USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 1 GLU N :NH3+ -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 3 TYR OH : rot -167:sc= 1.03 USER MOD Single : A 7 SER OG : rot -92:sc= 0.767 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.585 K(o=-0.59,f=-2.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 0:sc= -0.812 USER MOD Single : A 25 HIS : no HE2:sc= -7.46! C(o=-7.5!,f=-3.4!) USER MOD Single : A 27 THR OG1 : rot 142:sc= -4.12! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.7 K(o=-3.7,f=-13!) USER MOD Single : A 33 ASN : amide:sc=-0.000978 X(o=-0.00098,f=-0.4) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.79) USER MOD Single : A 57 CYS SG : rot 61:sc= 0.0474 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 8.867 -15.416 17.302 1.00 0.00 N ATOM 2 CA GLU A 1 7.792 -15.961 18.114 1.00 0.00 C ATOM 3 C GLU A 1 6.434 -15.589 17.516 1.00 0.00 C ATOM 4 O GLU A 1 5.578 -16.452 17.327 1.00 0.00 O ATOM 5 CB GLU A 1 7.903 -15.483 19.563 1.00 0.00 C ATOM 6 CG GLU A 1 7.132 -16.408 20.506 1.00 0.00 C ATOM 7 CD GLU A 1 7.986 -17.609 20.917 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.442 -18.321 19.997 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.162 -17.788 22.141 1.00 0.00 O ATOM 0 H1 GLU A 1 9.782 -15.746 17.670 1.00 0.00 H new ATOM 0 H2 GLU A 1 8.755 -15.734 16.318 1.00 0.00 H new ATOM 0 H3 GLU A 1 8.835 -14.377 17.336 1.00 0.00 H new ATOM 0 HA GLU A 1 7.880 -17.047 18.117 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.952 -15.448 19.859 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.515 -14.468 19.646 1.00 0.00 H new ATOM 0 HG2 GLU A 1 6.826 -15.855 21.394 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.222 -16.755 20.017 1.00 0.00 H new ATOM 16 N GLU A 2 6.279 -14.303 17.236 1.00 0.00 N ATOM 17 CA GLU A 2 5.039 -13.807 16.664 1.00 0.00 C ATOM 18 C GLU A 2 5.330 -12.954 15.427 1.00 0.00 C ATOM 19 O GLU A 2 6.489 -12.731 15.081 1.00 0.00 O ATOM 20 CB GLU A 2 4.236 -13.016 17.698 1.00 0.00 C ATOM 21 CG GLU A 2 4.966 -11.730 18.093 1.00 0.00 C ATOM 22 CD GLU A 2 5.912 -11.977 19.270 1.00 0.00 C ATOM 23 OE1 GLU A 2 7.081 -12.322 18.996 1.00 0.00 O ATOM 24 OE2 GLU A 2 5.444 -11.815 20.418 1.00 0.00 O ATOM 0 H GLU A 2 6.991 -13.590 17.395 1.00 0.00 H new ATOM 0 HA GLU A 2 4.435 -14.661 16.359 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.255 -12.771 17.292 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.070 -13.631 18.583 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.531 -11.352 17.241 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.240 -10.962 18.360 1.00 0.00 H new ATOM 31 N TYR A 3 4.257 -12.501 14.794 1.00 0.00 N ATOM 32 CA TYR A 3 4.383 -11.678 13.603 1.00 0.00 C ATOM 33 C TYR A 3 3.200 -10.716 13.475 1.00 0.00 C ATOM 34 O TYR A 3 2.085 -11.039 13.882 1.00 0.00 O ATOM 35 CB TYR A 3 4.369 -12.646 12.419 1.00 0.00 C ATOM 36 CG TYR A 3 5.203 -12.179 11.224 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.580 -12.162 11.307 1.00 0.00 C ATOM 38 CD2 TYR A 3 4.577 -11.774 10.062 1.00 0.00 C ATOM 39 CE1 TYR A 3 7.365 -11.722 10.183 1.00 0.00 C ATOM 40 CE2 TYR A 3 5.362 -11.334 8.938 1.00 0.00 C ATOM 41 CZ TYR A 3 6.717 -11.330 9.053 1.00 0.00 C ATOM 42 OH TYR A 3 7.458 -10.914 7.991 1.00 0.00 O ATOM 0 H TYR A 3 3.297 -12.688 15.084 1.00 0.00 H new ATOM 0 HA TYR A 3 5.294 -11.080 13.643 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.740 -13.616 12.751 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.339 -12.793 12.095 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.070 -12.479 12.216 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.499 -11.787 9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.444 -11.704 10.236 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.885 -11.014 8.023 1.00 0.00 H new ATOM 0 HH TYR A 3 6.875 -10.473 7.338 1.00 0.00 H new ATOM 52 N VAL A 4 3.483 -9.554 12.906 1.00 0.00 N ATOM 53 CA VAL A 4 2.456 -8.543 12.718 1.00 0.00 C ATOM 54 C VAL A 4 3.038 -7.373 11.921 1.00 0.00 C ATOM 55 O VAL A 4 4.227 -7.362 11.606 1.00 0.00 O ATOM 56 CB VAL A 4 1.886 -8.118 14.073 1.00 0.00 C ATOM 57 CG1 VAL A 4 2.847 -7.177 14.802 1.00 0.00 C ATOM 58 CG2 VAL A 4 0.507 -7.475 13.910 1.00 0.00 C ATOM 0 H VAL A 4 4.409 -9.290 12.569 1.00 0.00 H new ATOM 0 HA VAL A 4 1.623 -8.947 12.142 1.00 0.00 H new ATOM 0 HB VAL A 4 1.768 -9.014 14.683 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.417 -6.890 15.762 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.798 -7.684 14.967 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.012 -6.285 14.197 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.124 -7.182 14.888 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.589 -6.594 13.274 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.176 -8.190 13.452 1.00 0.00 H new ATOM 68 N GLY A 5 2.173 -6.417 11.618 1.00 0.00 N ATOM 69 CA GLY A 5 2.586 -5.245 10.864 1.00 0.00 C ATOM 70 C GLY A 5 1.380 -4.549 10.229 1.00 0.00 C ATOM 71 O GLY A 5 0.543 -3.985 10.931 1.00 0.00 O ATOM 0 H GLY A 5 1.188 -6.430 11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.107 -4.550 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.292 -5.538 10.087 1.00 0.00 H new ATOM 75 N LEU A 6 1.331 -4.613 8.906 1.00 0.00 N ATOM 76 CA LEU A 6 0.242 -3.996 8.168 1.00 0.00 C ATOM 77 C LEU A 6 -0.196 -2.718 8.886 1.00 0.00 C ATOM 78 O LEU A 6 -1.118 -2.744 9.700 1.00 0.00 O ATOM 79 CB LEU A 6 -0.893 -4.998 7.950 1.00 0.00 C ATOM 80 CG LEU A 6 -0.554 -6.465 8.222 1.00 0.00 C ATOM 81 CD1 LEU A 6 -0.708 -6.797 9.708 1.00 0.00 C ATOM 82 CD2 LEU A 6 -1.389 -7.394 7.339 1.00 0.00 C ATOM 0 H LEU A 6 2.027 -5.082 8.327 1.00 0.00 H new ATOM 0 HA LEU A 6 0.575 -3.704 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.729 -4.714 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.236 -4.910 6.919 1.00 0.00 H new ATOM 0 HG LEU A 6 0.492 -6.627 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.461 -7.846 9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.036 -6.169 10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.737 -6.613 10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.128 -8.431 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.448 -7.237 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.187 -7.178 6.290 1.00 0.00 H new ATOM 94 N SER A 7 0.486 -1.630 8.558 1.00 0.00 N ATOM 95 CA SER A 7 0.179 -0.344 9.161 1.00 0.00 C ATOM 96 C SER A 7 1.348 0.621 8.958 1.00 0.00 C ATOM 97 O SER A 7 1.154 1.835 8.911 1.00 0.00 O ATOM 98 CB SER A 7 -0.132 -0.496 10.652 1.00 0.00 C ATOM 99 OG SER A 7 0.712 -1.458 11.278 1.00 0.00 O ATOM 0 H SER A 7 1.250 -1.613 7.882 1.00 0.00 H new ATOM 0 HA SER A 7 -0.707 0.061 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.013 0.468 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.174 -0.792 10.777 1.00 0.00 H new ATOM 0 HG SER A 7 0.278 -2.336 11.258 1.00 0.00 H new ATOM 105 N ALA A 8 2.536 0.046 8.844 1.00 0.00 N ATOM 106 CA ALA A 8 3.737 0.841 8.647 1.00 0.00 C ATOM 107 C ALA A 8 4.874 -0.068 8.178 1.00 0.00 C ATOM 108 O ALA A 8 5.594 0.267 7.239 1.00 0.00 O ATOM 109 CB ALA A 8 4.078 1.580 9.943 1.00 0.00 C ATOM 0 H ALA A 8 2.693 -0.961 8.884 1.00 0.00 H new ATOM 0 HA ALA A 8 3.577 1.593 7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.979 2.176 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.250 2.234 10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.248 0.857 10.740 1.00 0.00 H new ATOM 115 N ASN A 9 4.999 -1.202 8.852 1.00 0.00 N ATOM 116 CA ASN A 9 6.037 -2.162 8.515 1.00 0.00 C ATOM 117 C ASN A 9 5.839 -2.635 7.074 1.00 0.00 C ATOM 118 O ASN A 9 6.779 -2.628 6.280 1.00 0.00 O ATOM 119 CB ASN A 9 5.970 -3.387 9.429 1.00 0.00 C ATOM 120 CG ASN A 9 7.319 -3.640 10.107 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.670 -3.021 11.098 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.052 -4.581 9.519 1.00 0.00 N ATOM 0 H ASN A 9 4.399 -1.478 9.629 1.00 0.00 H new ATOM 0 HA ASN A 9 7.003 -1.673 8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.200 -3.238 10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.681 -4.263 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.968 -4.823 9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.698 -5.061 8.691 1.00 0.00 H new ATOM 129 N GLN A 10 4.611 -3.036 6.780 1.00 0.00 N ATOM 130 CA GLN A 10 4.278 -3.512 5.448 1.00 0.00 C ATOM 131 C GLN A 10 4.382 -2.370 4.435 1.00 0.00 C ATOM 132 O GLN A 10 4.798 -2.581 3.296 1.00 0.00 O ATOM 133 CB GLN A 10 2.884 -4.141 5.423 1.00 0.00 C ATOM 134 CG GLN A 10 2.841 -5.341 4.475 1.00 0.00 C ATOM 135 CD GLN A 10 2.896 -6.657 5.253 1.00 0.00 C ATOM 136 OE1 GLN A 10 2.496 -6.746 6.403 1.00 0.00 O ATOM 137 NE2 GLN A 10 3.411 -7.672 4.565 1.00 0.00 N ATOM 0 H GLN A 10 3.834 -3.041 7.441 1.00 0.00 H new ATOM 0 HA GLN A 10 4.994 -4.285 5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.606 -4.457 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.151 -3.398 5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.929 -5.305 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.679 -5.290 3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.727 -7.530 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.490 -8.593 4.997 1.00 0.00 H new ATOM 146 N CYS A 11 3.997 -1.185 4.885 1.00 0.00 N ATOM 147 CA CYS A 11 4.042 -0.009 4.032 1.00 0.00 C ATOM 148 C CYS A 11 5.119 0.934 4.571 1.00 0.00 C ATOM 149 O CYS A 11 4.884 2.134 4.712 1.00 0.00 O ATOM 150 CB CYS A 11 2.677 0.676 3.941 1.00 0.00 C ATOM 151 SG CYS A 11 1.244 -0.426 4.227 1.00 0.00 S ATOM 0 H CYS A 11 3.652 -1.014 5.830 1.00 0.00 H new ATOM 0 HA CYS A 11 4.296 -0.304 3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.644 1.487 4.668 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.578 1.128 2.954 1.00 0.00 H new ATOM 156 N ALA A 12 6.277 0.357 4.856 1.00 0.00 N ATOM 157 CA ALA A 12 7.391 1.132 5.376 1.00 0.00 C ATOM 158 C ALA A 12 8.371 1.434 4.240 1.00 0.00 C ATOM 159 O ALA A 12 9.584 1.373 4.430 1.00 0.00 O ATOM 160 CB ALA A 12 8.050 0.370 6.527 1.00 0.00 C ATOM 0 H ALA A 12 6.468 -0.638 4.737 1.00 0.00 H new ATOM 0 HA ALA A 12 7.043 2.085 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.886 0.951 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.320 0.206 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.414 -0.591 6.165 1.00 0.00 H new ATOM 166 N VAL A 13 7.807 1.753 3.084 1.00 0.00 N ATOM 167 CA VAL A 13 8.615 2.065 1.918 1.00 0.00 C ATOM 168 C VAL A 13 8.864 3.574 1.864 1.00 0.00 C ATOM 169 O VAL A 13 8.063 4.357 2.372 1.00 0.00 O ATOM 170 CB VAL A 13 7.943 1.524 0.655 1.00 0.00 C ATOM 171 CG1 VAL A 13 8.960 0.833 -0.255 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.792 0.579 1.009 1.00 0.00 C ATOM 0 H VAL A 13 6.800 1.802 2.930 1.00 0.00 H new ATOM 0 HA VAL A 13 9.588 1.577 1.986 1.00 0.00 H new ATOM 0 HB VAL A 13 7.526 2.370 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.456 0.458 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.730 1.547 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.420 0.002 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.331 0.208 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.176 -0.261 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.048 1.116 1.598 1.00 0.00 H new ATOM 182 N PRO A 14 10.006 3.945 1.226 1.00 0.00 N ATOM 183 CA PRO A 14 10.370 5.346 1.098 1.00 0.00 C ATOM 184 C PRO A 14 9.512 6.041 0.039 1.00 0.00 C ATOM 185 O PRO A 14 8.807 7.004 0.340 1.00 0.00 O ATOM 186 CB PRO A 14 11.850 5.338 0.752 1.00 0.00 C ATOM 187 CG PRO A 14 12.151 3.938 0.243 1.00 0.00 C ATOM 188 CD PRO A 14 10.978 3.045 0.612 1.00 0.00 C ATOM 0 HA PRO A 14 10.191 5.912 2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.078 6.087 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.457 5.575 1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.298 3.948 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.072 3.561 0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.562 2.554 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.281 2.258 1.303 1.00 0.00 H new ATOM 196 N ALA A 15 9.599 5.526 -1.178 1.00 0.00 N ATOM 197 CA ALA A 15 8.839 6.086 -2.284 1.00 0.00 C ATOM 198 C ALA A 15 9.462 5.633 -3.606 1.00 0.00 C ATOM 199 O ALA A 15 8.788 5.600 -4.634 1.00 0.00 O ATOM 200 CB ALA A 15 8.793 7.609 -2.152 1.00 0.00 C ATOM 0 H ALA A 15 10.184 4.727 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 15 7.810 5.726 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.223 8.029 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.315 7.878 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.808 8.007 -2.171 1.00 0.00 H new ATOM 206 N LYS A 16 10.741 5.295 -3.535 1.00 0.00 N ATOM 207 CA LYS A 16 11.462 4.845 -4.714 1.00 0.00 C ATOM 208 C LYS A 16 11.398 3.319 -4.794 1.00 0.00 C ATOM 209 O LYS A 16 11.957 2.718 -5.710 1.00 0.00 O ATOM 210 CB LYS A 16 12.887 5.401 -4.715 1.00 0.00 C ATOM 211 CG LYS A 16 13.711 4.800 -3.575 1.00 0.00 C ATOM 212 CD LYS A 16 14.281 3.436 -3.971 1.00 0.00 C ATOM 213 CE LYS A 16 15.807 3.425 -3.859 1.00 0.00 C ATOM 214 NZ LYS A 16 16.273 2.160 -3.249 1.00 0.00 N ATOM 0 H LYS A 16 11.297 5.324 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 16 10.992 5.232 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.366 5.182 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.858 6.486 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.525 5.476 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.087 4.694 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.860 2.662 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.986 3.198 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.251 3.544 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.139 4.270 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.311 2.169 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.864 2.062 -2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.972 1.358 -3.839 1.00 0.00 H new ATOM 228 N ASP A 17 10.711 2.735 -3.824 1.00 0.00 N ATOM 229 CA ASP A 17 10.566 1.290 -3.773 1.00 0.00 C ATOM 230 C ASP A 17 9.084 0.926 -3.885 1.00 0.00 C ATOM 231 O ASP A 17 8.703 -0.219 -3.646 1.00 0.00 O ATOM 232 CB ASP A 17 11.092 0.730 -2.450 1.00 0.00 C ATOM 233 CG ASP A 17 12.382 -0.086 -2.560 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.583 -0.687 -3.637 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.137 -0.089 -1.564 1.00 0.00 O ATOM 0 H ASP A 17 10.248 3.237 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 17 11.138 0.864 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.262 1.560 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.320 0.102 -2.006 1.00 0.00 H new ATOM 240 N ARG A 18 8.289 1.921 -4.249 1.00 0.00 N ATOM 241 CA ARG A 18 6.857 1.720 -4.395 1.00 0.00 C ATOM 242 C ARG A 18 6.555 0.990 -5.706 1.00 0.00 C ATOM 243 O ARG A 18 6.642 1.579 -6.783 1.00 0.00 O ATOM 244 CB ARG A 18 6.109 3.054 -4.378 1.00 0.00 C ATOM 245 CG ARG A 18 6.661 3.979 -3.292 1.00 0.00 C ATOM 246 CD ARG A 18 6.478 3.364 -1.903 1.00 0.00 C ATOM 247 NE ARG A 18 6.728 4.384 -0.860 1.00 0.00 N ATOM 248 CZ ARG A 18 5.974 5.477 -0.684 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.918 5.699 -1.479 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.275 6.349 0.288 1.00 0.00 N ATOM 0 H ARG A 18 8.609 2.869 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 18 6.519 1.117 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.197 3.537 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.047 2.877 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.719 4.168 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.153 4.942 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.467 2.969 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.162 2.526 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 18 7.524 4.246 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.688 5.035 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.344 6.532 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.078 6.180 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.701 7.181 0.422 1.00 0.00 H new ATOM 264 N VAL A 19 6.207 -0.281 -5.572 1.00 0.00 N ATOM 265 CA VAL A 19 5.892 -1.097 -6.732 1.00 0.00 C ATOM 266 C VAL A 19 4.612 -0.573 -7.386 1.00 0.00 C ATOM 267 O VAL A 19 4.277 -0.964 -8.503 1.00 0.00 O ATOM 268 CB VAL A 19 5.796 -2.569 -6.326 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.876 -3.482 -7.551 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.877 -2.927 -5.304 1.00 0.00 C ATOM 0 H VAL A 19 6.136 -0.766 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 19 6.688 -1.029 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 19 4.825 -2.724 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.805 -4.523 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.055 -3.253 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.825 -3.322 -8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.787 -3.979 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.861 -2.747 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.754 -2.310 -4.414 1.00 0.00 H new ATOM 280 N ASP A 20 3.932 0.305 -6.663 1.00 0.00 N ATOM 281 CA ASP A 20 2.697 0.886 -7.159 1.00 0.00 C ATOM 282 C ASP A 20 1.681 -0.228 -7.417 1.00 0.00 C ATOM 283 O ASP A 20 1.904 -1.092 -8.264 1.00 0.00 O ATOM 284 CB ASP A 20 2.928 1.630 -8.476 1.00 0.00 C ATOM 285 CG ASP A 20 1.707 2.371 -9.023 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.755 2.556 -8.235 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.752 2.735 -10.218 1.00 0.00 O ATOM 0 H ASP A 20 4.214 0.628 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 20 2.329 1.586 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.736 2.348 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.266 0.914 -9.226 1.00 0.00 H new ATOM 292 N CYS A 21 0.588 -0.173 -6.671 1.00 0.00 N ATOM 293 CA CYS A 21 -0.463 -1.167 -6.809 1.00 0.00 C ATOM 294 C CYS A 21 -1.341 -0.777 -7.999 1.00 0.00 C ATOM 295 O CYS A 21 -2.129 -1.586 -8.486 1.00 0.00 O ATOM 296 CB CYS A 21 -1.278 -1.311 -5.522 1.00 0.00 C ATOM 297 SG CYS A 21 -1.572 -3.036 -4.988 1.00 0.00 S ATOM 0 H CYS A 21 0.407 0.544 -5.969 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.019 -2.145 -6.992 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.763 -0.781 -4.721 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.241 -0.820 -5.662 1.00 0.00 H new ATOM 302 N GLY A 22 -1.175 0.464 -8.434 1.00 0.00 N ATOM 303 CA GLY A 22 -1.943 0.971 -9.559 1.00 0.00 C ATOM 304 C GLY A 22 -3.445 0.897 -9.276 1.00 0.00 C ATOM 305 O GLY A 22 -4.154 0.092 -9.877 1.00 0.00 O ATOM 0 H GLY A 22 -0.520 1.133 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.658 2.003 -9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.709 0.394 -10.453 1.00 0.00 H new ATOM 309 N TYR A 23 -3.884 1.748 -8.360 1.00 0.00 N ATOM 310 CA TYR A 23 -5.289 1.789 -7.990 1.00 0.00 C ATOM 311 C TYR A 23 -5.776 3.232 -7.848 1.00 0.00 C ATOM 312 O TYR A 23 -5.036 4.099 -7.384 1.00 0.00 O ATOM 313 CB TYR A 23 -5.387 1.094 -6.631 1.00 0.00 C ATOM 314 CG TYR A 23 -6.662 0.269 -6.445 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.030 -0.657 -7.400 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.445 0.451 -5.323 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.230 -1.434 -7.225 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.645 -0.326 -5.148 1.00 0.00 C ATOM 319 CZ TYR A 23 -8.978 -1.230 -6.107 1.00 0.00 C ATOM 320 OH TYR A 23 -10.112 -1.963 -5.942 1.00 0.00 O ATOM 0 H TYR A 23 -3.292 2.414 -7.863 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.901 1.306 -8.752 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.523 0.442 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.336 1.847 -5.845 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.418 -0.799 -8.279 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.158 1.176 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.529 -2.162 -7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.266 -0.193 -4.275 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.225 -2.566 -6.706 1.00 0.00 H new ATOM 330 N PRO A 24 -7.051 3.452 -8.266 1.00 0.00 N ATOM 331 CA PRO A 24 -7.646 4.776 -8.190 1.00 0.00 C ATOM 332 C PRO A 24 -8.022 5.126 -6.749 1.00 0.00 C ATOM 333 O PRO A 24 -7.283 5.832 -6.064 1.00 0.00 O ATOM 334 CB PRO A 24 -8.847 4.722 -9.120 1.00 0.00 C ATOM 335 CG PRO A 24 -9.152 3.246 -9.323 1.00 0.00 C ATOM 336 CD PRO A 24 -7.957 2.451 -8.821 1.00 0.00 C ATOM 0 HA PRO A 24 -6.958 5.564 -8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.701 5.241 -8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.628 5.210 -10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.054 2.964 -8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.336 3.035 -10.377 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.255 1.724 -8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.484 1.894 -9.630 1.00 0.00 H new ATOM 344 N HIS A 25 -9.171 4.616 -6.330 1.00 0.00 N ATOM 345 CA HIS A 25 -9.654 4.865 -4.983 1.00 0.00 C ATOM 346 C HIS A 25 -8.692 4.244 -3.969 1.00 0.00 C ATOM 347 O HIS A 25 -8.772 3.051 -3.682 1.00 0.00 O ATOM 348 CB HIS A 25 -11.091 4.365 -4.819 1.00 0.00 C ATOM 349 CG HIS A 25 -11.208 3.073 -4.047 1.00 0.00 C ATOM 350 ND1 HIS A 25 -11.871 2.980 -2.836 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.740 1.822 -4.327 1.00 0.00 C ATOM 352 CE1 HIS A 25 -11.798 1.726 -2.414 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.097 1.010 -3.340 1.00 0.00 N ATOM 0 H HIS A 25 -9.782 4.031 -6.900 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.681 5.939 -4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.676 5.133 -4.313 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.532 4.227 -5.806 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.337 3.747 -2.351 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.175 1.541 -5.203 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.219 1.339 -1.498 1.00 0.00 H new ATOM 362 N VAL A 26 -7.803 5.081 -3.455 1.00 0.00 N ATOM 363 CA VAL A 26 -6.826 4.629 -2.479 1.00 0.00 C ATOM 364 C VAL A 26 -6.904 5.517 -1.236 1.00 0.00 C ATOM 365 O VAL A 26 -6.998 6.739 -1.346 1.00 0.00 O ATOM 366 CB VAL A 26 -5.431 4.604 -3.108 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.333 3.516 -4.180 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.063 5.974 -3.682 1.00 0.00 C ATOM 0 H VAL A 26 -7.739 6.070 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.045 3.609 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.714 4.367 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.332 3.519 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.531 2.543 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.066 3.710 -4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.067 5.928 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.786 6.254 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.073 6.717 -2.885 1.00 0.00 H new ATOM 378 N THR A 27 -6.863 4.869 -0.081 1.00 0.00 N ATOM 379 CA THR A 27 -6.928 5.585 1.182 1.00 0.00 C ATOM 380 C THR A 27 -6.026 4.916 2.221 1.00 0.00 C ATOM 381 O THR A 27 -5.508 3.825 1.988 1.00 0.00 O ATOM 382 CB THR A 27 -8.396 5.659 1.608 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.672 4.361 2.128 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.345 5.793 0.416 1.00 0.00 C ATOM 0 H THR A 27 -6.786 3.856 0.007 1.00 0.00 H new ATOM 0 HA THR A 27 -6.553 6.603 1.080 1.00 0.00 H new ATOM 0 HB THR A 27 -8.537 6.505 2.281 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.260 4.439 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.374 5.841 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.110 6.703 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.229 4.930 -0.240 1.00 0.00 H new ATOM 392 N PRO A 28 -5.864 5.615 3.376 1.00 0.00 N ATOM 393 CA PRO A 28 -5.034 5.101 4.452 1.00 0.00 C ATOM 394 C PRO A 28 -5.743 3.968 5.198 1.00 0.00 C ATOM 395 O PRO A 28 -5.607 3.840 6.413 1.00 0.00 O ATOM 396 CB PRO A 28 -4.744 6.303 5.336 1.00 0.00 C ATOM 397 CG PRO A 28 -5.797 7.342 4.983 1.00 0.00 C ATOM 398 CD PRO A 28 -6.463 6.910 3.687 1.00 0.00 C ATOM 0 HA PRO A 28 -4.107 4.656 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.798 6.034 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.740 6.687 5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.534 7.425 5.782 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.340 8.325 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.543 6.828 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.283 7.631 2.890 1.00 0.00 H new ATOM 406 N LYS A 29 -6.484 3.175 4.437 1.00 0.00 N ATOM 407 CA LYS A 29 -7.215 2.058 5.011 1.00 0.00 C ATOM 408 C LYS A 29 -7.934 1.298 3.894 1.00 0.00 C ATOM 409 O LYS A 29 -7.853 0.073 3.821 1.00 0.00 O ATOM 410 CB LYS A 29 -8.146 2.541 6.124 1.00 0.00 C ATOM 411 CG LYS A 29 -8.408 1.429 7.141 1.00 0.00 C ATOM 412 CD LYS A 29 -9.499 0.478 6.645 1.00 0.00 C ATOM 413 CE LYS A 29 -10.452 0.096 7.780 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.408 1.194 8.045 1.00 0.00 N ATOM 0 H LYS A 29 -6.594 3.284 3.429 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.528 1.357 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.703 3.401 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.090 2.875 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.489 0.871 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.707 1.866 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.059 0.951 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.042 -0.421 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.995 -0.812 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.882 -0.124 8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.047 0.919 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.886 2.051 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.964 1.385 7.187 1.00 0.00 H new ATOM 428 N GLU A 30 -8.620 2.056 3.053 1.00 0.00 N ATOM 429 CA GLU A 30 -9.353 1.470 1.944 1.00 0.00 C ATOM 430 C GLU A 30 -8.382 0.878 0.920 1.00 0.00 C ATOM 431 O GLU A 30 -8.710 -0.091 0.236 1.00 0.00 O ATOM 432 CB GLU A 30 -10.277 2.500 1.291 1.00 0.00 C ATOM 433 CG GLU A 30 -11.562 1.840 0.784 1.00 0.00 C ATOM 434 CD GLU A 30 -12.494 1.489 1.946 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.171 2.421 2.430 1.00 0.00 O ATOM 436 OE2 GLU A 30 -12.507 0.298 2.322 1.00 0.00 O ATOM 0 H GLU A 30 -8.684 3.072 3.117 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.977 0.665 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.524 3.280 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.760 2.983 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.072 2.512 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.315 0.937 0.226 1.00 0.00 H new ATOM 443 N CYS A 31 -7.207 1.485 0.847 1.00 0.00 N ATOM 444 CA CYS A 31 -6.186 1.030 -0.082 1.00 0.00 C ATOM 445 C CYS A 31 -5.461 -0.162 0.547 1.00 0.00 C ATOM 446 O CYS A 31 -4.960 -1.032 -0.163 1.00 0.00 O ATOM 447 CB CYS A 31 -5.219 2.155 -0.455 1.00 0.00 C ATOM 448 SG CYS A 31 -3.551 1.597 -0.962 1.00 0.00 S ATOM 0 H CYS A 31 -6.939 2.288 1.416 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.653 0.718 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.655 2.735 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.119 2.826 0.398 1.00 0.00 H new ATOM 453 N ASN A 32 -5.429 -0.162 1.871 1.00 0.00 N ATOM 454 CA ASN A 32 -4.773 -1.232 2.603 1.00 0.00 C ATOM 455 C ASN A 32 -5.796 -2.324 2.925 1.00 0.00 C ATOM 456 O ASN A 32 -5.471 -3.306 3.591 1.00 0.00 O ATOM 457 CB ASN A 32 -4.195 -0.722 3.925 1.00 0.00 C ATOM 458 CG ASN A 32 -3.604 0.680 3.759 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.241 1.596 3.266 1.00 0.00 O ATOM 460 ND2 ASN A 32 -2.354 0.795 4.199 1.00 0.00 N ATOM 0 H ASN A 32 -5.847 0.562 2.456 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.965 -1.620 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.976 -0.704 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.423 -1.407 4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.871 1.691 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.879 -0.013 4.601 1.00 0.00 H new ATOM 467 N ASN A 33 -7.010 -2.116 2.437 1.00 0.00 N ATOM 468 CA ASN A 33 -8.081 -3.071 2.665 1.00 0.00 C ATOM 469 C ASN A 33 -8.318 -3.879 1.387 1.00 0.00 C ATOM 470 O ASN A 33 -8.618 -5.070 1.449 1.00 0.00 O ATOM 471 CB ASN A 33 -9.387 -2.358 3.022 1.00 0.00 C ATOM 472 CG ASN A 33 -10.460 -3.361 3.450 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.208 -4.305 4.181 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.668 -3.106 2.956 1.00 0.00 N ATOM 0 H ASN A 33 -7.276 -1.301 1.885 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.786 -3.719 3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.208 -1.646 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.740 -1.787 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.452 -3.718 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.811 -2.298 2.350 1.00 0.00 H new ATOM 481 N ARG A 34 -8.175 -3.198 0.260 1.00 0.00 N ATOM 482 CA ARG A 34 -8.370 -3.838 -1.030 1.00 0.00 C ATOM 483 C ARG A 34 -7.359 -4.971 -1.219 1.00 0.00 C ATOM 484 O ARG A 34 -7.626 -5.932 -1.939 1.00 0.00 O ATOM 485 CB ARG A 34 -8.216 -2.832 -2.173 1.00 0.00 C ATOM 486 CG ARG A 34 -8.906 -3.335 -3.443 1.00 0.00 C ATOM 487 CD ARG A 34 -8.112 -4.474 -4.084 1.00 0.00 C ATOM 488 NE ARG A 34 -7.913 -4.204 -5.525 1.00 0.00 N ATOM 489 CZ ARG A 34 -6.987 -4.809 -6.282 1.00 0.00 C ATOM 490 NH1 ARG A 34 -6.169 -5.721 -5.739 1.00 0.00 N ATOM 491 NH2 ARG A 34 -6.879 -4.501 -7.582 1.00 0.00 N ATOM 0 H ARG A 34 -7.927 -2.210 0.213 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.382 -4.242 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.643 -1.873 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.158 -2.662 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.912 -3.679 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.010 -2.515 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.147 -4.579 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.642 -5.417 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.518 -3.514 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.251 -5.955 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.464 -6.181 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.501 -3.806 -7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.174 -4.961 -8.158 1.00 0.00 H new ATOM 505 N GLY A 35 -6.220 -4.821 -0.559 1.00 0.00 N ATOM 506 CA GLY A 35 -5.169 -5.821 -0.644 1.00 0.00 C ATOM 507 C GLY A 35 -3.869 -5.205 -1.168 1.00 0.00 C ATOM 508 O GLY A 35 -3.459 -5.478 -2.295 1.00 0.00 O ATOM 0 H GLY A 35 -6.002 -4.022 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.998 -6.259 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.484 -6.630 -1.303 1.00 0.00 H new ATOM 512 N CYS A 36 -3.258 -4.387 -0.324 1.00 0.00 N ATOM 513 CA CYS A 36 -2.013 -3.730 -0.688 1.00 0.00 C ATOM 514 C CYS A 36 -1.633 -2.765 0.437 1.00 0.00 C ATOM 515 O CYS A 36 -2.035 -2.954 1.584 1.00 0.00 O ATOM 516 CB CYS A 36 -2.122 -3.019 -2.038 1.00 0.00 C ATOM 517 SG CYS A 36 -0.783 -3.410 -3.222 1.00 0.00 S ATOM 0 H CYS A 36 -3.601 -4.164 0.610 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.227 -4.475 -0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.078 -3.279 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.133 -1.943 -1.866 1.00 0.00 H new ATOM 522 N CYS A 37 -0.862 -1.752 0.069 1.00 0.00 N ATOM 523 CA CYS A 37 -0.423 -0.757 1.032 1.00 0.00 C ATOM 524 C CYS A 37 -0.800 0.626 0.499 1.00 0.00 C ATOM 525 O CYS A 37 -0.934 0.815 -0.709 1.00 0.00 O ATOM 526 CB CYS A 37 1.076 -0.870 1.319 1.00 0.00 C ATOM 527 SG CYS A 37 1.507 -1.938 2.740 1.00 0.00 S ATOM 0 H CYS A 37 -0.530 -1.599 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.922 -0.926 1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.574 -1.255 0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.473 0.129 1.500 1.00 0.00 H new ATOM 532 N PHE A 38 -0.960 1.559 1.427 1.00 0.00 N ATOM 533 CA PHE A 38 -1.318 2.920 1.066 1.00 0.00 C ATOM 534 C PHE A 38 -0.258 3.912 1.547 1.00 0.00 C ATOM 535 O PHE A 38 0.691 3.530 2.230 1.00 0.00 O ATOM 536 CB PHE A 38 -2.645 3.233 1.761 1.00 0.00 C ATOM 537 CG PHE A 38 -3.089 4.691 1.628 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.837 5.079 0.560 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.735 5.599 2.576 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.249 6.432 0.436 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.147 6.952 2.452 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.895 7.340 1.385 1.00 0.00 C ATOM 0 H PHE A 38 -0.848 1.399 2.428 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.395 3.009 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.421 2.589 1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.556 2.986 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.117 4.358 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.140 5.291 3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.843 6.740 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.866 7.673 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.208 8.369 1.291 1.00 0.00 H new ATOM 552 N ASP A 39 -0.454 5.168 1.171 1.00 0.00 N ATOM 553 CA ASP A 39 0.474 6.218 1.555 1.00 0.00 C ATOM 554 C ASP A 39 0.003 7.549 0.967 1.00 0.00 C ATOM 555 O ASP A 39 -0.516 7.590 -0.148 1.00 0.00 O ATOM 556 CB ASP A 39 1.879 5.935 1.020 1.00 0.00 C ATOM 557 CG ASP A 39 2.875 7.086 1.177 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.533 7.126 2.239 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.955 7.900 0.231 1.00 0.00 O ATOM 0 H ASP A 39 -1.242 5.482 0.604 1.00 0.00 H new ATOM 0 HA ASP A 39 0.505 6.259 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.276 5.058 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.804 5.681 -0.037 1.00 0.00 H new ATOM 564 N SER A 40 0.200 8.605 1.742 1.00 0.00 N ATOM 565 CA SER A 40 -0.198 9.935 1.311 1.00 0.00 C ATOM 566 C SER A 40 0.908 10.942 1.632 1.00 0.00 C ATOM 567 O SER A 40 0.677 12.150 1.613 1.00 0.00 O ATOM 568 CB SER A 40 -1.510 10.359 1.975 1.00 0.00 C ATOM 569 OG SER A 40 -1.370 10.514 3.384 1.00 0.00 O ATOM 0 H SER A 40 0.630 8.567 2.666 1.00 0.00 H new ATOM 0 HA SER A 40 -0.358 9.912 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.850 11.298 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.279 9.615 1.767 1.00 0.00 H new ATOM 0 HG SER A 40 -2.229 10.787 3.770 1.00 0.00 H new ATOM 575 N ARG A 41 2.086 10.407 1.917 1.00 0.00 N ATOM 576 CA ARG A 41 3.229 11.244 2.241 1.00 0.00 C ATOM 577 C ARG A 41 3.600 12.123 1.044 1.00 0.00 C ATOM 578 O ARG A 41 3.933 13.295 1.210 1.00 0.00 O ATOM 579 CB ARG A 41 4.439 10.395 2.636 1.00 0.00 C ATOM 580 CG ARG A 41 5.261 11.086 3.726 1.00 0.00 C ATOM 581 CD ARG A 41 6.465 11.815 3.127 1.00 0.00 C ATOM 582 NE ARG A 41 7.566 10.857 2.882 1.00 0.00 N ATOM 583 CZ ARG A 41 8.842 11.215 2.680 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.185 12.510 2.694 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.775 10.277 2.466 1.00 0.00 N ATOM 0 H ARG A 41 2.274 9.405 1.930 1.00 0.00 H new ATOM 0 HA ARG A 41 2.950 11.874 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.104 9.421 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.065 10.218 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.633 11.796 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.603 10.348 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.179 12.300 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.799 12.600 3.805 1.00 0.00 H new ATOM 0 HE ARG A 41 7.340 9.862 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.475 13.224 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.156 12.782 2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.514 9.291 2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.746 10.549 2.312 1.00 0.00 H new ATOM 599 N ILE A 42 3.528 11.522 -0.135 1.00 0.00 N ATOM 600 CA ILE A 42 3.852 12.235 -1.359 1.00 0.00 C ATOM 601 C ILE A 42 3.051 11.639 -2.518 1.00 0.00 C ATOM 602 O ILE A 42 3.033 10.424 -2.705 1.00 0.00 O ATOM 603 CB ILE A 42 5.364 12.238 -1.593 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.031 11.059 -0.883 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.980 13.577 -1.183 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.492 9.726 -1.407 1.00 0.00 C ATOM 0 H ILE A 42 3.250 10.550 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 42 3.564 13.283 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 42 5.544 12.114 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.110 11.103 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.855 11.130 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.055 13.552 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.534 14.378 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.790 13.756 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.983 8.905 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.417 9.675 -1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.691 9.648 -2.476 1.00 0.00 H new ATOM 618 N PRO A 43 2.390 12.547 -3.286 1.00 0.00 N ATOM 619 CA PRO A 43 1.590 12.123 -4.422 1.00 0.00 C ATOM 620 C PRO A 43 2.479 11.721 -5.601 1.00 0.00 C ATOM 621 O PRO A 43 2.104 10.867 -6.403 1.00 0.00 O ATOM 622 CB PRO A 43 0.691 13.309 -4.734 1.00 0.00 C ATOM 623 CG PRO A 43 1.340 14.511 -4.066 1.00 0.00 C ATOM 624 CD PRO A 43 2.389 13.994 -3.095 1.00 0.00 C ATOM 0 HA PRO A 43 0.996 11.234 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.603 13.460 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.317 13.147 -4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.797 15.161 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.593 15.105 -3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.369 14.422 -3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.141 14.257 -2.067 1.00 0.00 H new ATOM 632 N GLY A 44 3.640 12.355 -5.668 1.00 0.00 N ATOM 633 CA GLY A 44 4.586 12.074 -6.734 1.00 0.00 C ATOM 634 C GLY A 44 4.778 10.566 -6.914 1.00 0.00 C ATOM 635 O GLY A 44 5.087 10.102 -8.010 1.00 0.00 O ATOM 0 H GLY A 44 3.947 13.063 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.230 12.513 -7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.544 12.542 -6.507 1.00 0.00 H new ATOM 639 N VAL A 45 4.587 9.844 -5.820 1.00 0.00 N ATOM 640 CA VAL A 45 4.735 8.398 -5.842 1.00 0.00 C ATOM 641 C VAL A 45 3.351 7.747 -5.816 1.00 0.00 C ATOM 642 O VAL A 45 2.343 8.430 -5.635 1.00 0.00 O ATOM 643 CB VAL A 45 5.631 7.946 -4.687 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.626 9.043 -4.303 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.794 7.518 -3.480 1.00 0.00 C ATOM 0 H VAL A 45 4.331 10.233 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 45 5.227 8.078 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 45 6.201 7.080 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.251 8.696 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.255 9.280 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.082 9.936 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.455 7.201 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.186 8.357 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.144 6.690 -3.763 1.00 0.00 H new ATOM 655 N PRO A 46 3.345 6.400 -6.003 1.00 0.00 N ATOM 656 CA PRO A 46 2.101 5.650 -6.002 1.00 0.00 C ATOM 657 C PRO A 46 1.559 5.489 -4.581 1.00 0.00 C ATOM 658 O PRO A 46 1.864 4.509 -3.903 1.00 0.00 O ATOM 659 CB PRO A 46 2.442 4.323 -6.662 1.00 0.00 C ATOM 660 CG PRO A 46 3.955 4.196 -6.586 1.00 0.00 C ATOM 661 CD PRO A 46 4.519 5.559 -6.220 1.00 0.00 C ATOM 0 HA PRO A 46 1.303 6.157 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.954 3.495 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.100 4.302 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.239 3.453 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.358 3.860 -7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.138 5.504 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.148 5.955 -7.018 1.00 0.00 H new ATOM 669 N TRP A 47 0.764 6.466 -4.171 1.00 0.00 N ATOM 670 CA TRP A 47 0.176 6.446 -2.842 1.00 0.00 C ATOM 671 C TRP A 47 -0.050 4.985 -2.448 1.00 0.00 C ATOM 672 O TRP A 47 0.427 4.538 -1.406 1.00 0.00 O ATOM 673 CB TRP A 47 -1.104 7.282 -2.796 1.00 0.00 C ATOM 674 CG TRP A 47 -0.875 8.751 -2.435 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.218 9.495 -2.657 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.810 9.631 -1.776 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.057 10.783 -2.191 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.216 10.869 -1.638 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.115 9.389 -1.311 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.851 11.961 -1.036 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.736 10.491 -0.712 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.152 11.743 -0.565 1.00 0.00 C ATOM 0 H TRP A 47 0.513 7.277 -4.736 1.00 0.00 H new ATOM 0 HA TRP A 47 0.848 6.903 -2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.595 7.230 -3.768 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.787 6.842 -2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.113 9.131 -3.140 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.745 11.534 -2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.600 8.429 -1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.364 12.920 -0.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.740 10.359 -0.338 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.698 12.544 -0.090 1.00 0.00 H new ATOM 693 N CYS A 48 -0.779 4.281 -3.302 1.00 0.00 N ATOM 694 CA CYS A 48 -1.074 2.879 -3.056 1.00 0.00 C ATOM 695 C CYS A 48 -0.015 2.033 -3.764 1.00 0.00 C ATOM 696 O CYS A 48 0.015 1.971 -4.992 1.00 0.00 O ATOM 697 CB CYS A 48 -2.491 2.513 -3.504 1.00 0.00 C ATOM 698 SG CYS A 48 -3.193 1.031 -2.691 1.00 0.00 S ATOM 0 H CYS A 48 -1.174 4.655 -4.165 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.039 2.680 -1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.148 3.361 -3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.486 2.351 -4.582 1.00 0.00 H new ATOM 703 N PHE A 49 0.829 1.404 -2.960 1.00 0.00 N ATOM 704 CA PHE A 49 1.888 0.565 -3.495 1.00 0.00 C ATOM 705 C PHE A 49 1.917 -0.795 -2.793 1.00 0.00 C ATOM 706 O PHE A 49 1.299 -0.969 -1.744 1.00 0.00 O ATOM 707 CB PHE A 49 3.210 1.289 -3.232 1.00 0.00 C ATOM 708 CG PHE A 49 3.346 1.839 -1.810 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.478 0.984 -0.761 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.335 3.182 -1.596 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.604 1.494 0.559 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.461 3.692 -0.277 1.00 0.00 C ATOM 713 CZ PHE A 49 3.593 2.837 0.773 1.00 0.00 C ATOM 0 H PHE A 49 0.801 1.458 -1.942 1.00 0.00 H new ATOM 0 HA PHE A 49 1.724 0.392 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.034 0.602 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.309 2.112 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.487 -0.082 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.230 3.861 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.709 0.815 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.452 4.759 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.689 3.225 1.776 1.00 0.00 H new ATOM 723 N LYS A 50 2.641 -1.723 -3.401 1.00 0.00 N ATOM 724 CA LYS A 50 2.759 -3.061 -2.848 1.00 0.00 C ATOM 725 C LYS A 50 3.463 -2.988 -1.491 1.00 0.00 C ATOM 726 O LYS A 50 4.118 -1.994 -1.181 1.00 0.00 O ATOM 727 CB LYS A 50 3.444 -3.996 -3.847 1.00 0.00 C ATOM 728 CG LYS A 50 2.584 -4.188 -5.097 1.00 0.00 C ATOM 729 CD LYS A 50 2.802 -5.575 -5.705 1.00 0.00 C ATOM 730 CE LYS A 50 2.986 -5.486 -7.222 1.00 0.00 C ATOM 731 NZ LYS A 50 2.079 -6.431 -7.910 1.00 0.00 N ATOM 0 H LYS A 50 3.152 -1.575 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 50 1.772 -3.488 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.414 -3.586 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.630 -4.962 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.532 -4.060 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.829 -3.422 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.680 -6.039 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.950 -6.215 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.786 -4.469 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.020 -5.710 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.217 -6.358 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.289 -7.401 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.093 -6.199 -7.675 1.00 0.00 H new ATOM 745 N PRO A 51 3.300 -4.081 -0.699 1.00 0.00 N ATOM 746 CA PRO A 51 3.913 -4.150 0.617 1.00 0.00 C ATOM 747 C PRO A 51 5.417 -4.409 0.508 1.00 0.00 C ATOM 748 O PRO A 51 5.840 -5.376 -0.125 1.00 0.00 O ATOM 749 CB PRO A 51 3.169 -5.261 1.339 1.00 0.00 C ATOM 750 CG PRO A 51 2.489 -6.081 0.255 1.00 0.00 C ATOM 751 CD PRO A 51 2.532 -5.277 -1.034 1.00 0.00 C ATOM 0 HA PRO A 51 3.834 -3.213 1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.855 -5.876 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.438 -4.852 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.996 -7.037 0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.458 -6.301 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.007 -5.841 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.529 -5.021 -1.375 1.00 0.00 H new ATOM 759 N LEU A 52 6.184 -3.530 1.136 1.00 0.00 N ATOM 760 CA LEU A 52 7.631 -3.651 1.118 1.00 0.00 C ATOM 761 C LEU A 52 8.015 -5.131 1.194 1.00 0.00 C ATOM 762 O LEU A 52 7.524 -5.860 2.054 1.00 0.00 O ATOM 763 CB LEU A 52 8.255 -2.797 2.224 1.00 0.00 C ATOM 764 CG LEU A 52 9.651 -3.216 2.689 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.318 -2.099 3.494 1.00 0.00 C ATOM 766 CD2 LEU A 52 9.597 -4.531 3.468 1.00 0.00 C ATOM 0 H LEU A 52 5.830 -2.730 1.661 1.00 0.00 H new ATOM 0 HA LEU A 52 8.034 -3.263 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.305 -1.766 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.588 -2.810 3.086 1.00 0.00 H new ATOM 0 HG LEU A 52 10.268 -3.390 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.309 -2.422 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.409 -1.208 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.712 -1.870 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.602 -4.806 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.959 -4.409 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.191 -5.316 2.830 1.00 0.00 H new ATOM 778 N GLN A 53 8.890 -5.529 0.282 1.00 0.00 N ATOM 779 CA GLN A 53 9.346 -6.908 0.235 1.00 0.00 C ATOM 780 C GLN A 53 10.117 -7.256 1.510 1.00 0.00 C ATOM 781 O GLN A 53 11.347 -7.296 1.504 1.00 0.00 O ATOM 782 CB GLN A 53 10.200 -7.161 -1.009 1.00 0.00 C ATOM 783 CG GLN A 53 11.243 -6.056 -1.192 1.00 0.00 C ATOM 784 CD GLN A 53 10.778 -5.030 -2.227 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.588 -5.329 -3.395 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.605 -3.806 -1.736 1.00 0.00 N ATOM 0 H GLN A 53 9.295 -4.921 -0.430 1.00 0.00 H new ATOM 0 HA GLN A 53 8.473 -7.557 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.699 -8.126 -0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.560 -7.211 -1.890 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.424 -5.560 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.190 -6.493 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.782 -3.623 -0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.296 -3.050 -2.347 1.00 0.00 H new ATOM 795 N GLU A 54 9.363 -7.500 2.571 1.00 0.00 N ATOM 796 CA GLU A 54 9.960 -7.843 3.851 1.00 0.00 C ATOM 797 C GLU A 54 10.908 -9.034 3.691 1.00 0.00 C ATOM 798 O GLU A 54 10.463 -10.168 3.519 1.00 0.00 O ATOM 799 CB GLU A 54 8.884 -8.136 4.897 1.00 0.00 C ATOM 800 CG GLU A 54 8.233 -9.499 4.649 1.00 0.00 C ATOM 801 CD GLU A 54 6.781 -9.510 5.132 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.061 -8.548 4.787 1.00 0.00 O ATOM 803 OE2 GLU A 54 6.425 -10.479 5.837 1.00 0.00 O ATOM 0 H GLU A 54 8.344 -7.467 2.571 1.00 0.00 H new ATOM 0 HA GLU A 54 10.537 -6.988 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.326 -8.116 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.123 -7.356 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.268 -9.734 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.798 -10.275 5.166 1.00 0.00 H new ATOM 810 N ALA A 55 12.198 -8.735 3.754 1.00 0.00 N ATOM 811 CA ALA A 55 13.212 -9.767 3.619 1.00 0.00 C ATOM 812 C ALA A 55 14.384 -9.448 4.549 1.00 0.00 C ATOM 813 O ALA A 55 15.543 -9.631 4.179 1.00 0.00 O ATOM 814 CB ALA A 55 13.642 -9.871 2.154 1.00 0.00 C ATOM 0 H ALA A 55 12.564 -7.793 3.897 1.00 0.00 H new ATOM 0 HA ALA A 55 12.813 -10.738 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.403 -10.645 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.779 -10.127 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.051 -8.915 1.826 1.00 0.00 H new ATOM 820 N GLU A 56 14.042 -8.977 5.740 1.00 0.00 N ATOM 821 CA GLU A 56 15.052 -8.632 6.726 1.00 0.00 C ATOM 822 C GLU A 56 16.135 -7.756 6.092 1.00 0.00 C ATOM 823 O GLU A 56 17.062 -8.266 5.465 1.00 0.00 O ATOM 824 CB GLU A 56 15.659 -9.888 7.352 1.00 0.00 C ATOM 825 CG GLU A 56 14.982 -10.220 8.684 1.00 0.00 C ATOM 826 CD GLU A 56 16.014 -10.350 9.806 1.00 0.00 C ATOM 827 OE1 GLU A 56 16.979 -9.556 9.785 1.00 0.00 O ATOM 828 OE2 GLU A 56 15.814 -11.240 10.660 1.00 0.00 O ATOM 0 H GLU A 56 13.080 -8.826 6.044 1.00 0.00 H new ATOM 0 HA GLU A 56 14.574 -8.064 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.552 -10.728 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.727 -9.740 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.263 -9.440 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.423 -11.151 8.590 1.00 0.00 H new ATOM 835 N CYS A 57 15.982 -6.454 6.278 1.00 0.00 N ATOM 836 CA CYS A 57 16.935 -5.503 5.732 1.00 0.00 C ATOM 837 C CYS A 57 18.201 -5.545 6.591 1.00 0.00 C ATOM 838 O CYS A 57 19.248 -6.005 6.137 1.00 0.00 O ATOM 839 CB CYS A 57 16.346 -4.093 5.654 1.00 0.00 C ATOM 840 SG CYS A 57 14.545 -4.030 5.337 1.00 0.00 S ATOM 0 H CYS A 57 15.212 -6.035 6.799 1.00 0.00 H new ATOM 0 HA CYS A 57 17.182 -5.780 4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.554 -3.575 6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 57 16.859 -3.543 4.865 1.00 0.00 H new ATOM 0 HG CYS A 57 13.913 -4.630 6.302 1.00 0.00 H new ATOM 845 N THR A 58 18.064 -5.060 7.816 1.00 0.00 N ATOM 846 CA THR A 58 19.183 -5.037 8.742 1.00 0.00 C ATOM 847 C THR A 58 20.373 -4.302 8.122 1.00 0.00 C ATOM 848 O THR A 58 20.429 -4.118 6.907 1.00 0.00 O ATOM 849 CB THR A 58 19.500 -6.481 9.137 1.00 0.00 C ATOM 850 OG1 THR A 58 20.371 -6.351 10.257 1.00 0.00 O ATOM 851 CG2 THR A 58 20.346 -7.203 8.087 1.00 0.00 C ATOM 0 H THR A 58 17.194 -4.680 8.189 1.00 0.00 H new ATOM 0 HA THR A 58 18.935 -4.484 9.648 1.00 0.00 H new ATOM 0 HB THR A 58 18.570 -7.028 9.291 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.625 -7.241 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.542 -8.223 8.417 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.809 -7.225 7.139 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.291 -6.676 7.956 1.00 0.00 H new ATOM 859 N PHE A 59 21.295 -3.902 8.985 1.00 0.00 N ATOM 860 CA PHE A 59 22.481 -3.191 8.537 1.00 0.00 C ATOM 861 C PHE A 59 22.152 -2.255 7.372 1.00 0.00 C ATOM 862 O PHE A 59 21.128 -1.573 7.390 1.00 0.00 O ATOM 863 CB PHE A 59 23.482 -4.246 8.061 1.00 0.00 C ATOM 864 CG PHE A 59 24.520 -4.638 9.113 1.00 0.00 C ATOM 865 CD1 PHE A 59 24.153 -5.395 10.182 1.00 0.00 C ATOM 866 CD2 PHE A 59 25.811 -4.230 8.981 1.00 0.00 C ATOM 867 CE1 PHE A 59 25.117 -5.760 11.159 1.00 0.00 C ATOM 868 CE2 PHE A 59 26.775 -4.594 9.958 1.00 0.00 C ATOM 869 CZ PHE A 59 26.407 -5.351 11.026 1.00 0.00 C ATOM 0 H PHE A 59 21.245 -4.057 9.992 1.00 0.00 H new ATOM 0 HA PHE A 59 22.882 -2.587 9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 59 22.936 -5.138 7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 59 23.999 -3.870 7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 59 23.128 -5.719 10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 59 26.103 -3.629 8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 59 24.826 -6.362 12.007 1.00 0.00 H new ATOM 0 HE2 PHE A 59 27.800 -4.270 9.853 1.00 0.00 H new ATOM 0 HZ PHE A 59 27.140 -5.628 11.769 1.00 0.00 H new TER 879 PHE A 59