562 -3.868 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.743 -3.252 -4.642 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.564 -4.165 -3.744 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.927 -5.501 -3.581 1.00 0.00 N ATOM 0 H LYS A 75 -7.237 -1.581 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.300 -2.150 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.178 -3.699 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.436 -4.243 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.934 -2.435 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.467 -1.565 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.393 -2.502 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.313 -3.833 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.686 -3.699 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.562 -4.287 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.647 -6.197 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.498 -5.793 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.191 -5.447 -2.849 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.578 -3.937 -2.172 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.441 -4.831 -1.933 1.00 0.00 C ATOM 1098 C PRO A 76 -4.671 -6.227 -2.503 1.00 0.00 C ATOM 1099 O PRO A 76 -5.798 -6.720 -2.524 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.347 -4.885 -0.406 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.725 -4.578 0.069 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.304 -3.617 -0.931 1.00 0.00 C ATOM 0 HA PRO A 76 -3.532 -4.473 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.020 -5.867 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.627 -4.159 -0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.327 -5.485 0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.705 -4.138 1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.379 -3.757 -1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.148 -2.581 -0.630 1.00 0.00 H new