USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 284 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= 0.32 X(o=0.32,f=-0.091) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.02 K(o=-0.02,f=-0.79) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : B 5 HIS : no HE2:sc= 0.65 K(o=0.65,f=-2.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 3.066 2.544 -5.006 1.00 0.00 N ATOM 11 CA ILE A 2 4.269 1.833 -5.482 1.00 0.00 C ATOM 12 C ILE A 2 5.224 2.690 -6.327 1.00 0.00 C ATOM 13 O ILE A 2 6.425 2.424 -6.356 1.00 0.00 O ATOM 14 CB ILE A 2 3.869 0.528 -6.196 1.00 0.00 C ATOM 15 CG1 ILE A 2 5.125 -0.331 -6.450 1.00 0.00 C ATOM 16 CG2 ILE A 2 3.057 0.819 -7.468 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.849 -1.708 -7.031 1.00 0.00 C ATOM 0 HA ILE A 2 4.851 1.586 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 2 3.207 -0.054 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.786 0.208 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.663 -0.450 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.789 -0.120 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.150 1.364 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.656 1.421 -8.152 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.791 -2.238 -7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.217 -2.272 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.341 -1.603 -7.990 1.00 0.00 H new ATOM 29 N VAL A 3 4.753 3.775 -6.947 1.00 0.00 N ATOM 30 CA VAL A 3 5.628 4.743 -7.636 1.00 0.00 C ATOM 31 C VAL A 3 6.664 5.345 -6.670 1.00 0.00 C ATOM 32 O VAL A 3 7.827 5.516 -7.038 1.00 0.00 O ATOM 33 CB VAL A 3 4.774 5.823 -8.334 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.600 6.920 -9.011 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.905 5.177 -9.423 1.00 0.00 C ATOM 0 H VAL A 3 3.762 4.012 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 3 6.196 4.221 -8.407 1.00 0.00 H new ATOM 0 HB VAL A 3 4.178 6.280 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.931 7.642 -9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.215 7.425 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.243 6.475 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.305 5.944 -9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.546 4.693 -10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.247 4.435 -8.971 1.00 0.00 H new ATOM 45 N GLU A 4 6.296 5.559 -5.404 1.00 0.00 N ATOM 46 CA GLU A 4 7.208 6.010 -4.339 1.00 0.00 C ATOM 47 C GLU A 4 8.114 4.873 -3.802 1.00 0.00 C ATOM 48 O GLU A 4 9.138 5.132 -3.168 1.00 0.00 O ATOM 49 CB GLU A 4 6.369 6.673 -3.231 1.00 0.00 C ATOM 50 CG GLU A 4 7.202 7.489 -2.235 1.00 0.00 C ATOM 51 CD GLU A 4 6.297 8.290 -1.279 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.756 7.705 -0.307 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.124 9.518 -1.484 1.00 0.00 O ATOM 0 H GLU A 4 5.339 5.422 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 4 7.904 6.741 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.626 7.325 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.823 5.901 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.843 6.821 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.857 8.171 -2.777 1.00 0.00 H new ATOM 60 N GLN A 5 7.770 3.607 -4.072 1.00 0.00 N ATOM 61 CA GLN A 5 8.581 2.435 -3.719 1.00 0.00 C ATOM 62 C GLN A 5 9.629 2.093 -4.786 1.00 0.00 C ATOM 63 O GLN A 5 10.779 1.836 -4.436 1.00 0.00 O ATOM 64 CB GLN A 5 7.675 1.220 -3.433 1.00 0.00 C ATOM 65 CG GLN A 5 8.457 -0.005 -2.927 1.00 0.00 C ATOM 66 CD GLN A 5 9.281 0.244 -1.661 1.00 0.00 C ATOM 67 OE1 GLN A 5 8.810 0.088 -0.544 1.00 0.00 O ATOM 68 NE2 GLN A 5 10.537 0.620 -1.780 1.00 0.00 N ATOM 0 H GLN A 5 6.903 3.364 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 5 9.132 2.691 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.926 1.498 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.138 0.951 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.753 -0.814 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.125 -0.346 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.944 0.754 -2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.103 0.777 -0.946 1.00 0.00 H new ATOM 77 N CYS A 6 9.235 2.066 -6.064 1.00 0.00 N ATOM 78 CA CYS A 6 10.053 1.542 -7.162 1.00 0.00 C ATOM 79 C CYS A 6 10.500 2.595 -8.195 1.00 0.00 C ATOM 80 O CYS A 6 11.566 2.431 -8.787 1.00 0.00 O ATOM 81 CB CYS A 6 9.250 0.433 -7.856 1.00 0.00 C ATOM 82 SG CYS A 6 8.945 -1.090 -6.922 1.00 0.00 S ATOM 0 H CYS A 6 8.325 2.413 -6.368 1.00 0.00 H new ATOM 0 HA CYS A 6 10.979 1.169 -6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.285 0.848 -8.146 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.771 0.165 -8.775 1.00 0.00 H new ATOM 87 N CYS A 7 9.736 3.667 -8.445 1.00 0.00 N ATOM 88 CA CYS A 7 10.119 4.660 -9.463 1.00 0.00 C ATOM 89 C CYS A 7 11.116 5.685 -8.891 1.00 0.00 C ATOM 90 O CYS A 7 12.171 5.933 -9.477 1.00 0.00 O ATOM 91 CB CYS A 7 8.869 5.332 -10.042 1.00 0.00 C ATOM 92 SG CYS A 7 9.158 6.271 -11.569 1.00 0.00 S ATOM 0 H CYS A 7 8.859 3.869 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 7 10.629 4.148 -10.279 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.118 4.567 -10.238 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.452 6.003 -9.291 1.00 0.00 H new ATOM 97 N THR A 8 10.807 6.240 -7.712 1.00 0.00 N ATOM 98 CA THR A 8 11.628 7.261 -7.027 1.00 0.00 C ATOM 99 C THR A 8 12.693 6.690 -6.077 1.00 0.00 C ATOM 100 O THR A 8 13.564 7.435 -5.616 1.00 0.00 O ATOM 101 CB THR A 8 10.744 8.247 -6.255 1.00 0.00 C ATOM 102 OG1 THR A 8 10.073 7.575 -5.219 1.00 0.00 O ATOM 103 CG2 THR A 8 9.691 8.930 -7.130 1.00 0.00 C ATOM 0 H THR A 8 9.965 5.991 -7.193 1.00 0.00 H new ATOM 0 HA THR A 8 12.163 7.771 -7.828 1.00 0.00 H new ATOM 0 HB THR A 8 11.414 9.015 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.511 8.210 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.100 9.614 -6.521 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.185 9.487 -7.926 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.036 8.176 -7.567 1.00 0.00 H new ATOM 111 N SER A 9 12.650 5.384 -5.795 1.00 0.00 N ATOM 112 CA SER A 9 13.587 4.661 -4.925 1.00 0.00 C ATOM 113 C SER A 9 13.836 3.221 -5.412 1.00 0.00 C ATOM 114 O SER A 9 13.152 2.726 -6.307 1.00 0.00 O ATOM 115 CB SER A 9 13.042 4.660 -3.491 1.00 0.00 C ATOM 116 OG SER A 9 14.075 4.322 -2.575 1.00 0.00 O ATOM 0 H SER A 9 11.930 4.774 -6.183 1.00 0.00 H new ATOM 0 HA SER A 9 14.548 5.174 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.636 5.642 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.222 3.947 -3.406 1.00 0.00 H new ATOM 0 HG SER A 9 13.717 4.326 -1.663 1.00 0.00 H new ATOM 122 N ILE A 10 14.809 2.529 -4.820 1.00 0.00 N ATOM 123 CA ILE A 10 15.085 1.103 -5.061 1.00 0.00 C ATOM 124 C ILE A 10 13.965 0.225 -4.477 1.00 0.00 C ATOM 125 O ILE A 10 13.492 0.474 -3.362 1.00 0.00 O ATOM 126 CB ILE A 10 16.480 0.735 -4.492 1.00 0.00 C ATOM 127 CG1 ILE A 10 17.560 1.303 -5.439 1.00 0.00 C ATOM 128 CG2 ILE A 10 16.648 -0.782 -4.269 1.00 0.00 C ATOM 129 CD1 ILE A 10 19.006 1.102 -4.968 1.00 0.00 C ATOM 0 H ILE A 10 15.445 2.949 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 10 15.104 0.914 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 10 16.588 1.183 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.445 0.838 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 10 17.382 2.370 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.642 -0.983 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.896 -1.131 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.525 -1.305 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.690 1.534 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 10 19.146 1.593 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 10 19.210 0.036 -4.865 1.00 0.00 H new ATOM 141 N CYS A 11 13.594 -0.847 -5.186 1.00 0.00 N ATOM 142 CA CYS A 11 12.713 -1.894 -4.672 1.00 0.00 C ATOM 143 C CYS A 11 13.179 -3.304 -5.074 1.00 0.00 C ATOM 144 O CYS A 11 13.973 -3.482 -6.005 1.00 0.00 O ATOM 145 CB CYS A 11 11.266 -1.600 -5.081 1.00 0.00 C ATOM 146 SG CYS A 11 10.786 -1.948 -6.791 1.00 0.00 S ATOM 0 H CYS A 11 13.903 -1.011 -6.144 1.00 0.00 H new ATOM 0 HA CYS A 11 12.761 -1.884 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.610 -2.173 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.070 -0.546 -4.886 1.00 0.00 H new ATOM 151 N SER A 12 12.675 -4.301 -4.344 1.00 0.00 N ATOM 152 CA SER A 12 12.985 -5.732 -4.484 1.00 0.00 C ATOM 153 C SER A 12 11.736 -6.583 -4.223 1.00 0.00 C ATOM 154 O SER A 12 10.702 -6.060 -3.802 1.00 0.00 O ATOM 155 CB SER A 12 14.113 -6.123 -3.512 1.00 0.00 C ATOM 156 OG SER A 12 15.323 -5.475 -3.855 1.00 0.00 O ATOM 0 H SER A 12 12.002 -4.126 -3.597 1.00 0.00 H new ATOM 0 HA SER A 12 13.318 -5.919 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.829 -5.857 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.256 -7.203 -3.531 1.00 0.00 H new ATOM 0 HG SER A 12 16.025 -5.737 -3.223 1.00 0.00 H new ATOM 162 N LEU A 13 11.820 -7.903 -4.431 1.00 0.00 N ATOM 163 CA LEU A 13 10.717 -8.860 -4.260 1.00 0.00 C ATOM 164 C LEU A 13 10.034 -8.749 -2.886 1.00 0.00 C ATOM 165 O LEU A 13 8.813 -8.861 -2.792 1.00 0.00 O ATOM 166 CB LEU A 13 11.219 -10.285 -4.589 1.00 0.00 C ATOM 167 CG LEU A 13 12.104 -10.973 -3.526 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.287 -11.801 -2.531 1.00 0.00 C ATOM 169 CD2 LEU A 13 13.083 -11.934 -4.197 1.00 0.00 C ATOM 0 H LEU A 13 12.686 -8.350 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 13 9.926 -8.611 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.350 -10.918 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.781 -10.241 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 13 12.619 -10.171 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.957 -12.263 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.581 -11.153 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.740 -12.578 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.701 -12.413 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.528 -12.695 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.720 -11.381 -4.888 1.00 0.00 H new ATOM 181 N TYR A 14 10.812 -8.427 -1.847 1.00 0.00 N ATOM 182 CA TYR A 14 10.321 -8.277 -0.473 1.00 0.00 C ATOM 183 C TYR A 14 9.417 -7.049 -0.278 1.00 0.00 C ATOM 184 O TYR A 14 8.633 -7.002 0.670 1.00 0.00 O ATOM 185 CB TYR A 14 11.517 -8.223 0.489 1.00 0.00 C ATOM 186 CG TYR A 14 12.458 -9.413 0.387 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.065 -10.660 0.908 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.721 -9.272 -0.227 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.932 -11.766 0.816 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.588 -10.380 -0.327 1.00 0.00 C ATOM 191 CZ TYR A 14 14.196 -11.632 0.196 1.00 0.00 C ATOM 192 OH TYR A 14 15.019 -12.709 0.106 1.00 0.00 O ATOM 0 H TYR A 14 11.814 -8.261 -1.938 1.00 0.00 H new ATOM 0 HA TYR A 14 9.698 -9.145 -0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.082 -7.311 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.143 -8.157 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.099 -10.769 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.024 -8.313 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.630 -12.721 1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.551 -10.271 -0.803 1.00 0.00 H new ATOM 0 HH TYR A 14 15.848 -12.450 -0.348 1.00 0.00 H new ATOM 202 N GLN A 15 9.495 -6.068 -1.187 1.00 0.00 N ATOM 203 CA GLN A 15 8.589 -4.915 -1.253 1.00 0.00 C ATOM 204 C GLN A 15 7.526 -5.081 -2.349 1.00 0.00 C ATOM 205 O GLN A 15 6.394 -4.646 -2.168 1.00 0.00 O ATOM 206 CB GLN A 15 9.391 -3.622 -1.468 1.00 0.00 C ATOM 207 CG GLN A 15 10.448 -3.335 -0.385 1.00 0.00 C ATOM 208 CD GLN A 15 9.895 -3.104 1.027 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.701 -3.000 1.280 1.00 0.00 O ATOM 210 NE2 GLN A 15 10.759 -3.009 2.018 1.00 0.00 N ATOM 0 H GLN A 15 10.209 -6.055 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 15 8.062 -4.854 -0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.888 -3.675 -2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.697 -2.783 -1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.146 -4.171 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.019 -2.455 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.759 -3.092 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.428 -2.852 2.970 1.00 0.00 H new ATOM 219 N LEU A 16 7.845 -5.739 -3.466 1.00 0.00 N ATOM 220 CA LEU A 16 6.909 -5.986 -4.570 1.00 0.00 C ATOM 221 C LEU A 16 5.728 -6.881 -4.136 1.00 0.00 C ATOM 222 O LEU A 16 4.592 -6.609 -4.515 1.00 0.00 O ATOM 223 CB LEU A 16 7.704 -6.566 -5.757 1.00 0.00 C ATOM 224 CG LEU A 16 8.579 -5.531 -6.498 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.612 -6.210 -7.396 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.737 -4.637 -7.399 1.00 0.00 C ATOM 0 H LEU A 16 8.775 -6.122 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 16 6.447 -5.049 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.342 -7.371 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.005 -7.009 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 16 9.071 -4.945 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.210 -5.451 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.263 -6.840 -6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.102 -6.824 -8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.383 -3.920 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.222 -5.249 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.003 -4.102 -6.797 1.00 0.00 H new ATOM 238 N GLU A 17 5.943 -7.877 -3.269 1.00 0.00 N ATOM 239 CA GLU A 17 4.855 -8.689 -2.692 1.00 0.00 C ATOM 240 C GLU A 17 3.841 -7.888 -1.851 1.00 0.00 C ATOM 241 O GLU A 17 2.729 -8.366 -1.617 1.00 0.00 O ATOM 242 CB GLU A 17 5.429 -9.833 -1.838 1.00 0.00 C ATOM 243 CG GLU A 17 6.043 -10.935 -2.702 1.00 0.00 C ATOM 244 CD GLU A 17 6.300 -12.214 -1.885 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.145 -12.201 -0.959 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.650 -13.247 -2.178 1.00 0.00 O ATOM 0 H GLU A 17 6.872 -8.146 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 17 4.308 -9.083 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.187 -9.437 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.638 -10.256 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.376 -11.161 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.980 -10.582 -3.132 1.00 0.00 H new ATOM 253 N ASN A 18 4.167 -6.662 -1.415 1.00 0.00 N ATOM 254 CA ASN A 18 3.261 -5.796 -0.655 1.00 0.00 C ATOM 255 C ASN A 18 2.031 -5.327 -1.470 1.00 0.00 C ATOM 256 O ASN A 18 1.043 -4.877 -0.885 1.00 0.00 O ATOM 257 CB ASN A 18 4.086 -4.600 -0.146 1.00 0.00 C ATOM 258 CG ASN A 18 3.515 -4.020 1.133 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.783 -3.042 1.154 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.843 -4.627 2.251 1.00 0.00 N ATOM 0 H ASN A 18 5.081 -6.241 -1.584 1.00 0.00 H new ATOM 0 HA ASN A 18 2.843 -6.365 0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.115 -4.916 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.115 -3.827 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.486 -4.282 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.454 -5.443 2.228 1.00 0.00 H new ATOM 267 N TYR A 19 2.072 -5.453 -2.803 1.00 0.00 N ATOM 268 CA TYR A 19 1.049 -4.953 -3.741 1.00 0.00 C ATOM 269 C TYR A 19 0.256 -6.080 -4.431 1.00 0.00 C ATOM 270 O TYR A 19 -0.283 -5.912 -5.528 1.00 0.00 O ATOM 271 CB TYR A 19 1.705 -3.962 -4.719 1.00 0.00 C ATOM 272 CG TYR A 19 2.562 -2.910 -4.039 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.956 -1.824 -3.381 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.961 -3.062 -4.008 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.744 -0.898 -2.677 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.754 -2.139 -3.300 1.00 0.00 C ATOM 277 CZ TYR A 19 4.144 -1.061 -2.620 1.00 0.00 C ATOM 278 OH TYR A 19 4.889 -0.180 -1.903 1.00 0.00 O ATOM 0 H TYR A 19 2.844 -5.922 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 19 0.286 -4.416 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.321 -4.517 -5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.925 -3.465 -5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.884 -1.702 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.426 -3.887 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.278 -0.061 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.828 -2.255 -3.277 1.00 0.00 H new ATOM 0 HH TYR A 19 5.785 -0.550 -1.759 1.00 0.00 H new ATOM 288 N CYS A 20 0.202 -7.250 -3.785 1.00 0.00 N ATOM 289 CA CYS A 20 -0.428 -8.474 -4.285 1.00 0.00 C ATOM 290 C CYS A 20 -1.413 -9.094 -3.282 1.00 0.00 C ATOM 291 O CYS A 20 -1.309 -8.867 -2.071 1.00 0.00 O ATOM 292 CB CYS A 20 0.680 -9.454 -4.694 1.00 0.00 C ATOM 293 SG CYS A 20 1.712 -8.804 -6.026 1.00 0.00 S ATOM 0 H CYS A 20 0.614 -7.374 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.038 -8.228 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.304 -9.675 -3.828 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.231 -10.395 -5.011 1.00 0.00 H new ATOM 383 N HIS B 5 15.856 0.714 -9.242 1.00 0.00 N ATOM 384 CA HIS B 5 14.651 1.464 -9.595 1.00 0.00 C ATOM 385 C HIS B 5 13.950 0.734 -10.756 1.00 0.00 C ATOM 386 O HIS B 5 14.603 0.217 -11.669 1.00 0.00 O ATOM 387 CB HIS B 5 14.977 2.905 -10.015 1.00 0.00 C ATOM 388 CG HIS B 5 15.391 3.831 -8.900 1.00 0.00 C ATOM 389 ND1 HIS B 5 14.843 5.067 -8.635 1.00 0.00 N ATOM 390 CD2 HIS B 5 16.435 3.658 -8.034 1.00 0.00 C ATOM 391 CE1 HIS B 5 15.553 5.633 -7.647 1.00 0.00 C ATOM 392 NE2 HIS B 5 16.529 4.804 -7.232 1.00 0.00 N ATOM 0 HA HIS B 5 14.004 1.518 -8.720 1.00 0.00 H new ATOM 0 HB2 HIS B 5 15.777 2.876 -10.755 1.00 0.00 H new ATOM 0 HB3 HIS B 5 14.101 3.328 -10.508 1.00 0.00 H new ATOM 0 HD1 HIS B 5 14.038 5.480 -9.107 1.00 0.00 H new ATOM 0 HD2 HIS B 5 17.075 2.790 -7.978 1.00 0.00 H new ATOM 0 HE1 HIS B 5 15.367 6.617 -7.241 1.00 0.00 H new ATOM 400 N LEU B 6 12.619 0.701 -10.725 1.00 0.00 N ATOM 401 CA LEU B 6 11.735 0.096 -11.722 1.00 0.00 C ATOM 402 C LEU B 6 10.506 1.001 -11.886 1.00 0.00 C ATOM 403 O LEU B 6 9.797 1.256 -10.911 1.00 0.00 O ATOM 404 CB LEU B 6 11.317 -1.320 -11.255 1.00 0.00 C ATOM 405 CG LEU B 6 12.467 -2.326 -11.039 1.00 0.00 C ATOM 406 CD1 LEU B 6 11.945 -3.565 -10.320 1.00 0.00 C ATOM 407 CD2 LEU B 6 13.114 -2.776 -12.351 1.00 0.00 C ATOM 0 H LEU B 6 12.096 1.121 -9.957 1.00 0.00 H new ATOM 0 HA LEU B 6 12.245 -0.001 -12.680 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.764 -1.225 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.630 -1.736 -11.992 1.00 0.00 H new ATOM 0 HG LEU B 6 13.220 -1.811 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.762 -4.271 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.533 -3.278 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU B 6 11.166 -4.034 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.916 -3.483 -12.138 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.365 -3.257 -12.980 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.523 -1.910 -12.871 1.00 0.00 H new ATOM 419 N CYS B 7 10.235 1.498 -13.094 1.00 0.00 N ATOM 420 CA CYS B 7 9.117 2.409 -13.359 1.00 0.00 C ATOM 421 C CYS B 7 8.361 2.041 -14.644 1.00 0.00 C ATOM 422 O CYS B 7 8.928 1.436 -15.558 1.00 0.00 O ATOM 423 CB CYS B 7 9.639 3.852 -13.355 1.00 0.00 C ATOM 424 SG CYS B 7 8.359 5.095 -13.029 1.00 0.00 S ATOM 0 H CYS B 7 10.788 1.279 -13.923 1.00 0.00 H new ATOM 0 HA CYS B 7 8.376 2.313 -12.566 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.421 3.943 -12.601 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.100 4.064 -14.320 1.00 0.00 H new ATOM 429 N GLY B 8 7.066 2.373 -14.705 1.00 0.00 N ATOM 430 CA GLY B 8 6.212 2.091 -15.865 1.00 0.00 C ATOM 431 C GLY B 8 6.104 0.588 -16.151 1.00 0.00 C ATOM 432 O GLY B 8 5.693 -0.186 -15.284 1.00 0.00 O ATOM 0 H GLY B 8 6.578 2.848 -13.946 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.216 2.498 -15.689 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.614 2.598 -16.742 1.00 0.00 H new ATOM 436 N SER B 9 6.507 0.164 -17.347 1.00 0.00 N ATOM 437 CA SER B 9 6.515 -1.247 -17.762 1.00 0.00 C ATOM 438 C SER B 9 7.429 -2.134 -16.905 1.00 0.00 C ATOM 439 O SER B 9 7.084 -3.286 -16.641 1.00 0.00 O ATOM 440 CB SER B 9 6.930 -1.355 -19.232 1.00 0.00 C ATOM 441 OG SER B 9 8.162 -0.687 -19.459 1.00 0.00 O ATOM 0 H SER B 9 6.844 0.798 -18.071 1.00 0.00 H new ATOM 0 HA SER B 9 5.498 -1.614 -17.621 1.00 0.00 H new ATOM 0 HB2 SER B 9 7.023 -2.404 -19.512 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.155 -0.924 -19.866 1.00 0.00 H new ATOM 0 HG SER B 9 8.410 -0.770 -20.404 1.00 0.00 H new ATOM 447 N HIS B 10 8.551 -1.603 -16.401 1.00 0.00 N ATOM 448 CA HIS B 10 9.485 -2.347 -15.546 1.00 0.00 C ATOM 449 C HIS B 10 8.868 -2.649 -14.174 1.00 0.00 C ATOM 450 O HIS B 10 9.052 -3.737 -13.629 1.00 0.00 O ATOM 451 CB HIS B 10 10.785 -1.549 -15.363 1.00 0.00 C ATOM 452 CG HIS B 10 11.633 -1.433 -16.601 1.00 0.00 C ATOM 453 ND1 HIS B 10 12.760 -2.177 -16.879 1.00 0.00 N ATOM 454 CD2 HIS B 10 11.476 -0.542 -17.631 1.00 0.00 C ATOM 455 CE1 HIS B 10 13.268 -1.750 -18.047 1.00 0.00 C ATOM 456 NE2 HIS B 10 12.518 -0.750 -18.547 1.00 0.00 N ATOM 0 H HIS B 10 8.838 -0.640 -16.576 1.00 0.00 H new ATOM 0 HA HIS B 10 9.704 -3.294 -16.039 1.00 0.00 H new ATOM 0 HB2 HIS B 10 10.534 -0.547 -15.016 1.00 0.00 H new ATOM 0 HB3 HIS B 10 11.376 -2.019 -14.577 1.00 0.00 H new ATOM 0 HD2 HIS B 10 10.688 0.191 -17.721 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.153 -2.152 -18.518 1.00 0.00 H new ATOM 0 HE2 HIS B 10 12.676 -0.244 -19.419 1.00 0.00 H new ATOM 464 N LEU B 11 8.110 -1.686 -13.635 1.00 0.00 N ATOM 465 CA LEU B 11 7.429 -1.799 -12.344 1.00 0.00 C ATOM 466 C LEU B 11 6.382 -2.918 -12.379 1.00 0.00 C ATOM 467 O LEU B 11 6.380 -3.776 -11.499 1.00 0.00 O ATOM 468 CB LEU B 11 6.824 -0.422 -12.017 1.00 0.00 C ATOM 469 CG LEU B 11 6.022 -0.309 -10.705 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.112 1.135 -10.197 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.534 -0.624 -10.903 1.00 0.00 C ATOM 0 H LEU B 11 7.951 -0.790 -14.095 1.00 0.00 H new ATOM 0 HA LEU B 11 8.127 -2.075 -11.553 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.635 0.306 -11.983 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.171 -0.134 -12.840 1.00 0.00 H new ATOM 0 HG LEU B 11 6.446 -1.027 -10.003 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.549 1.230 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU B 11 7.156 1.393 -10.016 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.696 1.810 -10.945 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.012 -0.531 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.106 0.076 -11.621 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.424 -1.641 -11.279 1.00 0.00 H new ATOM 483 N VAL B 12 5.524 -2.938 -13.407 1.00 0.00 N ATOM 484 CA VAL B 12 4.441 -3.933 -13.507 1.00 0.00 C ATOM 485 C VAL B 12 4.947 -5.317 -13.903 1.00 0.00 C ATOM 486 O VAL B 12 4.451 -6.308 -13.377 1.00 0.00 O ATOM 487 CB VAL B 12 3.298 -3.489 -14.434 1.00 0.00 C ATOM 488 CG1 VAL B 12 2.607 -2.246 -13.858 1.00 0.00 C ATOM 489 CG2 VAL B 12 3.721 -3.179 -15.872 1.00 0.00 C ATOM 0 H VAL B 12 5.556 -2.277 -14.183 1.00 0.00 H new ATOM 0 HA VAL B 12 4.032 -4.005 -12.499 1.00 0.00 H new ATOM 0 HB VAL B 12 2.625 -4.345 -14.480 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.799 -1.939 -14.522 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.200 -2.479 -12.874 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.331 -1.436 -13.769 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.849 -2.875 -16.450 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.454 -2.373 -15.870 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.162 -4.069 -16.321 1.00 0.00 H new ATOM 499 N GLU B 13 5.966 -5.405 -14.762 1.00 0.00 N ATOM 500 CA GLU B 13 6.567 -6.685 -15.161 1.00 0.00 C ATOM 501 C GLU B 13 7.248 -7.364 -13.965 1.00 0.00 C ATOM 502 O GLU B 13 7.047 -8.555 -13.739 1.00 0.00 O ATOM 503 CB GLU B 13 7.538 -6.461 -16.329 1.00 0.00 C ATOM 504 CG GLU B 13 8.132 -7.765 -16.873 1.00 0.00 C ATOM 505 CD GLU B 13 9.000 -7.500 -18.117 1.00 0.00 C ATOM 506 OE1 GLU B 13 10.221 -7.253 -17.974 1.00 0.00 O ATOM 507 OE2 GLU B 13 8.465 -7.558 -19.253 1.00 0.00 O ATOM 0 H GLU B 13 6.399 -4.593 -15.201 1.00 0.00 H new ATOM 0 HA GLU B 13 5.783 -7.361 -15.502 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.016 -5.943 -17.133 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.347 -5.809 -16.001 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.734 -8.244 -16.101 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.329 -8.457 -17.126 1.00 0.00 H new ATOM 514 N ALA B 14 7.997 -6.607 -13.157 1.00 0.00 N ATOM 515 CA ALA B 14 8.646 -7.122 -11.955 1.00 0.00 C ATOM 516 C ALA B 14 7.631 -7.504 -10.861 1.00 0.00 C ATOM 517 O ALA B 14 7.735 -8.582 -10.282 1.00 0.00 O ATOM 518 CB ALA B 14 9.625 -6.063 -11.459 1.00 0.00 C ATOM 0 H ALA B 14 8.169 -5.615 -13.322 1.00 0.00 H new ATOM 0 HA ALA B 14 9.177 -8.042 -12.199 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.125 -6.422 -10.560 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.367 -5.863 -12.232 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.083 -5.145 -11.231 1.00 0.00 H new ATOM 524 N LEU B 15 6.613 -6.671 -10.618 1.00 0.00 N ATOM 525 CA LEU B 15 5.537 -6.931 -9.664 1.00 0.00 C ATOM 526 C LEU B 15 4.757 -8.210 -10.028 1.00 0.00 C ATOM 527 O LEU B 15 4.519 -9.065 -9.175 1.00 0.00 O ATOM 528 CB LEU B 15 4.667 -5.656 -9.627 1.00 0.00 C ATOM 529 CG LEU B 15 3.358 -5.768 -8.854 1.00 0.00 C ATOM 530 CD1 LEU B 15 3.590 -6.108 -7.389 1.00 0.00 C ATOM 531 CD2 LEU B 15 2.583 -4.449 -8.926 1.00 0.00 C ATOM 0 H LEU B 15 6.515 -5.774 -11.094 1.00 0.00 H new ATOM 0 HA LEU B 15 5.922 -7.132 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.256 -4.849 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.438 -5.365 -10.652 1.00 0.00 H new ATOM 0 HG LEU B 15 2.786 -6.573 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.631 -6.178 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.112 -7.062 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.193 -5.328 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.651 -4.544 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.184 -3.650 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.362 -4.213 -9.967 1.00 0.00 H new ATOM 543 N TYR B 16 4.439 -8.386 -11.313 1.00 0.00 N ATOM 544 CA TYR B 16 3.775 -9.577 -11.846 1.00 0.00 C ATOM 545 C TYR B 16 4.675 -10.821 -11.764 1.00 0.00 C ATOM 546 O TYR B 16 4.215 -11.875 -11.329 1.00 0.00 O ATOM 547 CB TYR B 16 3.360 -9.276 -13.293 1.00 0.00 C ATOM 548 CG TYR B 16 2.664 -10.381 -14.065 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.795 -11.292 -13.428 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.864 -10.464 -15.458 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.141 -12.285 -14.183 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.218 -11.464 -16.214 1.00 0.00 C ATOM 553 CZ TYR B 16 1.354 -12.381 -15.575 1.00 0.00 C ATOM 554 OH TYR B 16 0.728 -13.353 -16.293 1.00 0.00 O ATOM 0 H TYR B 16 4.641 -7.687 -12.028 1.00 0.00 H new ATOM 0 HA TYR B 16 2.895 -9.807 -11.245 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.701 -8.408 -13.281 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.254 -8.990 -13.847 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.631 -11.228 -12.362 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.516 -9.757 -15.949 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.472 -12.978 -13.694 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.383 -11.529 -17.279 1.00 0.00 H new ATOM 0 HH TYR B 16 0.982 -13.278 -17.236 1.00 0.00 H new ATOM 564 N LEU B 17 5.965 -10.709 -12.102 1.00 0.00 N ATOM 565 CA LEU B 17 6.926 -11.821 -12.048 1.00 0.00 C ATOM 566 C LEU B 17 7.249 -12.254 -10.604 1.00 0.00 C ATOM 567 O LEU B 17 7.462 -13.443 -10.360 1.00 0.00 O ATOM 568 CB LEU B 17 8.192 -11.409 -12.825 1.00 0.00 C ATOM 569 CG LEU B 17 9.254 -12.513 -12.978 1.00 0.00 C ATOM 570 CD1 LEU B 17 8.750 -13.700 -13.804 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.494 -11.942 -13.666 1.00 0.00 C ATOM 0 H LEU B 17 6.377 -9.834 -12.425 1.00 0.00 H new ATOM 0 HA LEU B 17 6.480 -12.699 -12.516 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.896 -11.071 -13.818 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.647 -10.556 -12.321 1.00 0.00 H new ATOM 0 HG LEU B 17 9.488 -12.869 -11.975 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.537 -14.450 -13.881 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.878 -14.138 -13.317 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.475 -13.358 -14.802 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.244 -12.726 -13.773 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.222 -11.563 -14.651 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.902 -11.129 -13.065 1.00 0.00 H new ATOM 583 N VAL B 18 7.229 -11.322 -9.642 1.00 0.00 N ATOM 584 CA VAL B 18 7.384 -11.614 -8.205 1.00 0.00 C ATOM 585 C VAL B 18 6.142 -12.317 -7.667 1.00 0.00 C ATOM 586 O VAL B 18 6.253 -13.298 -6.926 1.00 0.00 O ATOM 587 CB VAL B 18 7.696 -10.325 -7.409 1.00 0.00 C ATOM 588 CG1 VAL B 18 7.491 -10.489 -5.899 1.00 0.00 C ATOM 589 CG2 VAL B 18 9.157 -9.929 -7.633 1.00 0.00 C ATOM 0 H VAL B 18 7.103 -10.329 -9.840 1.00 0.00 H new ATOM 0 HA VAL B 18 8.232 -12.288 -8.078 1.00 0.00 H new ATOM 0 HB VAL B 18 7.005 -9.564 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.726 -9.551 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.454 -10.758 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL B 18 8.148 -11.275 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL B 18 9.378 -9.021 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL B 18 9.808 -10.733 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.327 -9.750 -8.695 1.00 0.00 H new ATOM 599 N CYS B 19 4.949 -11.857 -8.052 1.00 0.00 N ATOM 600 CA CYS B 19 3.706 -12.436 -7.562 1.00 0.00 C ATOM 601 C CYS B 19 3.303 -13.714 -8.312 1.00 0.00 C ATOM 602 O CYS B 19 2.506 -14.482 -7.790 1.00 0.00 O ATOM 603 CB CYS B 19 2.668 -11.325 -7.456 1.00 0.00 C ATOM 604 SG CYS B 19 3.216 -10.137 -6.192 1.00 0.00 S ATOM 0 H CYS B 19 4.823 -11.083 -8.704 1.00 0.00 H new ATOM 0 HA CYS B 19 3.826 -12.829 -6.553 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.549 -10.826 -8.418 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.696 -11.740 -7.189 1.00 0.00 H new ATOM 609 N GLY B 20 3.886 -13.996 -9.482 1.00 0.00 N ATOM 610 CA GLY B 20 3.786 -15.274 -10.197 1.00 0.00 C ATOM 611 C GLY B 20 2.356 -15.777 -10.399 1.00 0.00 C ATOM 612 O GLY B 20 2.026 -16.893 -9.996 1.00 0.00 O ATOM 0 H GLY B 20 4.462 -13.315 -9.976 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.262 -15.169 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.349 -16.028 -9.647 1.00 0.00 H new ATOM 616 N GLU B 21 1.503 -14.937 -10.991 1.00 0.00 N ATOM 617 CA GLU B 21 0.072 -15.196 -11.229 1.00 0.00 C ATOM 618 C GLU B 21 -0.796 -15.351 -9.957 1.00 0.00 C ATOM 619 O GLU B 21 -1.950 -15.784 -10.056 1.00 0.00 O ATOM 620 CB GLU B 21 -0.142 -16.348 -12.241 1.00 0.00 C ATOM 621 CG GLU B 21 0.559 -16.139 -13.591 1.00 0.00 C ATOM 622 CD GLU B 21 0.327 -17.345 -14.522 1.00 0.00 C ATOM 623 OE1 GLU B 21 -0.739 -17.418 -15.182 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.211 -18.233 -14.605 1.00 0.00 O ATOM 0 H GLU B 21 1.797 -14.022 -11.332 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.302 -14.278 -11.682 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.217 -17.277 -11.798 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.211 -16.470 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.184 -15.232 -14.064 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.628 -15.997 -13.432 1.00 0.00 H new ATOM 631 N ARG B 22 -0.310 -14.944 -8.768 1.00 0.00 N ATOM 632 CA ARG B 22 -1.160 -14.859 -7.554 1.00 0.00 C ATOM 633 C ARG B 22 -2.206 -13.739 -7.640 1.00 0.00 C ATOM 634 O ARG B 22 -3.278 -13.858 -7.044 1.00 0.00 O ATOM 635 CB ARG B 22 -0.298 -14.694 -6.288 1.00 0.00 C ATOM 636 CG ARG B 22 0.403 -16.006 -5.886 1.00 0.00 C ATOM 637 CD ARG B 22 1.316 -15.832 -4.661 1.00 0.00 C ATOM 638 NE ARG B 22 2.605 -15.204 -5.012 1.00 0.00 N ATOM 639 CZ ARG B 22 3.510 -14.725 -4.175 1.00 0.00 C ATOM 640 NH1 ARG B 22 3.327 -14.665 -2.890 1.00 0.00 N ATOM 641 NH2 ARG B 22 4.656 -14.259 -4.569 1.00 0.00 N ATOM 0 H ARG B 22 0.661 -14.669 -8.618 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.705 -15.801 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.451 -13.921 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.926 -14.353 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.349 -16.765 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.993 -16.372 -6.726 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.808 -15.222 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.500 -16.805 -4.206 1.00 0.00 H new ATOM 0 HE ARG B 22 2.821 -15.132 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.452 -14.997 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.058 -14.286 -2.288 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.890 -14.252 -5.562 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.323 -13.900 -3.886 1.00 0.00 H new ATOM 655 N GLY B 23 -1.910 -12.688 -8.405 1.00 0.00 N ATOM 656 CA GLY B 23 -2.741 -11.493 -8.583 1.00 0.00 C ATOM 657 C GLY B 23 -2.140 -10.266 -7.894 1.00 0.00 C ATOM 658 O GLY B 23 -1.760 -10.313 -6.721 1.00 0.00 O ATOM 0 H GLY B 23 -1.045 -12.643 -8.943 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.859 -11.289 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.737 -11.682 -8.182 1.00 0.00 H new ATOM 662 N PHE B 24 -2.028 -9.172 -8.650 1.00 0.00 N ATOM 663 CA PHE B 24 -1.369 -7.920 -8.264 1.00 0.00 C ATOM 664 C PHE B 24 -2.180 -6.677 -8.675 1.00 0.00 C ATOM 665 O PHE B 24 -3.040 -6.744 -9.560 1.00 0.00 O ATOM 666 CB PHE B 24 0.037 -7.886 -8.883 1.00 0.00 C ATOM 667 CG PHE B 24 0.065 -7.706 -10.391 1.00 0.00 C ATOM 668 CD1 PHE B 24 -0.088 -8.818 -11.244 1.00 0.00 C ATOM 669 CD2 PHE B 24 0.230 -6.422 -10.947 1.00 0.00 C ATOM 670 CE1 PHE B 24 -0.124 -8.636 -12.638 1.00 0.00 C ATOM 671 CE2 PHE B 24 0.241 -6.248 -12.342 1.00 0.00 C ATOM 672 CZ PHE B 24 0.049 -7.355 -13.188 1.00 0.00 C ATOM 0 H PHE B 24 -2.413 -9.132 -9.594 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.298 -7.892 -7.177 1.00 0.00 H new ATOM 0 HB2 PHE B 24 0.601 -7.074 -8.424 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.552 -8.814 -8.632 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.178 -9.810 -10.827 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.349 -5.567 -10.298 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.285 -9.484 -13.288 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.397 -5.266 -12.763 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.035 -7.220 -14.259 1.00 0.00 H new