USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 296 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 Single : A 5 GLN : amide:sc= 0.987 K(o=0.99,f=-0.019) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.251 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0046 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.709 K(o=0.71,f=-5.8!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.735 K(o=0.73,f=-2.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N VAL A 3 -1.957 7.459 -5.887 1.00 0.00 N ATOM 30 CA VAL A 3 -1.835 7.829 -7.313 1.00 0.00 C ATOM 31 C VAL A 3 -0.828 8.975 -7.512 1.00 0.00 C ATOM 32 O VAL A 3 0.029 8.875 -8.388 1.00 0.00 O ATOM 33 CB VAL A 3 -3.205 8.181 -7.946 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.086 8.591 -9.426 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.182 6.994 -7.857 1.00 0.00 C ATOM 0 HA VAL A 3 -1.455 6.950 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.583 9.028 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.075 8.827 -9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.444 9.468 -9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.655 7.769 -9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.134 7.272 -8.309 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.764 6.138 -8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.340 6.731 -6.811 1.00 0.00 H new ATOM 45 N GLU A 4 -0.875 10.035 -6.691 1.00 0.00 N ATOM 46 CA GLU A 4 0.101 11.133 -6.755 1.00 0.00 C ATOM 47 C GLU A 4 1.482 10.678 -6.253 1.00 0.00 C ATOM 48 O GLU A 4 2.491 10.992 -6.888 1.00 0.00 O ATOM 49 CB GLU A 4 -0.404 12.342 -5.946 1.00 0.00 C ATOM 50 CG GLU A 4 0.576 13.524 -6.006 1.00 0.00 C ATOM 51 CD GLU A 4 0.018 14.788 -5.334 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.415 14.728 -4.158 1.00 0.00 O ATOM 53 OE2 GLU A 4 0.027 15.861 -5.981 1.00 0.00 O ATOM 0 H GLU A 4 -1.585 10.155 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 4 0.210 11.433 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.375 12.656 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.553 12.047 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.510 13.242 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.811 13.744 -7.047 1.00 0.00 H new ATOM 60 N GLN A 5 1.535 9.919 -5.153 1.00 0.00 N ATOM 61 CA GLN A 5 2.792 9.431 -4.574 1.00 0.00 C ATOM 62 C GLN A 5 3.583 8.574 -5.576 1.00 0.00 C ATOM 63 O GLN A 5 4.792 8.748 -5.697 1.00 0.00 O ATOM 64 CB GLN A 5 2.484 8.647 -3.286 1.00 0.00 C ATOM 65 CG GLN A 5 3.733 8.142 -2.538 1.00 0.00 C ATOM 66 CD GLN A 5 4.652 9.269 -2.055 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.258 10.145 -1.292 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.901 9.308 -2.475 1.00 0.00 N ATOM 0 H GLN A 5 0.705 9.625 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 5 3.423 10.286 -4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.906 9.284 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.854 7.793 -3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.418 7.548 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.297 7.480 -3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.248 8.589 -3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.520 10.057 -2.165 1.00 0.00 H new ATOM 77 N CYS A 6 2.917 7.684 -6.315 1.00 0.00 N ATOM 78 CA CYS A 6 3.552 6.847 -7.335 1.00 0.00 C ATOM 79 C CYS A 6 3.884 7.579 -8.642 1.00 0.00 C ATOM 80 O CYS A 6 4.834 7.198 -9.323 1.00 0.00 O ATOM 81 CB CYS A 6 2.614 5.676 -7.630 1.00 0.00 C ATOM 82 SG CYS A 6 2.426 4.457 -6.310 1.00 0.00 S ATOM 0 H CYS A 6 1.914 7.523 -6.222 1.00 0.00 H new ATOM 0 HA CYS A 6 4.511 6.520 -6.933 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.629 6.077 -7.870 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.975 5.163 -8.522 1.00 0.00 H new ATOM 87 N CYS A 7 3.092 8.584 -9.027 1.00 0.00 N ATOM 88 CA CYS A 7 3.150 9.185 -10.370 1.00 0.00 C ATOM 89 C CYS A 7 3.976 10.479 -10.426 1.00 0.00 C ATOM 90 O CYS A 7 4.774 10.658 -11.352 1.00 0.00 O ATOM 91 CB CYS A 7 1.712 9.426 -10.852 1.00 0.00 C ATOM 92 SG CYS A 7 1.549 9.901 -12.595 1.00 0.00 S ATOM 0 H CYS A 7 2.391 9.007 -8.419 1.00 0.00 H new ATOM 0 HA CYS A 7 3.666 8.489 -11.031 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.133 8.518 -10.684 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.266 10.207 -10.236 1.00 0.00 H new ATOM 97 N THR A 8 3.803 11.371 -9.439 1.00 0.00 N ATOM 98 CA THR A 8 4.509 12.661 -9.325 1.00 0.00 C ATOM 99 C THR A 8 5.815 12.501 -8.553 1.00 0.00 C ATOM 100 O THR A 8 6.828 13.087 -8.926 1.00 0.00 O ATOM 101 CB THR A 8 3.586 13.699 -8.672 1.00 0.00 C ATOM 102 OG1 THR A 8 2.406 13.785 -9.443 1.00 0.00 O ATOM 103 CG2 THR A 8 4.204 15.098 -8.624 1.00 0.00 C ATOM 0 H THR A 8 3.148 11.212 -8.673 1.00 0.00 H new ATOM 0 HA THR A 8 4.770 13.015 -10.322 1.00 0.00 H new ATOM 0 HB THR A 8 3.401 13.374 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.800 14.443 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.505 15.788 -8.152 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.129 15.068 -8.048 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.419 15.436 -9.638 1.00 0.00 H new ATOM 111 N SER A 9 5.811 11.673 -7.514 1.00 0.00 N ATOM 112 CA SER A 9 7.015 11.191 -6.815 1.00 0.00 C ATOM 113 C SER A 9 7.274 9.703 -7.134 1.00 0.00 C ATOM 114 O SER A 9 6.866 9.202 -8.187 1.00 0.00 O ATOM 115 CB SER A 9 6.860 11.496 -5.313 1.00 0.00 C ATOM 116 OG SER A 9 8.091 11.328 -4.617 1.00 0.00 O ATOM 0 H SER A 9 4.948 11.303 -7.117 1.00 0.00 H new ATOM 0 HA SER A 9 7.906 11.712 -7.164 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.504 12.518 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.105 10.838 -4.883 1.00 0.00 H new ATOM 0 HG SER A 9 7.960 11.531 -3.667 1.00 0.00 H new ATOM 122 N ILE A 10 7.980 8.995 -6.252 1.00 0.00 N ATOM 123 CA ILE A 10 8.206 7.543 -6.301 1.00 0.00 C ATOM 124 C ILE A 10 7.407 6.810 -5.216 1.00 0.00 C ATOM 125 O ILE A 10 7.150 7.354 -4.138 1.00 0.00 O ATOM 126 CB ILE A 10 9.714 7.217 -6.184 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.372 7.859 -4.940 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.432 7.608 -7.484 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.789 7.347 -4.653 1.00 0.00 C ATOM 0 H ILE A 10 8.431 9.433 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 10 7.850 7.189 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 10 9.814 6.141 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.407 8.940 -5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.744 7.668 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.494 7.377 -7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.006 7.049 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.307 8.676 -7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.183 7.844 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.759 6.271 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.433 7.562 -5.506 1.00 0.00 H new ATOM 141 N CYS A 11 7.061 5.548 -5.471 1.00 0.00 N ATOM 142 CA CYS A 11 6.447 4.653 -4.481 1.00 0.00 C ATOM 143 C CYS A 11 7.004 3.228 -4.562 1.00 0.00 C ATOM 144 O CYS A 11 7.632 2.850 -5.551 1.00 0.00 O ATOM 145 CB CYS A 11 4.925 4.663 -4.645 1.00 0.00 C ATOM 146 SG CYS A 11 4.297 3.717 -6.058 1.00 0.00 S ATOM 0 H CYS A 11 7.200 5.110 -6.382 1.00 0.00 H new ATOM 0 HA CYS A 11 6.700 5.027 -3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.475 4.268 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.593 5.696 -4.743 1.00 0.00 H new ATOM 151 N SER A 12 6.770 2.426 -3.528 1.00 0.00 N ATOM 152 CA SER A 12 7.218 1.029 -3.451 1.00 0.00 C ATOM 153 C SER A 12 6.078 0.025 -3.613 1.00 0.00 C ATOM 154 O SER A 12 4.922 0.292 -3.278 1.00 0.00 O ATOM 155 CB SER A 12 7.939 0.779 -2.123 1.00 0.00 C ATOM 156 OG SER A 12 8.464 -0.538 -2.056 1.00 0.00 O ATOM 0 H SER A 12 6.254 2.729 -2.702 1.00 0.00 H new ATOM 0 HA SER A 12 7.902 0.875 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.747 1.501 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.247 0.938 -1.296 1.00 0.00 H new ATOM 0 HG SER A 12 8.919 -0.665 -1.198 1.00 0.00 H new ATOM 162 N LEU A 13 6.432 -1.188 -4.032 1.00 0.00 N ATOM 163 CA LEU A 13 5.535 -2.346 -4.052 1.00 0.00 C ATOM 164 C LEU A 13 5.027 -2.676 -2.640 1.00 0.00 C ATOM 165 O LEU A 13 3.872 -3.057 -2.455 1.00 0.00 O ATOM 166 CB LEU A 13 6.292 -3.542 -4.656 1.00 0.00 C ATOM 167 CG LEU A 13 6.844 -3.335 -6.090 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.461 -4.649 -6.587 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.797 -2.846 -7.099 1.00 0.00 C ATOM 0 H LEU A 13 7.369 -1.400 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 13 4.661 -2.118 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.125 -3.790 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.625 -4.404 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 13 7.593 -2.546 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.851 -4.509 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.272 -4.944 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.699 -5.428 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.263 -2.726 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.990 -3.575 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.393 -1.889 -6.769 1.00 0.00 H new ATOM 181 N TYR A 14 5.863 -2.438 -1.627 1.00 0.00 N ATOM 182 CA TYR A 14 5.504 -2.534 -0.209 1.00 0.00 C ATOM 183 C TYR A 14 4.393 -1.545 0.208 1.00 0.00 C ATOM 184 O TYR A 14 3.612 -1.831 1.116 1.00 0.00 O ATOM 185 CB TYR A 14 6.778 -2.309 0.614 1.00 0.00 C ATOM 186 CG TYR A 14 6.613 -2.476 2.112 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.562 -3.763 2.676 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.497 -1.339 2.940 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.403 -3.921 4.067 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.344 -1.489 4.333 1.00 0.00 C ATOM 191 CZ TYR A 14 6.293 -2.784 4.901 1.00 0.00 C ATOM 192 OH TYR A 14 6.139 -2.940 6.245 1.00 0.00 O ATOM 0 H TYR A 14 6.835 -2.166 -1.774 1.00 0.00 H new ATOM 0 HA TYR A 14 5.090 -3.525 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.543 -3.004 0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.148 -1.303 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.645 -4.633 2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.526 -0.351 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.365 -4.911 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.266 -0.617 4.966 1.00 0.00 H new ATOM 0 HH TYR A 14 6.080 -2.060 6.672 1.00 0.00 H new ATOM 202 N GLN A 15 4.293 -0.395 -0.473 1.00 0.00 N ATOM 203 CA GLN A 15 3.212 0.578 -0.272 1.00 0.00 C ATOM 204 C GLN A 15 1.957 0.171 -1.050 1.00 0.00 C ATOM 205 O GLN A 15 0.861 0.267 -0.503 1.00 0.00 O ATOM 206 CB GLN A 15 3.677 1.986 -0.680 1.00 0.00 C ATOM 207 CG GLN A 15 4.781 2.528 0.240 1.00 0.00 C ATOM 208 CD GLN A 15 5.300 3.878 -0.248 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.833 3.991 -1.341 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.154 4.944 0.510 1.00 0.00 N ATOM 0 H GLN A 15 4.966 -0.112 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 15 2.957 0.593 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.043 1.962 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.826 2.666 -0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.394 2.630 1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.604 1.814 0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.710 4.862 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.484 5.852 0.183 1.00 0.00 H new ATOM 219 N LEU A 16 2.096 -0.347 -2.281 1.00 0.00 N ATOM 220 CA LEU A 16 0.970 -0.911 -3.042 1.00 0.00 C ATOM 221 C LEU A 16 0.280 -2.062 -2.292 1.00 0.00 C ATOM 222 O LEU A 16 -0.946 -2.171 -2.323 1.00 0.00 O ATOM 223 CB LEU A 16 1.450 -1.398 -4.424 1.00 0.00 C ATOM 224 CG LEU A 16 2.082 -0.330 -5.336 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.296 -0.934 -6.728 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.238 0.944 -5.459 1.00 0.00 C ATOM 0 H LEU A 16 2.988 -0.387 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 16 0.236 -0.115 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.178 -2.195 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.601 -1.837 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 16 3.027 -0.035 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.743 -0.187 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.960 -1.795 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.337 -1.250 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.743 1.653 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.262 0.695 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.109 1.391 -4.473 1.00 0.00 H new ATOM 238 N GLU A 17 1.058 -2.894 -1.591 1.00 0.00 N ATOM 239 CA GLU A 17 0.559 -4.028 -0.809 1.00 0.00 C ATOM 240 C GLU A 17 -0.440 -3.614 0.292 1.00 0.00 C ATOM 241 O GLU A 17 -1.371 -4.365 0.587 1.00 0.00 O ATOM 242 CB GLU A 17 1.764 -4.782 -0.215 1.00 0.00 C ATOM 243 CG GLU A 17 1.382 -6.149 0.364 1.00 0.00 C ATOM 244 CD GLU A 17 2.620 -6.903 0.871 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.255 -7.632 0.075 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.960 -6.785 2.072 1.00 0.00 O ATOM 0 H GLU A 17 2.072 -2.795 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.003 -4.681 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.519 -4.918 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.217 -4.174 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.674 -6.015 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.879 -6.742 -0.399 1.00 0.00 H new ATOM 253 N ASN A 18 -0.313 -2.409 0.866 1.00 0.00 N ATOM 254 CA ASN A 18 -1.206 -1.901 1.904 1.00 0.00 C ATOM 255 C ASN A 18 -2.647 -1.652 1.409 1.00 0.00 C ATOM 256 O ASN A 18 -3.570 -1.572 2.222 1.00 0.00 O ATOM 257 CB ASN A 18 -0.597 -0.603 2.451 1.00 0.00 C ATOM 258 CG ASN A 18 0.742 -0.779 3.165 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.064 -1.829 3.712 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.553 0.263 3.203 1.00 0.00 N ATOM 0 H ASN A 18 0.427 -1.753 0.614 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.292 -2.660 2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.464 0.096 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.306 -0.148 3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.448 0.195 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.284 1.135 2.748 1.00 0.00 H new ATOM 267 N TYR A 19 -2.861 -1.538 0.089 1.00 0.00 N ATOM 268 CA TYR A 19 -4.175 -1.360 -0.543 1.00 0.00 C ATOM 269 C TYR A 19 -4.833 -2.688 -0.969 1.00 0.00 C ATOM 270 O TYR A 19 -5.997 -2.693 -1.372 1.00 0.00 O ATOM 271 CB TYR A 19 -4.004 -0.390 -1.721 1.00 0.00 C ATOM 272 CG TYR A 19 -3.535 0.988 -1.283 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.440 1.884 -0.680 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.175 1.337 -1.384 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.995 3.123 -0.181 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.720 2.567 -0.874 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.627 3.464 -0.269 1.00 0.00 C ATOM 278 OH TYR A 19 -2.176 4.647 0.237 1.00 0.00 O ATOM 0 H TYR A 19 -2.099 -1.568 -0.588 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.866 -0.942 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.286 -0.806 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.953 -0.295 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.484 1.618 -0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.479 0.659 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.697 3.810 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.674 2.826 -0.946 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.210 4.718 0.091 1.00 0.00 H new ATOM 288 N CYS A 20 -4.117 -3.817 -0.874 1.00 0.00 N ATOM 289 CA CYS A 20 -4.656 -5.173 -1.066 1.00 0.00 C ATOM 290 C CYS A 20 -5.547 -5.613 0.104 1.00 0.00 C ATOM 291 O CYS A 20 -5.365 -5.156 1.237 1.00 0.00 O ATOM 292 CB CYS A 20 -3.479 -6.144 -1.202 1.00 0.00 C ATOM 293 SG CYS A 20 -3.854 -7.806 -1.827 1.00 0.00 S ATOM 0 H CYS A 20 -3.121 -3.814 -0.656 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.275 -5.174 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.740 -5.691 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.010 -6.247 -0.224 1.00 0.00 H new ATOM 352 N ASN B 3 11.330 0.323 -5.358 1.00 0.00 N ATOM 353 CA ASN B 3 10.580 1.558 -5.629 1.00 0.00 C ATOM 354 C ASN B 3 10.707 2.017 -7.093 1.00 0.00 C ATOM 355 O ASN B 3 11.714 1.758 -7.757 1.00 0.00 O ATOM 356 CB ASN B 3 10.989 2.659 -4.636 1.00 0.00 C ATOM 357 CG ASN B 3 12.433 3.121 -4.820 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.729 3.979 -5.639 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.374 2.561 -4.078 1.00 0.00 N ATOM 0 HA ASN B 3 9.522 1.344 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.322 3.513 -4.754 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.858 2.290 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.347 2.845 -4.189 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.126 1.845 -3.395 1.00 0.00 H new ATOM 366 N GLN B 4 9.661 2.675 -7.606 1.00 0.00 N ATOM 367 CA GLN B 4 9.491 3.055 -9.014 1.00 0.00 C ATOM 368 C GLN B 4 8.626 4.322 -9.149 1.00 0.00 C ATOM 369 O GLN B 4 7.942 4.727 -8.208 1.00 0.00 O ATOM 370 CB GLN B 4 8.810 1.896 -9.779 1.00 0.00 C ATOM 371 CG GLN B 4 9.633 0.599 -9.877 1.00 0.00 C ATOM 372 CD GLN B 4 8.952 -0.436 -10.776 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.309 -0.635 -11.931 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.939 -1.127 -10.297 1.00 0.00 N ATOM 0 H GLN B 4 8.875 2.970 -7.026 1.00 0.00 H new ATOM 0 HA GLN B 4 10.476 3.261 -9.433 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.862 1.669 -9.292 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.577 2.236 -10.788 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.624 0.826 -10.269 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.772 0.180 -8.880 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.627 -0.976 -9.338 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.466 -1.814 -10.885 1.00 0.00 H new ATOM 383 N HIS B 5 8.602 4.914 -10.347 1.00 0.00 N ATOM 384 CA HIS B 5 7.461 5.722 -10.800 1.00 0.00 C ATOM 385 C HIS B 5 6.423 4.796 -11.464 1.00 0.00 C ATOM 386 O HIS B 5 6.778 3.958 -12.300 1.00 0.00 O ATOM 387 CB HIS B 5 7.916 6.789 -11.808 1.00 0.00 C ATOM 388 CG HIS B 5 8.888 7.815 -11.281 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.629 8.786 -10.342 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.170 8.015 -11.720 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.727 9.553 -10.221 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.703 9.121 -11.042 1.00 0.00 N ATOM 0 H HIS B 5 9.362 4.849 -11.024 1.00 0.00 H new ATOM 0 HA HIS B 5 7.020 6.226 -9.940 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.374 6.286 -12.660 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.034 7.309 -12.181 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.756 8.904 -9.827 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.683 7.422 -12.462 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.814 10.400 -9.556 1.00 0.00 H new ATOM 400 N LEU B 6 5.146 4.952 -11.111 1.00 0.00 N ATOM 401 CA LEU B 6 4.015 4.149 -11.587 1.00 0.00 C ATOM 402 C LEU B 6 2.780 5.051 -11.697 1.00 0.00 C ATOM 403 O LEU B 6 2.535 5.882 -10.827 1.00 0.00 O ATOM 404 CB LEU B 6 3.750 2.994 -10.594 1.00 0.00 C ATOM 405 CG LEU B 6 4.817 1.882 -10.549 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.536 0.961 -9.356 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.830 1.051 -11.844 1.00 0.00 C ATOM 0 H LEU B 6 4.857 5.676 -10.454 1.00 0.00 H new ATOM 0 HA LEU B 6 4.240 3.724 -12.565 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.652 3.417 -9.594 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.791 2.540 -10.843 1.00 0.00 H new ATOM 0 HG LEU B 6 5.794 2.355 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.288 0.173 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.572 1.540 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.548 0.515 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.595 0.278 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.855 0.584 -11.987 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.049 1.701 -12.691 1.00 0.00 H new ATOM 419 N CYS B 7 1.986 4.901 -12.756 1.00 0.00 N ATOM 420 CA CYS B 7 0.827 5.769 -13.007 1.00 0.00 C ATOM 421 C CYS B 7 -0.232 5.089 -13.881 1.00 0.00 C ATOM 422 O CYS B 7 0.078 4.181 -14.655 1.00 0.00 O ATOM 423 CB CYS B 7 1.318 7.083 -13.634 1.00 0.00 C ATOM 424 SG CYS B 7 0.252 8.520 -13.348 1.00 0.00 S ATOM 0 H CYS B 7 2.123 4.179 -13.464 1.00 0.00 H new ATOM 0 HA CYS B 7 0.336 5.980 -12.057 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.311 7.304 -13.244 1.00 0.00 H new ATOM 0 HB3 CYS B 7 1.423 6.937 -14.709 1.00 0.00 H new ATOM 429 N GLY B 8 -1.483 5.526 -13.726 1.00 0.00 N ATOM 430 CA GLY B 8 -2.639 5.089 -14.525 1.00 0.00 C ATOM 431 C GLY B 8 -2.784 3.568 -14.616 1.00 0.00 C ATOM 432 O GLY B 8 -2.772 2.858 -13.607 1.00 0.00 O ATOM 0 H GLY B 8 -1.732 6.217 -13.018 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.548 5.507 -14.092 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.549 5.497 -15.532 1.00 0.00 H new ATOM 436 N SER B 9 -2.892 3.060 -15.842 1.00 0.00 N ATOM 437 CA SER B 9 -3.015 1.627 -16.133 1.00 0.00 C ATOM 438 C SER B 9 -1.833 0.812 -15.589 1.00 0.00 C ATOM 439 O SER B 9 -2.033 -0.297 -15.107 1.00 0.00 O ATOM 440 CB SER B 9 -3.126 1.415 -17.651 1.00 0.00 C ATOM 441 OG SER B 9 -4.151 2.216 -18.232 1.00 0.00 O ATOM 0 H SER B 9 -2.897 3.642 -16.680 1.00 0.00 H new ATOM 0 HA SER B 9 -3.915 1.272 -15.632 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.171 1.653 -18.120 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.329 0.364 -17.856 1.00 0.00 H new ATOM 0 HG SER B 9 -4.187 2.052 -19.198 1.00 0.00 H new ATOM 447 N HIS B 10 -0.617 1.361 -15.587 1.00 0.00 N ATOM 448 CA HIS B 10 0.564 0.672 -15.058 1.00 0.00 C ATOM 449 C HIS B 10 0.616 0.656 -13.518 1.00 0.00 C ATOM 450 O HIS B 10 1.136 -0.298 -12.937 1.00 0.00 O ATOM 451 CB HIS B 10 1.823 1.285 -15.676 1.00 0.00 C ATOM 452 CG HIS B 10 1.962 0.982 -17.150 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.981 -0.270 -17.731 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.087 1.896 -18.161 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.108 -0.109 -19.059 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.176 1.200 -19.374 1.00 0.00 N ATOM 0 H HIS B 10 -0.422 2.294 -15.951 1.00 0.00 H new ATOM 0 HA HIS B 10 0.502 -0.378 -15.345 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.803 2.365 -15.533 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.700 0.910 -15.149 1.00 0.00 H new ATOM 0 HD1 HIS B 10 1.911 -1.161 -17.239 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.113 2.969 -18.044 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.150 -0.917 -19.775 1.00 0.00 H new ATOM 464 N LEU B 11 0.017 1.643 -12.841 1.00 0.00 N ATOM 465 CA LEU B 11 -0.211 1.588 -11.391 1.00 0.00 C ATOM 466 C LEU B 11 -1.265 0.530 -11.043 1.00 0.00 C ATOM 467 O LEU B 11 -1.036 -0.279 -10.149 1.00 0.00 O ATOM 468 CB LEU B 11 -0.586 2.993 -10.881 1.00 0.00 C ATOM 469 CG LEU B 11 -0.899 3.078 -9.374 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.268 2.597 -8.504 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.232 4.532 -9.017 1.00 0.00 C ATOM 0 H LEU B 11 -0.322 2.499 -13.280 1.00 0.00 H new ATOM 0 HA LEU B 11 0.704 1.282 -10.884 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.234 3.675 -11.105 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.455 3.345 -11.437 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.746 2.422 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.005 2.678 -7.452 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.494 1.558 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.146 3.213 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.455 4.603 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.379 5.169 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.099 4.859 -9.592 1.00 0.00 H new ATOM 483 N VAL B 12 -2.380 0.489 -11.775 1.00 0.00 N ATOM 484 CA VAL B 12 -3.434 -0.537 -11.606 1.00 0.00 C ATOM 485 C VAL B 12 -2.898 -1.953 -11.909 1.00 0.00 C ATOM 486 O VAL B 12 -3.233 -2.904 -11.204 1.00 0.00 O ATOM 487 CB VAL B 12 -4.672 -0.197 -12.471 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.744 -1.301 -12.493 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.344 1.093 -11.955 1.00 0.00 C ATOM 0 H VAL B 12 -2.587 1.167 -12.509 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.746 -0.532 -10.562 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.289 -0.080 -13.485 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.578 -0.986 -13.120 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.314 -2.218 -12.895 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.101 -1.482 -11.479 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.213 1.322 -12.571 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.659 0.951 -10.921 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.635 1.919 -12.007 1.00 0.00 H new ATOM 499 N GLU B 13 -2.019 -2.084 -12.907 1.00 0.00 N ATOM 500 CA GLU B 13 -1.290 -3.314 -13.235 1.00 0.00 C ATOM 501 C GLU B 13 -0.355 -3.734 -12.093 1.00 0.00 C ATOM 502 O GLU B 13 -0.386 -4.887 -11.667 1.00 0.00 O ATOM 503 CB GLU B 13 -0.502 -3.066 -14.530 1.00 0.00 C ATOM 504 CG GLU B 13 0.327 -4.246 -15.044 1.00 0.00 C ATOM 505 CD GLU B 13 0.958 -3.913 -16.406 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.581 -2.834 -16.554 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.840 -4.739 -17.342 1.00 0.00 O ATOM 0 H GLU B 13 -1.787 -1.311 -13.530 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.995 -4.133 -13.376 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.205 -2.774 -15.310 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.166 -2.220 -14.370 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.109 -4.488 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.306 -5.129 -15.137 1.00 0.00 H new ATOM 514 N ALA B 14 0.453 -2.812 -11.559 1.00 0.00 N ATOM 515 CA ALA B 14 1.359 -3.086 -10.443 1.00 0.00 C ATOM 516 C ALA B 14 0.603 -3.496 -9.165 1.00 0.00 C ATOM 517 O ALA B 14 0.974 -4.483 -8.525 1.00 0.00 O ATOM 518 CB ALA B 14 2.253 -1.860 -10.224 1.00 0.00 C ATOM 0 H ALA B 14 0.496 -1.849 -11.893 1.00 0.00 H new ATOM 0 HA ALA B 14 1.985 -3.943 -10.692 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.934 -2.050 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.829 -1.663 -11.128 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.633 -0.994 -9.993 1.00 0.00 H new ATOM 524 N LEU B 15 -0.492 -2.806 -8.829 1.00 0.00 N ATOM 525 CA LEU B 15 -1.408 -3.186 -7.747 1.00 0.00 C ATOM 526 C LEU B 15 -1.913 -4.623 -7.933 1.00 0.00 C ATOM 527 O LEU B 15 -1.800 -5.428 -7.010 1.00 0.00 O ATOM 528 CB LEU B 15 -2.579 -2.187 -7.697 1.00 0.00 C ATOM 529 CG LEU B 15 -2.236 -0.861 -6.987 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.205 0.251 -7.415 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.312 -1.026 -5.458 1.00 0.00 C ATOM 0 H LEU B 15 -0.772 -1.951 -9.310 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.873 -3.153 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.903 -1.970 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.421 -2.654 -7.187 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.220 -0.588 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.945 1.177 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.134 0.400 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.224 -0.034 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.066 -0.079 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.321 -1.326 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.603 -1.790 -5.139 1.00 0.00 H new ATOM 543 N TYR B 16 -2.385 -4.986 -9.129 1.00 0.00 N ATOM 544 CA TYR B 16 -2.816 -6.354 -9.437 1.00 0.00 C ATOM 545 C TYR B 16 -1.679 -7.384 -9.338 1.00 0.00 C ATOM 546 O TYR B 16 -1.897 -8.492 -8.852 1.00 0.00 O ATOM 547 CB TYR B 16 -3.484 -6.397 -10.817 1.00 0.00 C ATOM 548 CG TYR B 16 -3.977 -7.787 -11.182 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.093 -8.337 -10.518 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.279 -8.560 -12.133 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.505 -9.652 -10.800 1.00 0.00 C ATOM 552 CE2 TYR B 16 -3.688 -9.876 -12.420 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.802 -10.432 -11.745 1.00 0.00 C ATOM 554 OH TYR B 16 -5.204 -11.707 -12.009 1.00 0.00 O ATOM 0 H TYR B 16 -2.479 -4.340 -9.912 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.543 -6.639 -8.677 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.323 -5.702 -10.833 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.774 -6.057 -11.571 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.632 -7.747 -9.792 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.426 -8.140 -12.644 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.363 -10.067 -10.292 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.153 -10.461 -13.154 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.614 -12.103 -12.683 1.00 0.00 H new ATOM 564 N LEU B 17 -0.455 -7.033 -9.743 1.00 0.00 N ATOM 565 CA LEU B 17 0.712 -7.924 -9.666 1.00 0.00 C ATOM 566 C LEU B 17 1.224 -8.115 -8.231 1.00 0.00 C ATOM 567 O LEU B 17 1.651 -9.215 -7.880 1.00 0.00 O ATOM 568 CB LEU B 17 1.827 -7.400 -10.593 1.00 0.00 C ATOM 569 CG LEU B 17 1.538 -7.570 -12.099 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.573 -6.780 -12.909 1.00 0.00 C ATOM 571 CD2 LEU B 17 1.566 -9.045 -12.530 1.00 0.00 C ATOM 0 H LEU B 17 -0.242 -6.116 -10.137 1.00 0.00 H new ATOM 0 HA LEU B 17 0.396 -8.911 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.989 -6.343 -10.384 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.755 -7.918 -10.353 1.00 0.00 H new ATOM 0 HG LEU B 17 0.535 -7.189 -12.290 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.370 -6.899 -13.973 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.513 -5.724 -12.644 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.572 -7.154 -12.686 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.357 -9.116 -13.597 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.550 -9.466 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.810 -9.601 -11.975 1.00 0.00 H new ATOM 583 N VAL B 18 1.142 -7.083 -7.395 1.00 0.00 N ATOM 584 CA VAL B 18 1.492 -7.145 -5.962 1.00 0.00 C ATOM 585 C VAL B 18 0.431 -7.911 -5.162 1.00 0.00 C ATOM 586 O VAL B 18 0.774 -8.706 -4.288 1.00 0.00 O ATOM 587 CB VAL B 18 1.691 -5.721 -5.385 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.763 -5.680 -3.847 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.993 -5.113 -5.931 1.00 0.00 C ATOM 0 H VAL B 18 0.826 -6.160 -7.691 1.00 0.00 H new ATOM 0 HA VAL B 18 2.433 -7.688 -5.872 1.00 0.00 H new ATOM 0 HB VAL B 18 0.815 -5.152 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.903 -4.651 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.836 -6.072 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.601 -6.288 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.127 -4.112 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.837 -5.739 -5.641 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.940 -5.056 -7.018 1.00 0.00 H new ATOM 599 N CYS B 19 -0.854 -7.681 -5.450 1.00 0.00 N ATOM 600 CA CYS B 19 -1.977 -8.206 -4.663 1.00 0.00 C ATOM 601 C CYS B 19 -2.481 -9.580 -5.134 1.00 0.00 C ATOM 602 O CYS B 19 -2.966 -10.381 -4.334 1.00 0.00 O ATOM 603 CB CYS B 19 -3.096 -7.157 -4.720 1.00 0.00 C ATOM 604 SG CYS B 19 -4.559 -7.498 -3.712 1.00 0.00 S ATOM 0 H CYS B 19 -1.149 -7.117 -6.247 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.638 -8.377 -3.641 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -2.682 -6.197 -4.411 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.412 -7.048 -5.758 1.00 0.00 H new ATOM 609 N GLY B 20 -2.370 -9.868 -6.435 1.00 0.00 N ATOM 610 CA GLY B 20 -2.968 -11.048 -7.074 1.00 0.00 C ATOM 611 C GLY B 20 -4.493 -10.941 -7.168 1.00 0.00 C ATOM 612 O GLY B 20 -5.063 -9.849 -7.139 1.00 0.00 O ATOM 0 H GLY B 20 -1.853 -9.278 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.551 -11.169 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.702 -11.941 -6.508 1.00 0.00 H new ATOM 616 N GLU B 21 -5.161 -12.093 -7.249 1.00 0.00 N ATOM 617 CA GLU B 21 -6.627 -12.209 -7.341 1.00 0.00 C ATOM 618 C GLU B 21 -7.370 -11.855 -6.029 1.00 0.00 C ATOM 619 O GLU B 21 -8.604 -11.814 -6.014 1.00 0.00 O ATOM 620 CB GLU B 21 -7.005 -13.624 -7.813 1.00 0.00 C ATOM 621 CG GLU B 21 -6.508 -13.921 -9.235 1.00 0.00 C ATOM 622 CD GLU B 21 -6.967 -15.311 -9.700 1.00 0.00 C ATOM 623 OE1 GLU B 21 -6.250 -16.304 -9.436 1.00 0.00 O ATOM 624 OE2 GLU B 21 -8.043 -15.425 -10.333 1.00 0.00 O ATOM 0 H GLU B 21 -4.690 -12.998 -7.253 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.953 -11.468 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.586 -14.357 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.089 -13.738 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.883 -13.162 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.420 -13.865 -9.263 1.00 0.00 H new ATOM 631 N ARG B 22 -6.646 -11.561 -4.938 1.00 0.00 N ATOM 632 CA ARG B 22 -7.207 -11.115 -3.650 1.00 0.00 C ATOM 633 C ARG B 22 -8.056 -9.831 -3.769 1.00 0.00 C ATOM 634 O ARG B 22 -9.052 -9.686 -3.054 1.00 0.00 O ATOM 635 CB ARG B 22 -6.060 -10.870 -2.655 1.00 0.00 C ATOM 636 CG ARG B 22 -5.381 -12.163 -2.175 1.00 0.00 C ATOM 637 CD ARG B 22 -4.110 -11.904 -1.353 1.00 0.00 C ATOM 638 NE ARG B 22 -4.364 -11.158 -0.109 1.00 0.00 N ATOM 639 CZ ARG B 22 -3.532 -11.011 0.911 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.336 -11.568 0.936 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.907 -10.285 1.941 1.00 0.00 N ATOM 0 H ARG B 22 -5.628 -11.628 -4.925 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.870 -11.907 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.313 -10.229 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.447 -10.330 -1.791 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.086 -12.735 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -5.129 -12.777 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.643 -12.858 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.398 -11.348 -1.963 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.275 -10.708 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.022 -12.137 0.150 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.726 -11.430 1.741 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.827 -9.845 1.947 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.278 -10.162 2.734 1.00 0.00 H new ATOM 655 N GLY B 23 -7.678 -8.919 -4.676 1.00 0.00 N ATOM 656 CA GLY B 23 -8.373 -7.654 -4.950 1.00 0.00 C ATOM 657 C GLY B 23 -7.899 -6.509 -4.051 1.00 0.00 C ATOM 658 O GLY B 23 -7.542 -6.717 -2.890 1.00 0.00 O ATOM 0 H GLY B 23 -6.851 -9.047 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.218 -7.378 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.445 -7.797 -4.814 1.00 0.00 H new ATOM 662 N PHE B 24 -7.907 -5.293 -4.596 1.00 0.00 N ATOM 663 CA PHE B 24 -7.367 -4.083 -3.972 1.00 0.00 C ATOM 664 C PHE B 24 -8.286 -2.866 -4.172 1.00 0.00 C ATOM 665 O PHE B 24 -9.184 -2.878 -5.020 1.00 0.00 O ATOM 666 CB PHE B 24 -5.961 -3.814 -4.542 1.00 0.00 C ATOM 667 CG PHE B 24 -5.922 -3.621 -6.045 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.110 -2.342 -6.608 1.00 0.00 C ATOM 669 CD2 PHE B 24 -5.734 -4.735 -6.886 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.108 -2.180 -8.005 1.00 0.00 C ATOM 671 CE2 PHE B 24 -5.745 -4.575 -8.282 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.925 -3.297 -8.840 1.00 0.00 C ATOM 0 H PHE B 24 -8.304 -5.116 -5.519 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.305 -4.245 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.552 -2.925 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.309 -4.647 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.256 -1.486 -5.966 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.581 -5.714 -6.457 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.247 -1.199 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.615 -5.433 -8.926 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.923 -3.173 -9.913 1.00 0.00 H new ATOM 682 N PHE B 25 -8.023 -1.797 -3.416 1.00 0.00 N ATOM 683 CA PHE B 25 -8.700 -0.507 -3.536 1.00 0.00 C ATOM 684 C PHE B 25 -7.727 0.637 -3.213 1.00 0.00 C ATOM 685 O PHE B 25 -7.403 0.886 -2.052 1.00 0.00 O ATOM 686 CB PHE B 25 -9.938 -0.496 -2.624 1.00 0.00 C ATOM 687 CG PHE B 25 -10.739 0.789 -2.690 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.581 1.035 -3.794 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.642 1.748 -1.662 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.318 2.232 -3.871 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.376 2.946 -1.738 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.214 3.188 -2.843 1.00 0.00 C ATOM 0 H PHE B 25 -7.313 -1.807 -2.684 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.037 -0.356 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.585 -1.330 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.620 -0.662 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.661 0.302 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.002 1.563 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.962 2.417 -4.718 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.297 3.679 -0.949 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.777 4.108 -2.902 1.00 0.00 H new