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= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.116 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= -0.0629 K(o=-0.063,f=-0.73) USER MOD Single : A 18 ASN : amide:sc=-0.00258 X(o=-0.0026,f=-0.25) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : B 5 HIS : no HE2:sc= 0.756 K(o=0.76,f=-2.5!) 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 -154:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 2.829 2.587 -5.531 1.00 0.00 N ATOM 11 CA ILE A 2 4.110 1.887 -5.787 1.00 0.00 C ATOM 12 C ILE A 2 5.101 2.661 -6.671 1.00 0.00 C ATOM 13 O ILE A 2 6.307 2.448 -6.578 1.00 0.00 O ATOM 14 CB ILE A 2 3.840 0.474 -6.342 1.00 0.00 C ATOM 15 CG1 ILE A 2 5.145 -0.350 -6.362 1.00 0.00 C ATOM 16 CG2 ILE A 2 3.144 0.547 -7.711 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.987 -1.802 -6.788 1.00 0.00 C ATOM 0 HA ILE A 2 4.610 1.812 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 2 3.149 -0.049 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.852 0.135 -7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.586 -0.326 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.964 -0.462 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.194 1.071 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.780 1.084 -8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.959 -2.294 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.309 -2.311 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.579 -1.843 -7.798 1.00 0.00 H new ATOM 29 N VAL A 3 4.643 3.618 -7.483 1.00 0.00 N ATOM 30 CA VAL A 3 5.530 4.511 -8.252 1.00 0.00 C ATOM 31 C VAL A 3 6.489 5.279 -7.321 1.00 0.00 C ATOM 32 O VAL A 3 7.662 5.460 -7.645 1.00 0.00 O ATOM 33 CB VAL A 3 4.679 5.465 -9.118 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.517 6.462 -9.923 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.832 4.678 -10.130 1.00 0.00 C ATOM 0 H VAL A 3 3.650 3.799 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 3 6.153 3.911 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 3 4.056 6.010 -8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.857 7.102 -10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.106 7.075 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.185 5.919 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.242 5.372 -10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.488 4.103 -10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.165 4.000 -9.597 1.00 0.00 H new ATOM 45 N GLU A 4 6.034 5.618 -6.114 1.00 0.00 N ATOM 46 CA GLU A 4 6.828 6.262 -5.052 1.00 0.00 C ATOM 47 C GLU A 4 7.762 5.287 -4.298 1.00 0.00 C ATOM 48 O GLU A 4 8.583 5.714 -3.484 1.00 0.00 O ATOM 49 CB GLU A 4 5.882 6.953 -4.050 1.00 0.00 C ATOM 50 CG GLU A 4 4.938 7.982 -4.691 1.00 0.00 C ATOM 51 CD GLU A 4 3.889 8.467 -3.675 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.841 7.791 -3.524 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.095 9.524 -3.028 1.00 0.00 O ATOM 0 H GLU A 4 5.068 5.448 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 4 7.473 6.991 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.286 6.193 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.479 7.450 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.514 8.831 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.439 7.538 -5.552 1.00 0.00 H new ATOM 60 N GLN A 5 7.635 3.978 -4.552 1.00 0.00 N ATOM 61 CA GLN A 5 8.463 2.906 -3.989 1.00 0.00 C ATOM 62 C GLN A 5 9.527 2.434 -4.992 1.00 0.00 C ATOM 63 O GLN A 5 10.702 2.346 -4.639 1.00 0.00 O ATOM 64 CB GLN A 5 7.551 1.738 -3.548 1.00 0.00 C ATOM 65 CG GLN A 5 8.257 0.704 -2.658 1.00 0.00 C ATOM 66 CD GLN A 5 8.708 1.274 -1.311 1.00 0.00 C ATOM 67 OE1 GLN A 5 9.889 1.427 -1.033 1.00 0.00 O ATOM 68 NE2 GLN A 5 7.797 1.603 -0.421 1.00 0.00 N ATOM 0 H GLN A 5 6.919 3.622 -5.185 1.00 0.00 H new ATOM 0 HA GLN A 5 8.997 3.290 -3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.693 2.142 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.164 1.237 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.583 -0.135 -2.483 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.125 0.311 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.807 1.482 -0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.080 1.979 0.484 1.00 0.00 H new ATOM 77 N CYS A 6 9.120 2.141 -6.232 1.00 0.00 N ATOM 78 CA CYS A 6 9.937 1.480 -7.249 1.00 0.00 C ATOM 79 C CYS A 6 10.474 2.399 -8.358 1.00 0.00 C ATOM 80 O CYS A 6 11.521 2.087 -8.917 1.00 0.00 O ATOM 81 CB CYS A 6 9.104 0.355 -7.875 1.00 0.00 C ATOM 82 SG CYS A 6 8.805 -1.103 -6.845 1.00 0.00 S ATOM 0 H CYS A 6 8.182 2.366 -6.563 1.00 0.00 H new ATOM 0 HA CYS A 6 10.824 1.107 -6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.139 0.769 -8.168 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.602 0.030 -8.788 1.00 0.00 H new ATOM 87 N CYS A 7 9.790 3.499 -8.704 1.00 0.00 N ATOM 88 CA CYS A 7 10.218 4.367 -9.810 1.00 0.00 C ATOM 89 C CYS A 7 11.054 5.565 -9.320 1.00 0.00 C ATOM 90 O CYS A 7 12.131 5.833 -9.855 1.00 0.00 O ATOM 91 CB CYS A 7 8.999 4.776 -10.643 1.00 0.00 C ATOM 92 SG CYS A 7 9.366 5.806 -12.090 1.00 0.00 S ATOM 0 H CYS A 7 8.939 3.808 -8.234 1.00 0.00 H new ATOM 0 HA CYS A 7 10.890 3.807 -10.460 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.489 3.873 -10.979 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.303 5.315 -10.000 1.00 0.00 H new ATOM 97 N THR A 8 10.615 6.253 -8.256 1.00 0.00 N ATOM 98 CA THR A 8 11.354 7.391 -7.660 1.00 0.00 C ATOM 99 C THR A 8 12.489 6.973 -6.712 1.00 0.00 C ATOM 100 O THR A 8 13.339 7.794 -6.362 1.00 0.00 O ATOM 101 CB THR A 8 10.412 8.351 -6.917 1.00 0.00 C ATOM 102 OG1 THR A 8 9.813 7.682 -5.832 1.00 0.00 O ATOM 103 CG2 THR A 8 9.296 8.904 -7.806 1.00 0.00 C ATOM 0 H THR A 8 9.738 6.041 -7.780 1.00 0.00 H new ATOM 0 HA THR A 8 11.809 7.897 -8.511 1.00 0.00 H new ATOM 0 HB THR A 8 11.026 9.188 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.214 8.297 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.665 9.575 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.733 9.451 -8.641 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.693 8.080 -8.188 1.00 0.00 H new ATOM 111 N SER A 9 12.527 5.698 -6.310 1.00 0.00 N ATOM 112 CA SER A 9 13.561 5.080 -5.462 1.00 0.00 C ATOM 113 C SER A 9 13.766 3.602 -5.839 1.00 0.00 C ATOM 114 O SER A 9 13.011 3.057 -6.643 1.00 0.00 O ATOM 115 CB SER A 9 13.153 5.217 -3.990 1.00 0.00 C ATOM 116 OG SER A 9 14.261 4.958 -3.142 1.00 0.00 O ATOM 0 H SER A 9 11.802 5.033 -6.579 1.00 0.00 H new ATOM 0 HA SER A 9 14.510 5.593 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.772 6.221 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.344 4.522 -3.764 1.00 0.00 H new ATOM 0 HG SER A 9 13.985 5.051 -2.206 1.00 0.00 H new ATOM 122 N ILE A 10 14.768 2.935 -5.262 1.00 0.00 N ATOM 123 CA ILE A 10 14.971 1.480 -5.410 1.00 0.00 C ATOM 124 C ILE A 10 13.922 0.711 -4.589 1.00 0.00 C ATOM 125 O ILE A 10 13.660 1.051 -3.431 1.00 0.00 O ATOM 126 CB ILE A 10 16.415 1.081 -5.022 1.00 0.00 C ATOM 127 CG1 ILE A 10 17.411 1.729 -6.009 1.00 0.00 C ATOM 128 CG2 ILE A 10 16.571 -0.452 -4.975 1.00 0.00 C ATOM 129 CD1 ILE A 10 18.889 1.408 -5.747 1.00 0.00 C ATOM 0 H ILE A 10 15.469 3.386 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 10 14.836 1.210 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 10 16.633 1.451 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.159 1.407 -7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 10 17.279 2.810 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.595 -0.705 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.884 -0.865 -4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.344 -0.871 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.508 1.908 -6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 10 19.166 1.756 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 10 19.044 0.331 -5.811 1.00 0.00 H new ATOM 141 N CYS A 11 13.386 -0.378 -5.151 1.00 0.00 N ATOM 142 CA CYS A 11 12.543 -1.349 -4.447 1.00 0.00 C ATOM 143 C CYS A 11 13.061 -2.784 -4.614 1.00 0.00 C ATOM 144 O CYS A 11 13.892 -3.072 -5.484 1.00 0.00 O ATOM 145 CB CYS A 11 11.082 -1.192 -4.888 1.00 0.00 C ATOM 146 SG CYS A 11 10.667 -1.851 -6.522 1.00 0.00 S ATOM 0 H CYS A 11 13.530 -0.614 -6.133 1.00 0.00 H new ATOM 0 HA CYS A 11 12.591 -1.141 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.447 -1.681 -4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.831 -0.131 -4.872 1.00 0.00 H new ATOM 151 N SER A 12 12.550 -3.675 -3.763 1.00 0.00 N ATOM 152 CA SER A 12 12.995 -5.067 -3.620 1.00 0.00 C ATOM 153 C SER A 12 11.800 -6.020 -3.483 1.00 0.00 C ATOM 154 O SER A 12 10.676 -5.582 -3.239 1.00 0.00 O ATOM 155 CB SER A 12 13.908 -5.194 -2.388 1.00 0.00 C ATOM 156 OG SER A 12 15.009 -4.299 -2.463 1.00 0.00 O ATOM 0 H SER A 12 11.786 -3.441 -3.129 1.00 0.00 H new ATOM 0 HA SER A 12 13.548 -5.344 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.333 -4.990 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.274 -6.218 -2.309 1.00 0.00 H new ATOM 0 HG SER A 12 15.569 -4.402 -1.666 1.00 0.00 H new ATOM 162 N LEU A 13 12.048 -7.332 -3.553 1.00 0.00 N ATOM 163 CA LEU A 13 11.107 -8.433 -3.261 1.00 0.00 C ATOM 164 C LEU A 13 10.241 -8.141 -2.025 1.00 0.00 C ATOM 165 O LEU A 13 9.017 -8.258 -2.072 1.00 0.00 O ATOM 166 CB LEU A 13 11.984 -9.696 -3.073 1.00 0.00 C ATOM 167 CG LEU A 13 11.342 -11.046 -2.695 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.882 -11.146 -1.239 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.181 -11.402 -3.610 1.00 0.00 C ATOM 0 H LEU A 13 12.965 -7.681 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 13 10.393 -8.567 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.531 -9.849 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.721 -9.464 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 13 12.151 -11.765 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.443 -12.128 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.737 -11.006 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.138 -10.375 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.759 -12.360 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.414 -10.630 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.536 -11.471 -4.638 1.00 0.00 H new ATOM 181 N TYR A 14 10.879 -7.669 -0.951 1.00 0.00 N ATOM 182 CA TYR A 14 10.245 -7.415 0.347 1.00 0.00 C ATOM 183 C TYR A 14 9.257 -6.235 0.336 1.00 0.00 C ATOM 184 O TYR A 14 8.425 -6.116 1.238 1.00 0.00 O ATOM 185 CB TYR A 14 11.339 -7.205 1.405 1.00 0.00 C ATOM 186 CG TYR A 14 12.352 -8.336 1.481 1.00 0.00 C ATOM 187 CD1 TYR A 14 11.992 -9.561 2.074 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.638 -8.170 0.928 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.912 -10.625 2.108 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.561 -9.234 0.961 1.00 0.00 C ATOM 191 CZ TYR A 14 14.200 -10.467 1.550 1.00 0.00 C ATOM 192 OH TYR A 14 15.098 -11.490 1.574 1.00 0.00 O ATOM 0 H TYR A 14 11.875 -7.447 -0.959 1.00 0.00 H new ATOM 0 HA TYR A 14 9.643 -8.290 0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.864 -6.275 1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.868 -7.087 2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.009 -9.684 2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.916 -7.228 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.633 -11.564 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.546 -9.107 0.536 1.00 0.00 H new ATOM 0 HH TYR A 14 15.931 -11.204 1.145 1.00 0.00 H new ATOM 202 N GLN A 15 9.323 -5.380 -0.691 1.00 0.00 N ATOM 203 CA GLN A 15 8.324 -4.345 -0.980 1.00 0.00 C ATOM 204 C GLN A 15 7.326 -4.819 -2.045 1.00 0.00 C ATOM 205 O GLN A 15 6.124 -4.612 -1.903 1.00 0.00 O ATOM 206 CB GLN A 15 9.017 -3.041 -1.418 1.00 0.00 C ATOM 207 CG GLN A 15 9.854 -2.384 -0.305 1.00 0.00 C ATOM 208 CD GLN A 15 9.028 -1.879 0.884 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.806 -1.786 0.860 1.00 0.00 O ATOM 210 NE2 GLN A 15 9.670 -1.528 1.977 1.00 0.00 N ATOM 0 H GLN A 15 10.092 -5.389 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 15 7.762 -4.149 -0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.663 -3.251 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.260 -2.334 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.588 -3.104 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.410 -1.548 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.687 -1.598 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.151 -1.186 2.786 1.00 0.00 H new ATOM 219 N LEU A 16 7.804 -5.497 -3.091 1.00 0.00 N ATOM 220 CA LEU A 16 7.000 -5.961 -4.228 1.00 0.00 C ATOM 221 C LEU A 16 5.878 -6.934 -3.810 1.00 0.00 C ATOM 222 O LEU A 16 4.771 -6.858 -4.341 1.00 0.00 O ATOM 223 CB LEU A 16 7.951 -6.571 -5.276 1.00 0.00 C ATOM 224 CG LEU A 16 8.745 -5.537 -6.094 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.868 -6.221 -6.870 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.877 -4.813 -7.119 1.00 0.00 C ATOM 0 H LEU A 16 8.790 -5.746 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 16 6.476 -5.111 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.654 -7.232 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.369 -7.188 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 16 9.134 -4.819 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.420 -5.476 -7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.544 -6.716 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.443 -6.960 -7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.486 -4.095 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.454 -5.538 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.071 -4.288 -6.607 1.00 0.00 H new ATOM 238 N GLU A 17 6.091 -7.784 -2.801 1.00 0.00 N ATOM 239 CA GLU A 17 5.036 -8.656 -2.254 1.00 0.00 C ATOM 240 C GLU A 17 3.854 -7.900 -1.620 1.00 0.00 C ATOM 241 O GLU A 17 2.752 -8.451 -1.537 1.00 0.00 O ATOM 242 CB GLU A 17 5.640 -9.620 -1.219 1.00 0.00 C ATOM 243 CG GLU A 17 6.474 -10.702 -1.903 1.00 0.00 C ATOM 244 CD GLU A 17 6.842 -11.838 -0.921 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.434 -11.562 0.153 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.529 -13.018 -1.213 1.00 0.00 O ATOM 0 H GLU A 17 6.994 -7.890 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 17 4.629 -9.200 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.263 -9.064 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.842 -10.083 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.918 -11.114 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.385 -10.260 -2.308 1.00 0.00 H new ATOM 253 N ASN A 18 4.027 -6.634 -1.218 1.00 0.00 N ATOM 254 CA ASN A 18 2.986 -5.850 -0.543 1.00 0.00 C ATOM 255 C ASN A 18 1.869 -5.357 -1.488 1.00 0.00 C ATOM 256 O ASN A 18 0.879 -4.792 -1.014 1.00 0.00 O ATOM 257 CB ASN A 18 3.641 -4.680 0.213 1.00 0.00 C ATOM 258 CG ASN A 18 4.661 -5.113 1.256 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.603 -6.195 1.828 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.617 -4.271 1.573 1.00 0.00 N ATOM 0 H ASN A 18 4.899 -6.122 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 18 2.486 -6.513 0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.129 -4.023 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.862 -4.095 0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.300 -4.521 2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.677 -3.367 1.104 1.00 0.00 H new ATOM 267 N TYR A 19 2.002 -5.581 -2.803 1.00 0.00 N ATOM 268 CA TYR A 19 1.044 -5.118 -3.827 1.00 0.00 C ATOM 269 C TYR A 19 0.337 -6.259 -4.585 1.00 0.00 C ATOM 270 O TYR A 19 -0.518 -5.995 -5.433 1.00 0.00 O ATOM 271 CB TYR A 19 1.746 -4.150 -4.787 1.00 0.00 C ATOM 272 CG TYR A 19 2.513 -3.029 -4.116 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.856 -1.858 -3.689 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.899 -3.176 -3.918 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.584 -0.844 -3.031 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.627 -2.168 -3.261 1.00 0.00 C ATOM 277 CZ TYR A 19 3.968 -1.004 -2.805 1.00 0.00 C ATOM 278 OH TYR A 19 4.657 -0.036 -2.145 1.00 0.00 O ATOM 0 H TYR A 19 2.790 -6.097 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 19 0.244 -4.596 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.435 -4.718 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.999 -3.713 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.797 -1.737 -3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.403 -4.063 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.083 0.054 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.689 -2.283 -3.105 1.00 0.00 H new ATOM 0 HH TYR A 19 5.525 -0.390 -1.859 1.00 0.00 H new ATOM 288 N CYS A 20 0.674 -7.517 -4.288 1.00 0.00 N ATOM 289 CA CYS A 20 0.016 -8.719 -4.810 1.00 0.00 C ATOM 290 C CYS A 20 -1.237 -9.073 -3.977 1.00 0.00 C ATOM 291 O CYS A 20 -1.259 -8.824 -2.766 1.00 0.00 O ATOM 292 CB CYS A 20 1.056 -9.841 -4.823 1.00 0.00 C ATOM 293 SG CYS A 20 0.550 -11.428 -5.528 1.00 0.00 S ATOM 0 H CYS A 20 1.442 -7.735 -3.653 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.348 -8.556 -5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.927 -9.488 -5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.379 -10.015 -3.796 1.00 0.00 H new ATOM 383 N HIS B 5 16.067 0.956 -9.725 1.00 0.00 N ATOM 384 CA HIS B 5 14.836 1.665 -10.097 1.00 0.00 C ATOM 385 C HIS B 5 14.092 0.897 -11.203 1.00 0.00 C ATOM 386 O HIS B 5 14.702 0.362 -12.133 1.00 0.00 O ATOM 387 CB HIS B 5 15.130 3.095 -10.569 1.00 0.00 C ATOM 388 CG HIS B 5 15.507 4.058 -9.469 1.00 0.00 C ATOM 389 ND1 HIS B 5 14.857 5.231 -9.167 1.00 0.00 N ATOM 390 CD2 HIS B 5 16.592 3.976 -8.643 1.00 0.00 C ATOM 391 CE1 HIS B 5 15.547 5.853 -8.195 1.00 0.00 C ATOM 392 NE2 HIS B 5 16.613 5.118 -7.832 1.00 0.00 N ATOM 0 HA HIS B 5 14.208 1.723 -9.208 1.00 0.00 H new ATOM 0 HB2 HIS B 5 15.939 3.063 -11.298 1.00 0.00 H new ATOM 0 HB3 HIS B 5 14.251 3.481 -11.085 1.00 0.00 H new ATOM 0 HD1 HIS B 5 14.000 5.570 -9.604 1.00 0.00 H new ATOM 0 HD2 HIS B 5 17.310 3.170 -8.619 1.00 0.00 H new ATOM 0 HE1 HIS B 5 15.282 6.808 -7.766 1.00 0.00 H new ATOM 400 N LEU B 6 12.769 0.869 -11.098 1.00 0.00 N ATOM 401 CA LEU B 6 11.827 0.190 -11.993 1.00 0.00 C ATOM 402 C LEU B 6 10.598 1.091 -12.210 1.00 0.00 C ATOM 403 O LEU B 6 9.822 1.329 -11.284 1.00 0.00 O ATOM 404 CB LEU B 6 11.411 -1.155 -11.360 1.00 0.00 C ATOM 405 CG LEU B 6 12.542 -2.165 -11.109 1.00 0.00 C ATOM 406 CD1 LEU B 6 12.028 -3.302 -10.232 1.00 0.00 C ATOM 407 CD2 LEU B 6 13.090 -2.784 -12.393 1.00 0.00 C ATOM 0 H LEU B 6 12.290 1.350 -10.337 1.00 0.00 H new ATOM 0 HA LEU B 6 12.294 -0.004 -12.959 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.919 -0.949 -10.410 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.670 -1.624 -12.008 1.00 0.00 H new ATOM 0 HG LEU B 6 13.346 -1.609 -10.626 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.832 -4.017 -10.055 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.684 -2.900 -9.279 1.00 0.00 H new ATOM 0 HD13 LEU B 6 11.200 -3.803 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.885 -3.488 -12.147 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.289 -3.309 -12.914 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.487 -1.998 -13.035 1.00 0.00 H new ATOM 419 N CYS B 7 10.418 1.587 -13.436 1.00 0.00 N ATOM 420 CA CYS B 7 9.305 2.459 -13.823 1.00 0.00 C ATOM 421 C CYS B 7 8.410 1.793 -14.879 1.00 0.00 C ATOM 422 O CYS B 7 8.902 1.108 -15.779 1.00 0.00 O ATOM 423 CB CYS B 7 9.858 3.794 -14.344 1.00 0.00 C ATOM 424 SG CYS B 7 10.786 4.796 -13.147 1.00 0.00 S ATOM 0 H CYS B 7 11.057 1.389 -14.206 1.00 0.00 H new ATOM 0 HA CYS B 7 8.687 2.643 -12.944 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.507 3.588 -15.195 1.00 0.00 H new ATOM 0 HB3 CYS B 7 9.024 4.389 -14.716 1.00 0.00 H new ATOM 429 N GLY B 8 7.096 2.008 -14.780 1.00 0.00 N ATOM 430 CA GLY B 8 6.118 1.610 -15.806 1.00 0.00 C ATOM 431 C GLY B 8 6.143 0.108 -16.123 1.00 0.00 C ATOM 432 O GLY B 8 5.846 -0.718 -15.260 1.00 0.00 O ATOM 0 H GLY B 8 6.672 2.469 -13.975 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.118 1.886 -15.471 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.314 2.170 -16.720 1.00 0.00 H new ATOM 436 N SER B 9 6.532 -0.252 -17.350 1.00 0.00 N ATOM 437 CA SER B 9 6.648 -1.647 -17.808 1.00 0.00 C ATOM 438 C SER B 9 7.625 -2.486 -16.974 1.00 0.00 C ATOM 439 O SER B 9 7.359 -3.662 -16.717 1.00 0.00 O ATOM 440 CB SER B 9 7.064 -1.674 -19.279 1.00 0.00 C ATOM 441 OG SER B 9 8.260 -0.936 -19.492 1.00 0.00 O ATOM 0 H SER B 9 6.780 0.428 -18.069 1.00 0.00 H new ATOM 0 HA SER B 9 5.665 -2.100 -17.681 1.00 0.00 H new ATOM 0 HB2 SER B 9 7.209 -2.706 -19.599 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.264 -1.259 -19.893 1.00 0.00 H new ATOM 0 HG SER B 9 8.502 -0.973 -20.441 1.00 0.00 H new ATOM 447 N HIS B 10 8.714 -1.888 -16.471 1.00 0.00 N ATOM 448 CA HIS B 10 9.688 -2.565 -15.606 1.00 0.00 C ATOM 449 C HIS B 10 9.096 -2.863 -14.223 1.00 0.00 C ATOM 450 O HIS B 10 9.347 -3.923 -13.644 1.00 0.00 O ATOM 451 CB HIS B 10 10.941 -1.695 -15.464 1.00 0.00 C ATOM 452 CG HIS B 10 11.771 -1.563 -16.712 1.00 0.00 C ATOM 453 ND1 HIS B 10 12.989 -2.161 -16.931 1.00 0.00 N ATOM 454 CD2 HIS B 10 11.506 -0.780 -17.805 1.00 0.00 C ATOM 455 CE1 HIS B 10 13.452 -1.754 -18.124 1.00 0.00 C ATOM 456 NE2 HIS B 10 12.576 -0.908 -18.703 1.00 0.00 N ATOM 0 H HIS B 10 8.945 -0.912 -16.655 1.00 0.00 H new ATOM 0 HA HIS B 10 9.952 -3.516 -16.068 1.00 0.00 H new ATOM 0 HB2 HIS B 10 10.638 -0.699 -15.141 1.00 0.00 H new ATOM 0 HB3 HIS B 10 11.565 -2.111 -14.673 1.00 0.00 H new ATOM 0 HD2 HIS B 10 10.626 -0.170 -17.950 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.392 -2.061 -18.558 1.00 0.00 H new ATOM 0 HE2 HIS B 10 12.672 -0.453 -19.611 1.00 0.00 H new ATOM 464 N LEU B 11 8.286 -1.935 -13.703 1.00 0.00 N ATOM 465 CA LEU B 11 7.608 -2.057 -12.417 1.00 0.00 C ATOM 466 C LEU B 11 6.586 -3.196 -12.448 1.00 0.00 C ATOM 467 O LEU B 11 6.617 -4.057 -11.569 1.00 0.00 O ATOM 468 CB LEU B 11 6.993 -0.689 -12.069 1.00 0.00 C ATOM 469 CG LEU B 11 6.244 -0.611 -10.725 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.246 0.850 -10.258 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.780 -1.054 -10.846 1.00 0.00 C ATOM 0 H LEU B 11 8.081 -1.057 -14.181 1.00 0.00 H new ATOM 0 HA LEU B 11 8.311 -2.323 -11.628 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.790 0.055 -12.063 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.302 -0.410 -12.865 1.00 0.00 H new ATOM 0 HG LEU B 11 6.750 -1.275 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.720 0.929 -9.307 1.00 0.00 H new ATOM 0 HD12 LEU B 11 7.274 1.191 -10.134 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.746 1.470 -11.002 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.296 -0.981 -9.872 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.263 -0.410 -11.558 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.740 -2.086 -11.194 1.00 0.00 H new ATOM 483 N VAL B 12 5.714 -3.239 -13.461 1.00 0.00 N ATOM 484 CA VAL B 12 4.653 -4.256 -13.528 1.00 0.00 C ATOM 485 C VAL B 12 5.191 -5.648 -13.852 1.00 0.00 C ATOM 486 O VAL B 12 4.689 -6.628 -13.317 1.00 0.00 O ATOM 487 CB VAL B 12 3.512 -3.882 -14.487 1.00 0.00 C ATOM 488 CG1 VAL B 12 2.769 -2.645 -13.970 1.00 0.00 C ATOM 489 CG2 VAL B 12 3.951 -3.637 -15.934 1.00 0.00 C ATOM 0 H VAL B 12 5.720 -2.585 -14.244 1.00 0.00 H new ATOM 0 HA VAL B 12 4.232 -4.285 -12.523 1.00 0.00 H new ATOM 0 HB VAL B 12 2.857 -4.753 -14.507 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.963 -2.390 -14.658 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.352 -2.856 -12.985 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.463 -1.807 -13.898 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.082 -3.379 -16.539 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.669 -2.818 -15.963 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.415 -4.540 -16.331 1.00 0.00 H new ATOM 499 N GLU B 13 6.253 -5.752 -14.658 1.00 0.00 N ATOM 500 CA GLU B 13 6.911 -7.035 -14.951 1.00 0.00 C ATOM 501 C GLU B 13 7.573 -7.626 -13.697 1.00 0.00 C ATOM 502 O GLU B 13 7.381 -8.805 -13.398 1.00 0.00 O ATOM 503 CB GLU B 13 7.919 -6.848 -16.098 1.00 0.00 C ATOM 504 CG GLU B 13 8.568 -8.170 -16.533 1.00 0.00 C ATOM 505 CD GLU B 13 9.474 -7.962 -17.764 1.00 0.00 C ATOM 506 OE1 GLU B 13 10.672 -7.624 -17.599 1.00 0.00 O ATOM 507 OE2 GLU B 13 9.000 -8.153 -18.913 1.00 0.00 O ATOM 0 H GLU B 13 6.682 -4.953 -15.126 1.00 0.00 H new ATOM 0 HA GLU B 13 6.156 -7.754 -15.270 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.413 -6.397 -16.952 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.696 -6.152 -15.784 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.154 -8.579 -15.710 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.793 -8.900 -16.766 1.00 0.00 H new ATOM 514 N ALA B 14 8.280 -6.805 -12.913 1.00 0.00 N ATOM 515 CA ALA B 14 8.879 -7.228 -11.647 1.00 0.00 C ATOM 516 C ALA B 14 7.823 -7.594 -10.590 1.00 0.00 C ATOM 517 O ALA B 14 7.931 -8.630 -9.932 1.00 0.00 O ATOM 518 CB ALA B 14 9.779 -6.097 -11.147 1.00 0.00 C ATOM 0 H ALA B 14 8.452 -5.826 -13.141 1.00 0.00 H new ATOM 0 HA ALA B 14 9.460 -8.134 -11.817 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.238 -6.388 -10.202 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.558 -5.899 -11.883 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.183 -5.197 -10.998 1.00 0.00 H new ATOM 524 N LEU B 15 6.767 -6.787 -10.453 1.00 0.00 N ATOM 525 CA LEU B 15 5.669 -7.039 -9.523 1.00 0.00 C ATOM 526 C LEU B 15 4.869 -8.299 -9.914 1.00 0.00 C ATOM 527 O LEU B 15 4.538 -9.100 -9.045 1.00 0.00 O ATOM 528 CB LEU B 15 4.845 -5.739 -9.422 1.00 0.00 C ATOM 529 CG LEU B 15 3.534 -5.857 -8.646 1.00 0.00 C ATOM 530 CD1 LEU B 15 3.727 -6.354 -7.215 1.00 0.00 C ATOM 531 CD2 LEU B 15 2.834 -4.497 -8.592 1.00 0.00 C ATOM 0 H LEU B 15 6.652 -5.930 -10.993 1.00 0.00 H new ATOM 0 HA LEU B 15 6.034 -7.280 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.461 -4.974 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.621 -5.390 -10.430 1.00 0.00 H new ATOM 0 HG LEU B 15 2.930 -6.591 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.759 -6.416 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.190 -7.341 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.370 -5.661 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.900 -4.590 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.481 -3.774 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.621 -4.157 -9.605 1.00 0.00 H new ATOM 543 N TYR B 16 4.643 -8.556 -11.205 1.00 0.00 N ATOM 544 CA TYR B 16 4.005 -9.783 -11.702 1.00 0.00 C ATOM 545 C TYR B 16 4.883 -11.027 -11.501 1.00 0.00 C ATOM 546 O TYR B 16 4.367 -12.076 -11.102 1.00 0.00 O ATOM 547 CB TYR B 16 3.652 -9.584 -13.182 1.00 0.00 C ATOM 548 CG TYR B 16 2.880 -10.724 -13.811 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.473 -10.742 -13.750 1.00 0.00 C ATOM 550 CD2 TYR B 16 3.567 -11.759 -14.473 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.753 -11.783 -14.366 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.851 -12.809 -15.080 1.00 0.00 C ATOM 553 CZ TYR B 16 1.439 -12.817 -15.036 1.00 0.00 C ATOM 554 OH TYR B 16 0.732 -13.821 -15.623 1.00 0.00 O ATOM 0 H TYR B 16 4.902 -7.908 -11.949 1.00 0.00 H new ATOM 0 HA TYR B 16 3.099 -9.964 -11.123 1.00 0.00 H new ATOM 0 HB2 TYR B 16 3.067 -8.670 -13.281 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.574 -9.435 -13.744 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.946 -9.956 -13.230 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.646 -11.748 -14.516 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.326 -11.790 -14.325 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.381 -13.607 -15.579 1.00 0.00 H new ATOM 0 HH TYR B 16 1.288 -14.626 -15.674 1.00 0.00 H new ATOM 564 N LEU B 17 6.205 -10.912 -11.684 1.00 0.00 N ATOM 565 CA LEU B 17 7.164 -11.988 -11.400 1.00 0.00 C ATOM 566 C LEU B 17 7.225 -12.332 -9.898 1.00 0.00 C ATOM 567 O LEU B 17 7.306 -13.508 -9.541 1.00 0.00 O ATOM 568 CB LEU B 17 8.537 -11.562 -11.956 1.00 0.00 C ATOM 569 CG LEU B 17 9.673 -12.582 -11.757 1.00 0.00 C ATOM 570 CD1 LEU B 17 9.401 -13.913 -12.460 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.975 -12.007 -12.315 1.00 0.00 C ATOM 0 H LEU B 17 6.643 -10.061 -12.037 1.00 0.00 H new ATOM 0 HA LEU B 17 6.840 -12.906 -11.891 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.433 -11.363 -13.023 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.827 -10.624 -11.483 1.00 0.00 H new ATOM 0 HG LEU B 17 9.745 -12.771 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.234 -14.593 -12.286 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.485 -14.353 -12.065 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.289 -13.743 -13.531 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.781 -12.728 -12.175 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.855 -11.799 -13.378 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.219 -11.083 -11.790 1.00 0.00 H new ATOM 583 N VAL B 18 7.122 -11.331 -9.015 1.00 0.00 N ATOM 584 CA VAL B 18 7.096 -11.522 -7.553 1.00 0.00 C ATOM 585 C VAL B 18 5.739 -12.056 -7.069 1.00 0.00 C ATOM 586 O VAL B 18 5.688 -12.931 -6.207 1.00 0.00 O ATOM 587 CB VAL B 18 7.495 -10.212 -6.838 1.00 0.00 C ATOM 588 CG1 VAL B 18 7.183 -10.241 -5.338 1.00 0.00 C ATOM 589 CG2 VAL B 18 8.999 -9.967 -7.008 1.00 0.00 C ATOM 0 H VAL B 18 7.053 -10.353 -9.295 1.00 0.00 H new ATOM 0 HA VAL B 18 7.831 -12.284 -7.295 1.00 0.00 H new ATOM 0 HB VAL B 18 6.909 -9.414 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.484 -9.296 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.113 -10.389 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.730 -11.058 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL B 18 9.276 -9.042 -6.502 1.00 0.00 H new ATOM 0 HG22 VAL B 18 9.554 -10.798 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.237 -9.886 -8.069 1.00 0.00 H new ATOM 599 N CYS B 19 4.642 -11.585 -7.665 1.00 0.00 N ATOM 600 CA CYS B 19 3.285 -12.060 -7.397 1.00 0.00 C ATOM 601 C CYS B 19 3.028 -13.468 -7.975 1.00 0.00 C ATOM 602 O CYS B 19 2.127 -14.177 -7.528 1.00 0.00 O ATOM 603 CB CYS B 19 2.332 -11.001 -7.971 1.00 0.00 C ATOM 604 SG CYS B 19 0.578 -11.112 -7.535 1.00 0.00 S ATOM 0 H CYS B 19 4.675 -10.844 -8.365 1.00 0.00 H new ATOM 0 HA CYS B 19 3.123 -12.177 -6.326 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.693 -10.022 -7.657 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.409 -11.036 -9.058 1.00 0.00 H new ATOM 609 N GLY B 20 3.844 -13.890 -8.944 1.00 0.00 N ATOM 610 CA GLY B 20 3.875 -15.234 -9.520 1.00 0.00 C ATOM 611 C GLY B 20 2.586 -15.606 -10.249 1.00 0.00 C ATOM 612 O GLY B 20 1.979 -16.642 -9.979 1.00 0.00 O ATOM 0 H GLY B 20 4.535 -13.271 -9.368 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.711 -15.305 -10.215 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.058 -15.958 -8.726 1.00 0.00 H new ATOM 616 N GLU B 21 2.161 -14.732 -11.161 1.00 0.00 N ATOM 617 CA GLU B 21 0.940 -14.857 -11.978 1.00 0.00 C ATOM 618 C GLU B 21 -0.389 -14.840 -11.181 1.00 0.00 C ATOM 619 O GLU B 21 -1.453 -15.097 -11.747 1.00 0.00 O ATOM 620 CB GLU B 21 1.019 -16.056 -12.952 1.00 0.00 C ATOM 621 CG GLU B 21 2.375 -16.227 -13.655 1.00 0.00 C ATOM 622 CD GLU B 21 2.245 -17.132 -14.896 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.227 -18.380 -14.747 1.00 0.00 O ATOM 624 OE2 GLU B 21 2.169 -16.599 -16.032 1.00 0.00 O ATOM 0 H GLU B 21 2.677 -13.876 -11.365 1.00 0.00 H new ATOM 0 HA GLU B 21 0.911 -13.942 -12.569 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.794 -16.969 -12.401 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.244 -15.942 -13.710 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.760 -15.251 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.097 -16.658 -12.961 1.00 0.00 H new ATOM 631 N ARG B 22 -0.357 -14.509 -9.879 1.00 0.00 N ATOM 632 CA ARG B 22 -1.559 -14.470 -9.015 1.00 0.00 C ATOM 633 C ARG B 22 -2.439 -13.234 -9.269 1.00 0.00 C ATOM 634 O ARG B 22 -3.646 -13.278 -9.039 1.00 0.00 O ATOM 635 CB ARG B 22 -1.108 -14.554 -7.545 1.00 0.00 C ATOM 636 CG ARG B 22 -2.219 -14.948 -6.557 1.00 0.00 C ATOM 637 CD ARG B 22 -1.909 -14.456 -5.138 1.00 0.00 C ATOM 638 NE ARG B 22 -0.650 -15.009 -4.601 1.00 0.00 N ATOM 639 CZ ARG B 22 -0.010 -14.584 -3.524 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.450 -13.605 -2.785 1.00 0.00 N ATOM 641 NH2 ARG B 22 1.106 -15.153 -3.164 1.00 0.00 N ATOM 0 H ARG B 22 0.503 -14.260 -9.391 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.189 -15.325 -9.259 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.297 -15.279 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.701 -13.588 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.169 -14.529 -6.889 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.334 -16.032 -6.550 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.850 -13.368 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.731 -14.729 -4.476 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.235 -15.791 -5.107 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.321 -13.134 -3.029 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.077 -13.310 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.485 -15.925 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.600 -14.826 -2.334 1.00 0.00 H new ATOM 655 N GLY B 23 -1.835 -12.150 -9.764 1.00 0.00 N ATOM 656 CA GLY B 23 -2.462 -10.847 -10.026 1.00 0.00 C ATOM 657 C GLY B 23 -2.271 -9.836 -8.888 1.00 0.00 C ATOM 658 O GLY B 23 -2.469 -10.140 -7.710 1.00 0.00 O ATOM 0 H GLY B 23 -0.844 -12.156 -10.006 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.047 -10.431 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.529 -10.994 -10.196 1.00 0.00 H new ATOM 662 N PHE B 24 -1.867 -8.619 -9.248 1.00 0.00 N ATOM 663 CA PHE B 24 -1.539 -7.512 -8.347 1.00 0.00 C ATOM 664 C PHE B 24 -2.534 -6.337 -8.444 1.00 0.00 C ATOM 665 O PHE B 24 -3.315 -6.230 -9.392 1.00 0.00 O ATOM 666 CB PHE B 24 -0.088 -7.086 -8.619 1.00 0.00 C ATOM 667 CG PHE B 24 0.141 -6.514 -10.007 1.00 0.00 C ATOM 668 CD1 PHE B 24 -0.065 -5.141 -10.236 1.00 0.00 C ATOM 669 CD2 PHE B 24 0.534 -7.346 -11.073 1.00 0.00 C ATOM 670 CE1 PHE B 24 0.120 -4.599 -11.517 1.00 0.00 C ATOM 671 CE2 PHE B 24 0.724 -6.800 -12.356 1.00 0.00 C ATOM 672 CZ PHE B 24 0.512 -5.430 -12.581 1.00 0.00 C ATOM 0 H PHE B 24 -1.753 -8.363 -10.229 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.630 -7.853 -7.316 1.00 0.00 H new ATOM 0 HB2 PHE B 24 0.206 -6.342 -7.878 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.564 -7.948 -8.481 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.367 -4.500 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.689 -8.402 -10.906 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.039 -3.544 -11.685 1.00 0.00 H new ATOM 0 HE2 PHE B 24 1.034 -7.437 -13.171 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.650 -5.016 -13.569 1.00 0.00 H new