USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 409 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 TYR OH : rot -37:sc= 1.23 USER MOD Set 1.2: A 51 GLN : amide:sc= -1.43 K(o=-0.19,f=-6.4!) USER MOD Single : A 1 PHE N :NH3+ -105:sc= 0.0602 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0412 K(o=-0.041,f=-2.3!) USER MOD Single : A 4 GLN :FLIP amide:sc= -2.6! C(o=-3.4!,f=-2.6!) USER MOD Single : A 5 HIS : no HE2:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -120:sc= -2.53! USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.593! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 41 GLN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -3.06! C(o=-7!,f=-3.1!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.138 USER MOD Single : A 48 SER OG : rot 9:sc= 0.173 USER MOD Single : A 54 ASN : amide:sc= -0.0814 X(o=-0.081,f=-0.38) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.735 K(o=-0.74,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 11.761 1.344 -5.058 1.00 0.00 N ATOM 2 CA PHE A 1 10.712 2.217 -4.462 1.00 0.00 C ATOM 3 C PHE A 1 11.331 3.080 -3.358 1.00 0.00 C ATOM 4 O PHE A 1 12.320 2.720 -2.751 1.00 0.00 O ATOM 5 CB PHE A 1 9.596 1.345 -3.874 1.00 0.00 C ATOM 6 CG PHE A 1 8.751 2.158 -2.922 1.00 0.00 C ATOM 7 CD1 PHE A 1 9.229 2.450 -1.638 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.494 2.626 -3.326 1.00 0.00 C ATOM 9 CE1 PHE A 1 8.451 3.207 -0.757 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.713 3.386 -2.442 1.00 0.00 C ATOM 11 CZ PHE A 1 7.193 3.676 -1.158 1.00 0.00 C ATOM 0 H1 PHE A 1 12.031 1.714 -5.992 1.00 0.00 H new ATOM 0 H2 PHE A 1 12.595 1.329 -4.437 1.00 0.00 H new ATOM 0 H3 PHE A 1 11.390 0.378 -5.163 1.00 0.00 H new ATOM 0 HA PHE A 1 10.295 2.865 -5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 1 8.974 0.947 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 1 10.028 0.491 -3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 1 10.199 2.090 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 1 7.126 2.402 -4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 1 8.820 3.430 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.743 3.747 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 1 6.593 4.261 -0.477 1.00 0.00 H new ATOM 23 N VAL A 2 10.744 4.214 -3.094 1.00 0.00 N ATOM 24 CA VAL A 2 11.280 5.107 -2.029 1.00 0.00 C ATOM 25 C VAL A 2 10.200 6.101 -1.607 1.00 0.00 C ATOM 26 O VAL A 2 9.045 5.969 -1.957 1.00 0.00 O ATOM 27 CB VAL A 2 12.490 5.874 -2.561 1.00 0.00 C ATOM 28 CG1 VAL A 2 13.668 4.916 -2.709 1.00 0.00 C ATOM 29 CG2 VAL A 2 12.149 6.482 -3.921 1.00 0.00 C ATOM 0 H VAL A 2 9.913 4.562 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 2 11.580 4.504 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 2 12.754 6.671 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.533 5.459 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.909 4.483 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.405 4.121 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.011 7.029 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.887 5.687 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.305 7.164 -3.814 1.00 0.00 H new ATOM 39 N ASN A 3 10.575 7.104 -0.864 1.00 0.00 N ATOM 40 CA ASN A 3 9.578 8.118 -0.426 1.00 0.00 C ATOM 41 C ASN A 3 8.961 8.768 -1.655 1.00 0.00 C ATOM 42 O ASN A 3 9.425 9.783 -2.135 1.00 0.00 O ATOM 43 CB ASN A 3 10.268 9.186 0.427 1.00 0.00 C ATOM 44 CG ASN A 3 10.594 8.606 1.805 1.00 0.00 C ATOM 45 OD1 ASN A 3 10.654 7.404 1.972 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.804 9.416 2.807 1.00 0.00 N ATOM 0 H ASN A 3 11.529 7.265 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 3 8.801 7.636 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.181 9.524 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.621 10.057 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.019 9.040 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.754 10.425 2.666 1.00 0.00 H new ATOM 53 N GLN A 4 7.915 8.190 -2.172 1.00 0.00 N ATOM 54 CA GLN A 4 7.278 8.779 -3.372 1.00 0.00 C ATOM 55 C GLN A 4 5.766 8.894 -3.160 1.00 0.00 C ATOM 56 O GLN A 4 5.232 8.506 -2.131 1.00 0.00 O ATOM 57 CB GLN A 4 7.567 7.899 -4.592 1.00 0.00 C ATOM 58 CG GLN A 4 6.704 6.638 -4.532 1.00 0.00 C ATOM 59 CD GLN A 4 7.191 5.635 -5.580 1.00 0.00 C ATOM 60 OE1 GLN A 4 6.870 4.377 -5.457 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 7.872 6.000 -6.517 1.00 0.00 N flip ATOM 0 H GLN A 4 7.478 7.340 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 4 7.687 9.775 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.359 8.451 -5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.623 7.628 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.757 6.195 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.659 6.891 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.123 6.984 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.193 5.322 -7.208 1.00 0.00 H new ATOM 70 N HIS A 5 5.083 9.433 -4.136 1.00 0.00 N ATOM 71 CA HIS A 5 3.609 9.599 -4.030 1.00 0.00 C ATOM 72 C HIS A 5 2.937 8.361 -4.629 1.00 0.00 C ATOM 73 O HIS A 5 2.921 8.174 -5.830 1.00 0.00 O ATOM 74 CB HIS A 5 3.197 10.839 -4.828 1.00 0.00 C ATOM 75 CG HIS A 5 3.543 12.074 -4.046 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.580 12.827 -3.405 1.00 0.00 N ATOM 77 CD2 HIS A 5 4.750 12.677 -3.817 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.223 13.848 -2.818 1.00 0.00 C ATOM 79 NE2 HIS A 5 4.551 13.798 -3.043 1.00 0.00 N ATOM 0 H HIS A 5 5.491 9.767 -5.009 1.00 0.00 H new ATOM 0 HA HIS A 5 3.309 9.716 -2.989 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.707 10.851 -5.791 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.127 10.814 -5.034 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.577 12.643 -3.382 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.704 12.330 -4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.736 14.616 -2.236 1.00 0.00 H new ATOM 87 N LEU A 6 2.401 7.505 -3.807 1.00 0.00 N ATOM 88 CA LEU A 6 1.752 6.273 -4.334 1.00 0.00 C ATOM 89 C LEU A 6 0.230 6.385 -4.272 1.00 0.00 C ATOM 90 O LEU A 6 -0.341 6.838 -3.300 1.00 0.00 O ATOM 91 CB LEU A 6 2.209 5.078 -3.502 1.00 0.00 C ATOM 92 CG LEU A 6 2.886 4.056 -4.407 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.961 4.748 -5.245 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.529 2.976 -3.543 1.00 0.00 C ATOM 0 H LEU A 6 2.384 7.605 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 6 2.042 6.142 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.900 5.405 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.355 4.624 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 6 2.148 3.606 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.445 4.016 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.502 5.525 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.704 5.196 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.016 2.240 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.269 3.430 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.762 2.485 -2.944 1.00 0.00 H new ATOM 106 N CYS A 7 -0.433 5.950 -5.304 1.00 0.00 N ATOM 107 CA CYS A 7 -1.920 5.998 -5.315 1.00 0.00 C ATOM 108 C CYS A 7 -2.437 4.588 -5.574 1.00 0.00 C ATOM 109 O CYS A 7 -1.682 3.715 -5.945 1.00 0.00 O ATOM 110 CB CYS A 7 -2.407 6.934 -6.423 1.00 0.00 C ATOM 111 SG CYS A 7 -1.657 8.568 -6.212 1.00 0.00 S ATOM 0 H CYS A 7 -0.007 5.561 -6.145 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.289 6.371 -4.359 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.145 6.526 -7.399 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.494 7.015 -6.393 1.00 0.00 H new ATOM 116 N GLY A 8 -3.708 4.365 -5.365 1.00 0.00 N ATOM 117 CA GLY A 8 -4.304 3.007 -5.576 1.00 0.00 C ATOM 118 C GLY A 8 -3.502 2.201 -6.601 1.00 0.00 C ATOM 119 O GLY A 8 -3.171 1.056 -6.374 1.00 0.00 O ATOM 0 H GLY A 8 -4.370 5.075 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.332 2.469 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.335 3.109 -5.916 1.00 0.00 H new ATOM 123 N SER A 9 -3.183 2.782 -7.722 1.00 0.00 N ATOM 124 CA SER A 9 -2.405 2.029 -8.746 1.00 0.00 C ATOM 125 C SER A 9 -1.043 1.632 -8.178 1.00 0.00 C ATOM 126 O SER A 9 -0.781 0.470 -7.937 1.00 0.00 O ATOM 127 CB SER A 9 -2.210 2.901 -9.986 1.00 0.00 C ATOM 128 OG SER A 9 -3.385 3.671 -10.207 1.00 0.00 O ATOM 0 H SER A 9 -3.425 3.740 -7.974 1.00 0.00 H new ATOM 0 HA SER A 9 -2.954 1.128 -9.019 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.351 3.558 -9.852 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.001 2.277 -10.855 1.00 0.00 H new ATOM 0 HG SER A 9 -3.263 4.233 -11.001 1.00 0.00 H new ATOM 134 N ASP A 10 -0.169 2.574 -7.955 1.00 0.00 N ATOM 135 CA ASP A 10 1.161 2.218 -7.402 1.00 0.00 C ATOM 136 C ASP A 10 0.982 1.732 -5.971 1.00 0.00 C ATOM 137 O ASP A 10 1.885 1.184 -5.371 1.00 0.00 O ATOM 138 CB ASP A 10 2.084 3.436 -7.429 1.00 0.00 C ATOM 139 CG ASP A 10 2.650 3.620 -8.839 1.00 0.00 C ATOM 140 OD1 ASP A 10 1.866 3.847 -9.746 1.00 0.00 O ATOM 141 OD2 ASP A 10 3.858 3.528 -8.988 1.00 0.00 O ATOM 0 H ASP A 10 -0.319 3.567 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 10 1.611 1.430 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.535 4.328 -7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.896 3.305 -6.714 1.00 0.00 H new ATOM 146 N LEU A 11 -0.187 1.907 -5.421 1.00 0.00 N ATOM 147 CA LEU A 11 -0.422 1.429 -4.042 1.00 0.00 C ATOM 148 C LEU A 11 -0.537 -0.081 -4.048 1.00 0.00 C ATOM 149 O LEU A 11 0.074 -0.747 -3.244 1.00 0.00 O ATOM 150 CB LEU A 11 -1.711 2.015 -3.474 1.00 0.00 C ATOM 151 CG LEU A 11 -1.403 2.723 -2.158 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.647 4.219 -2.304 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.319 2.176 -1.066 1.00 0.00 C ATOM 0 H LEU A 11 -0.984 2.359 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 11 0.416 1.747 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.150 2.716 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.444 1.224 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.360 2.549 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.425 4.718 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.001 4.618 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.690 4.393 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.102 2.679 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.359 2.353 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.151 1.105 -0.953 1.00 0.00 H new ATOM 165 N VAL A 12 -1.310 -0.636 -4.942 1.00 0.00 N ATOM 166 CA VAL A 12 -1.441 -2.116 -4.955 1.00 0.00 C ATOM 167 C VAL A 12 -0.147 -2.707 -5.464 1.00 0.00 C ATOM 168 O VAL A 12 0.255 -3.766 -5.061 1.00 0.00 O ATOM 169 CB VAL A 12 -2.585 -2.555 -5.865 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.909 -2.361 -5.144 1.00 0.00 C ATOM 171 CG2 VAL A 12 -2.565 -1.735 -7.154 1.00 0.00 C ATOM 0 H VAL A 12 -1.847 -0.137 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.654 -2.463 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.465 -3.609 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.726 -2.674 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.919 -2.960 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.033 -1.309 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.384 -2.052 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.681 -0.678 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.616 -1.889 -7.668 1.00 0.00 H new ATOM 181 N GLU A 13 0.513 -2.013 -6.334 1.00 0.00 N ATOM 182 CA GLU A 13 1.805 -2.515 -6.860 1.00 0.00 C ATOM 183 C GLU A 13 2.806 -2.522 -5.713 1.00 0.00 C ATOM 184 O GLU A 13 3.403 -3.531 -5.393 1.00 0.00 O ATOM 185 CB GLU A 13 2.290 -1.566 -7.946 1.00 0.00 C ATOM 186 CG GLU A 13 1.617 -1.924 -9.269 1.00 0.00 C ATOM 187 CD GLU A 13 2.524 -1.516 -10.430 1.00 0.00 C ATOM 188 OE1 GLU A 13 2.929 -0.366 -10.464 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.796 -2.359 -11.268 1.00 0.00 O ATOM 0 H GLU A 13 0.213 -1.113 -6.708 1.00 0.00 H new ATOM 0 HA GLU A 13 1.695 -3.518 -7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.059 -0.536 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.373 -1.633 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.417 -2.995 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.656 -1.417 -9.349 1.00 0.00 H new ATOM 196 N ALA A 14 2.966 -1.400 -5.072 1.00 0.00 N ATOM 197 CA ALA A 14 3.901 -1.327 -3.919 1.00 0.00 C ATOM 198 C ALA A 14 3.423 -2.321 -2.874 1.00 0.00 C ATOM 199 O ALA A 14 4.168 -3.151 -2.393 1.00 0.00 O ATOM 200 CB ALA A 14 3.885 0.084 -3.333 1.00 0.00 C ATOM 0 H ALA A 14 2.488 -0.528 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 14 4.918 -1.562 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.571 0.135 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.195 0.798 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.877 0.327 -2.997 1.00 0.00 H new ATOM 206 N LEU A 15 2.168 -2.257 -2.549 1.00 0.00 N ATOM 207 CA LEU A 15 1.601 -3.208 -1.565 1.00 0.00 C ATOM 208 C LEU A 15 1.791 -4.613 -2.110 1.00 0.00 C ATOM 209 O LEU A 15 2.129 -5.538 -1.402 1.00 0.00 O ATOM 210 CB LEU A 15 0.118 -2.932 -1.409 1.00 0.00 C ATOM 211 CG LEU A 15 -0.104 -2.067 -0.177 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.426 -1.330 -0.305 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.148 -2.964 1.054 1.00 0.00 C ATOM 0 H LEU A 15 1.505 -1.580 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 15 2.094 -3.102 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.265 -2.427 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.430 -3.869 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 15 0.706 -1.344 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.584 -0.711 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.406 -0.698 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.238 -2.052 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.307 -2.354 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.964 -3.679 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.796 -3.501 1.146 1.00 0.00 H new ATOM 225 N TYR A 16 1.593 -4.753 -3.383 1.00 0.00 N ATOM 226 CA TYR A 16 1.768 -6.066 -4.049 1.00 0.00 C ATOM 227 C TYR A 16 3.209 -6.508 -3.826 1.00 0.00 C ATOM 228 O TYR A 16 3.548 -7.672 -3.897 1.00 0.00 O ATOM 229 CB TYR A 16 1.483 -5.867 -5.539 1.00 0.00 C ATOM 230 CG TYR A 16 2.156 -6.920 -6.368 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.558 -8.168 -6.532 1.00 0.00 C ATOM 232 CD2 TYR A 16 3.374 -6.629 -6.987 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.185 -9.142 -7.320 1.00 0.00 C ATOM 234 CE2 TYR A 16 4.003 -7.597 -7.778 1.00 0.00 C ATOM 235 CZ TYR A 16 3.409 -8.857 -7.944 1.00 0.00 C ATOM 236 OH TYR A 16 4.028 -9.813 -8.724 1.00 0.00 O ATOM 0 H TYR A 16 1.311 -3.996 -4.005 1.00 0.00 H new ATOM 0 HA TYR A 16 1.096 -6.827 -3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.407 -5.897 -5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.829 -4.881 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.614 -8.384 -6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.829 -5.659 -6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.727 -10.112 -7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.944 -7.375 -8.260 1.00 0.00 H new ATOM 0 HH TYR A 16 4.865 -9.451 -9.082 1.00 0.00 H new ATOM 246 N LEU A 17 4.049 -5.558 -3.542 1.00 0.00 N ATOM 247 CA LEU A 17 5.477 -5.844 -3.289 1.00 0.00 C ATOM 248 C LEU A 17 5.676 -6.092 -1.798 1.00 0.00 C ATOM 249 O LEU A 17 6.016 -7.175 -1.366 1.00 0.00 O ATOM 250 CB LEU A 17 6.274 -4.611 -3.707 1.00 0.00 C ATOM 251 CG LEU A 17 7.188 -4.930 -4.890 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.480 -5.863 -5.880 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.546 -3.626 -5.601 1.00 0.00 C ATOM 0 H LEU A 17 3.796 -4.572 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 17 5.805 -6.721 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.591 -3.805 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.870 -4.256 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 17 8.087 -5.425 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.146 -6.079 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.215 -6.793 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.576 -5.381 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.198 -3.840 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.636 -3.144 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.060 -2.962 -4.906 1.00 0.00 H new ATOM 265 N VAL A 18 5.460 -5.078 -1.019 1.00 0.00 N ATOM 266 CA VAL A 18 5.625 -5.209 0.463 1.00 0.00 C ATOM 267 C VAL A 18 4.866 -6.431 0.952 1.00 0.00 C ATOM 268 O VAL A 18 5.189 -7.017 1.967 1.00 0.00 O ATOM 269 CB VAL A 18 5.057 -3.984 1.197 1.00 0.00 C ATOM 270 CG1 VAL A 18 6.196 -3.141 1.740 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.211 -3.131 0.258 1.00 0.00 C ATOM 0 H VAL A 18 5.174 -4.153 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 18 6.691 -5.296 0.671 1.00 0.00 H new ATOM 0 HB VAL A 18 4.429 -4.337 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.790 -2.273 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.790 -3.735 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.827 -2.808 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.820 -2.270 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.826 -2.787 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.381 -3.725 -0.125 1.00 0.00 H new ATOM 281 N CYS A 19 3.839 -6.800 0.256 1.00 0.00 N ATOM 282 CA CYS A 19 3.034 -7.964 0.699 1.00 0.00 C ATOM 283 C CYS A 19 3.585 -9.241 0.077 1.00 0.00 C ATOM 284 O CYS A 19 4.137 -10.091 0.749 1.00 0.00 O ATOM 285 CB CYS A 19 1.585 -7.773 0.255 1.00 0.00 C ATOM 286 SG CYS A 19 0.775 -6.602 1.360 1.00 0.00 S ATOM 0 H CYS A 19 3.520 -6.348 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 19 3.082 -8.042 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.552 -7.406 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.059 -8.728 0.269 1.00 0.00 H new ATOM 291 N GLY A 20 3.429 -9.380 -1.202 1.00 0.00 N ATOM 292 CA GLY A 20 3.928 -10.600 -1.890 1.00 0.00 C ATOM 293 C GLY A 20 2.997 -11.771 -1.568 1.00 0.00 C ATOM 294 O GLY A 20 2.248 -12.231 -2.406 1.00 0.00 O ATOM 0 H GLY A 20 2.974 -8.698 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.967 -10.435 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.944 -10.826 -1.565 1.00 0.00 H new ATOM 298 N GLU A 21 3.042 -12.257 -0.357 1.00 0.00 N ATOM 299 CA GLU A 21 2.161 -13.399 0.022 1.00 0.00 C ATOM 300 C GLU A 21 1.569 -13.163 1.415 1.00 0.00 C ATOM 301 O GLU A 21 0.850 -13.991 1.940 1.00 0.00 O ATOM 302 CB GLU A 21 2.985 -14.683 0.040 1.00 0.00 C ATOM 303 CG GLU A 21 2.955 -15.330 -1.345 1.00 0.00 C ATOM 304 CD GLU A 21 4.111 -14.789 -2.188 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.840 -13.949 -1.689 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.247 -15.224 -3.319 1.00 0.00 O ATOM 0 H GLU A 21 3.650 -11.913 0.386 1.00 0.00 H new ATOM 0 HA GLU A 21 1.352 -13.484 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.013 -14.463 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.586 -15.373 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.034 -16.413 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.004 -15.120 -1.835 1.00 0.00 H new ATOM 313 N ARG A 22 1.867 -12.047 2.025 1.00 0.00 N ATOM 314 CA ARG A 22 1.323 -11.772 3.385 1.00 0.00 C ATOM 315 C ARG A 22 -0.204 -11.682 3.326 1.00 0.00 C ATOM 316 O ARG A 22 -0.874 -11.680 4.339 1.00 0.00 O ATOM 317 CB ARG A 22 1.884 -10.447 3.904 1.00 0.00 C ATOM 318 CG ARG A 22 3.413 -10.506 3.926 1.00 0.00 C ATOM 319 CD ARG A 22 3.875 -11.368 5.102 1.00 0.00 C ATOM 320 NE ARG A 22 3.109 -10.994 6.325 1.00 0.00 N ATOM 321 CZ ARG A 22 3.550 -10.047 7.106 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.786 -10.069 7.527 1.00 0.00 N ATOM 323 NH2 ARG A 22 2.755 -9.078 7.470 1.00 0.00 N ATOM 0 H ARG A 22 2.463 -11.315 1.640 1.00 0.00 H new ATOM 0 HA ARG A 22 1.614 -12.582 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.551 -9.627 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.504 -10.248 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.785 -10.921 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.825 -9.501 4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.724 -12.423 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.943 -11.228 5.272 1.00 0.00 H new ATOM 0 HE ARG A 22 2.240 -11.479 6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.407 -10.827 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.130 -9.328 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.789 -9.061 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.100 -8.337 8.081 1.00 0.00 H new ATOM 337 N GLY A 23 -0.760 -11.601 2.149 1.00 0.00 N ATOM 338 CA GLY A 23 -2.244 -11.506 2.032 1.00 0.00 C ATOM 339 C GLY A 23 -2.666 -10.042 2.170 1.00 0.00 C ATOM 340 O GLY A 23 -2.907 -9.552 3.255 1.00 0.00 O ATOM 0 H GLY A 23 -0.253 -11.596 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.571 -11.902 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.721 -12.109 2.805 1.00 0.00 H new ATOM 344 N PHE A 24 -2.749 -9.336 1.075 1.00 0.00 N ATOM 345 CA PHE A 24 -3.144 -7.899 1.136 1.00 0.00 C ATOM 346 C PHE A 24 -4.496 -7.706 0.442 1.00 0.00 C ATOM 347 O PHE A 24 -5.025 -8.608 -0.177 1.00 0.00 O ATOM 348 CB PHE A 24 -2.060 -7.054 0.437 1.00 0.00 C ATOM 349 CG PHE A 24 -2.564 -6.524 -0.890 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.941 -7.417 -1.904 1.00 0.00 C ATOM 351 CD2 PHE A 24 -2.664 -5.145 -1.098 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.413 -6.925 -3.126 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.138 -4.652 -2.319 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.513 -5.541 -3.335 1.00 0.00 C ATOM 0 H PHE A 24 -2.560 -9.693 0.138 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.237 -7.582 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.770 -6.223 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.168 -7.659 0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.867 -8.482 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.375 -4.459 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.701 -7.611 -3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.215 -3.587 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.879 -5.162 -4.278 1.00 0.00 H new ATOM 364 N PHE A 25 -5.039 -6.523 0.516 1.00 0.00 N ATOM 365 CA PHE A 25 -6.332 -6.258 -0.173 1.00 0.00 C ATOM 366 C PHE A 25 -6.510 -4.752 -0.334 1.00 0.00 C ATOM 367 O PHE A 25 -6.572 -4.238 -1.433 1.00 0.00 O ATOM 368 CB PHE A 25 -7.503 -6.848 0.630 1.00 0.00 C ATOM 369 CG PHE A 25 -7.378 -6.494 2.095 1.00 0.00 C ATOM 370 CD1 PHE A 25 -6.376 -7.082 2.878 1.00 0.00 C ATOM 371 CD2 PHE A 25 -8.266 -5.573 2.671 1.00 0.00 C ATOM 372 CE1 PHE A 25 -6.261 -6.752 4.234 1.00 0.00 C ATOM 373 CE2 PHE A 25 -8.150 -5.243 4.028 1.00 0.00 C ATOM 374 CZ PHE A 25 -7.147 -5.832 4.810 1.00 0.00 C ATOM 0 H PHE A 25 -4.645 -5.730 1.022 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.321 -6.733 -1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.447 -6.469 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.522 -7.932 0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.692 -7.791 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.039 -5.119 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.489 -7.207 4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.834 -4.534 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.057 -5.577 5.856 1.00 0.00 H new ATOM 384 N TYR A 26 -6.567 -4.059 0.762 1.00 0.00 N ATOM 385 CA TYR A 26 -6.728 -2.583 0.756 1.00 0.00 C ATOM 386 C TYR A 26 -7.194 -2.164 2.151 1.00 0.00 C ATOM 387 O TYR A 26 -6.397 -1.861 3.017 1.00 0.00 O ATOM 388 CB TYR A 26 -7.763 -2.140 -0.296 1.00 0.00 C ATOM 389 CG TYR A 26 -7.219 -0.966 -1.076 1.00 0.00 C ATOM 390 CD1 TYR A 26 -6.912 0.227 -0.410 1.00 0.00 C ATOM 391 CD2 TYR A 26 -7.039 -1.061 -2.462 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.423 1.325 -1.127 1.00 0.00 C ATOM 393 CE2 TYR A 26 -6.550 0.040 -3.182 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.243 1.231 -2.511 1.00 0.00 C ATOM 395 OH TYR A 26 -5.771 2.319 -3.214 1.00 0.00 O ATOM 0 H TYR A 26 -6.507 -4.469 1.694 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.780 -2.110 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.987 -2.966 -0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.698 -1.864 0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.053 0.300 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.276 -1.981 -2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.185 2.244 -0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.411 -0.031 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.431 2.584 -3.888 1.00 0.00 H new ATOM 405 N THR A 27 -8.475 -2.144 2.374 1.00 0.00 N ATOM 406 CA THR A 27 -9.000 -1.749 3.709 1.00 0.00 C ATOM 407 C THR A 27 -10.474 -2.143 3.799 1.00 0.00 C ATOM 408 O THR A 27 -10.839 -3.149 4.373 1.00 0.00 O ATOM 409 CB THR A 27 -8.843 -0.230 3.899 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.065 0.332 4.356 1.00 0.00 O ATOM 411 CG2 THR A 27 -8.434 0.434 2.577 1.00 0.00 C ATOM 0 H THR A 27 -9.187 -2.386 1.685 1.00 0.00 H new ATOM 0 HA THR A 27 -8.441 -2.258 4.494 1.00 0.00 H new ATOM 0 HB THR A 27 -8.064 -0.052 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.141 1.255 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.327 1.508 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.485 0.018 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.200 0.248 1.824 1.00 0.00 H new ATOM 419 N ASP A 28 -11.311 -1.334 3.222 1.00 0.00 N ATOM 420 CA ASP A 28 -12.775 -1.596 3.231 1.00 0.00 C ATOM 421 C ASP A 28 -13.357 -1.143 1.888 1.00 0.00 C ATOM 422 O ASP A 28 -13.365 0.035 1.594 1.00 0.00 O ATOM 423 CB ASP A 28 -13.423 -0.789 4.360 1.00 0.00 C ATOM 424 CG ASP A 28 -14.857 -1.275 4.577 1.00 0.00 C ATOM 425 OD1 ASP A 28 -15.169 -2.365 4.125 1.00 0.00 O ATOM 426 OD2 ASP A 28 -15.620 -0.549 5.193 1.00 0.00 O ATOM 0 H ASP A 28 -11.037 -0.482 2.733 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.968 -2.658 3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.847 -0.901 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.421 0.272 4.110 1.00 0.00 H new ATOM 431 N PRO A 29 -13.816 -2.084 1.102 1.00 0.00 N ATOM 432 CA PRO A 29 -14.386 -1.792 -0.225 1.00 0.00 C ATOM 433 C PRO A 29 -15.782 -1.180 -0.095 1.00 0.00 C ATOM 434 O PRO A 29 -16.784 -1.861 -0.187 1.00 0.00 O ATOM 435 CB PRO A 29 -14.438 -3.164 -0.906 1.00 0.00 C ATOM 436 CG PRO A 29 -14.428 -4.214 0.229 1.00 0.00 C ATOM 437 CD PRO A 29 -13.821 -3.518 1.462 1.00 0.00 C ATOM 0 HA PRO A 29 -13.801 -1.067 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.335 -3.261 -1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.584 -3.301 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.437 -4.567 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.838 -5.086 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.416 -3.702 2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.814 -3.880 1.669 1.00 0.00 H new ATOM 445 N THR A 30 -15.853 0.109 0.113 1.00 0.00 N ATOM 446 CA THR A 30 -17.178 0.775 0.245 1.00 0.00 C ATOM 447 C THR A 30 -17.247 1.967 -0.710 1.00 0.00 C ATOM 448 O THR A 30 -17.845 1.900 -1.765 1.00 0.00 O ATOM 449 CB THR A 30 -17.361 1.265 1.683 1.00 0.00 C ATOM 450 OG1 THR A 30 -16.149 1.846 2.142 1.00 0.00 O ATOM 451 CG2 THR A 30 -17.737 0.086 2.580 1.00 0.00 C ATOM 0 H THR A 30 -15.047 0.729 0.197 1.00 0.00 H new ATOM 0 HA THR A 30 -17.967 0.065 -0.001 1.00 0.00 H new ATOM 0 HB THR A 30 -18.155 2.011 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.266 2.162 3.062 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.867 0.435 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 30 -18.668 -0.358 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.944 -0.662 2.550 1.00 0.00 H new ATOM 459 N GLY A 31 -16.643 3.057 -0.338 1.00 0.00 N ATOM 460 CA GLY A 31 -16.671 4.265 -1.212 1.00 0.00 C ATOM 461 C GLY A 31 -15.304 4.459 -1.877 1.00 0.00 C ATOM 462 O GLY A 31 -14.586 3.511 -2.129 1.00 0.00 O ATOM 0 H GLY A 31 -16.129 3.167 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.443 4.156 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.927 5.145 -0.622 1.00 0.00 H new ATOM 466 N GLY A 32 -14.944 5.681 -2.166 1.00 0.00 N ATOM 467 CA GLY A 32 -13.628 5.944 -2.820 1.00 0.00 C ATOM 468 C GLY A 32 -12.497 5.448 -1.917 1.00 0.00 C ATOM 469 O GLY A 32 -12.528 4.337 -1.429 1.00 0.00 O ATOM 0 H GLY A 32 -15.506 6.511 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.583 5.440 -3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.513 7.011 -3.012 1.00 0.00 H new ATOM 473 N GLY A 33 -11.498 6.266 -1.694 1.00 0.00 N ATOM 474 CA GLY A 33 -10.360 5.846 -0.822 1.00 0.00 C ATOM 475 C GLY A 33 -10.900 5.061 0.378 1.00 0.00 C ATOM 476 O GLY A 33 -11.333 5.647 1.354 1.00 0.00 O ATOM 0 H GLY A 33 -11.422 7.207 -2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.661 5.230 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.808 6.721 -0.479 1.00 0.00 H new ATOM 480 N PRO A 34 -10.850 3.753 0.274 1.00 0.00 N ATOM 481 CA PRO A 34 -11.351 2.859 1.336 1.00 0.00 C ATOM 482 C PRO A 34 -10.536 3.067 2.603 1.00 0.00 C ATOM 483 O PRO A 34 -10.974 2.791 3.702 1.00 0.00 O ATOM 484 CB PRO A 34 -11.182 1.460 0.741 1.00 0.00 C ATOM 485 CG PRO A 34 -10.141 1.592 -0.390 1.00 0.00 C ATOM 486 CD PRO A 34 -10.236 3.050 -0.873 1.00 0.00 C ATOM 0 HA PRO A 34 -12.386 3.040 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.845 0.753 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -12.130 1.085 0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.138 1.364 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.353 0.896 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.255 3.458 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.848 3.137 -1.771 1.00 0.00 H new ATOM 494 N ARG A 35 -9.377 3.609 2.443 1.00 0.00 N ATOM 495 CA ARG A 35 -8.520 3.922 3.603 1.00 0.00 C ATOM 496 C ARG A 35 -7.664 5.101 3.219 1.00 0.00 C ATOM 497 O ARG A 35 -6.454 5.017 3.160 1.00 0.00 O ATOM 498 CB ARG A 35 -7.636 2.742 3.988 1.00 0.00 C ATOM 499 CG ARG A 35 -6.677 3.183 5.095 1.00 0.00 C ATOM 500 CD ARG A 35 -7.107 2.556 6.422 1.00 0.00 C ATOM 501 NE ARG A 35 -6.475 1.214 6.565 1.00 0.00 N ATOM 502 CZ ARG A 35 -6.713 0.490 7.624 1.00 0.00 C ATOM 503 NH1 ARG A 35 -7.943 0.258 7.992 1.00 0.00 N ATOM 504 NH2 ARG A 35 -5.721 -0.001 8.316 1.00 0.00 N ATOM 0 H ARG A 35 -8.977 3.855 1.537 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.143 4.146 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.249 1.908 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.076 2.392 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.659 2.880 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.675 4.270 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.813 3.198 7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.193 2.464 6.458 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.856 0.861 5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.718 0.643 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.130 -0.308 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.759 0.181 8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.908 -0.567 9.144 1.00 0.00 H new ATOM 518 N ARG A 36 -8.299 6.203 2.935 1.00 0.00 N ATOM 519 CA ARG A 36 -7.542 7.414 2.532 1.00 0.00 C ATOM 520 C ARG A 36 -6.263 7.533 3.359 1.00 0.00 C ATOM 521 O ARG A 36 -5.292 8.094 2.905 1.00 0.00 O ATOM 522 CB ARG A 36 -8.400 8.656 2.714 1.00 0.00 C ATOM 523 CG ARG A 36 -8.973 8.686 4.132 1.00 0.00 C ATOM 524 CD ARG A 36 -10.454 8.309 4.098 1.00 0.00 C ATOM 525 NE ARG A 36 -10.922 8.000 5.478 1.00 0.00 N ATOM 526 CZ ARG A 36 -11.120 8.966 6.332 1.00 0.00 C ATOM 527 NH1 ARG A 36 -10.106 9.509 6.950 1.00 0.00 N ATOM 528 NH2 ARG A 36 -12.331 9.389 6.569 1.00 0.00 N ATOM 0 H ARG A 36 -9.312 6.315 2.965 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.274 7.325 1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.804 9.551 2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.210 8.660 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.426 7.992 4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.851 9.680 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.039 9.128 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.605 7.446 3.450 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.088 7.033 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.159 9.178 6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.261 10.264 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.123 8.964 6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.486 10.144 7.237 1.00 0.00 H new ATOM 542 N GLY A 37 -6.219 6.978 4.542 1.00 0.00 N ATOM 543 CA GLY A 37 -4.950 7.043 5.322 1.00 0.00 C ATOM 544 C GLY A 37 -3.832 6.692 4.345 1.00 0.00 C ATOM 545 O GLY A 37 -2.787 7.312 4.311 1.00 0.00 O ATOM 0 H GLY A 37 -6.992 6.491 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.802 8.038 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.970 6.344 6.158 1.00 0.00 H new ATOM 549 N ILE A 38 -4.095 5.727 3.499 1.00 0.00 N ATOM 550 CA ILE A 38 -3.111 5.350 2.456 1.00 0.00 C ATOM 551 C ILE A 38 -3.442 6.126 1.183 1.00 0.00 C ATOM 552 O ILE A 38 -2.671 6.926 0.690 1.00 0.00 O ATOM 553 CB ILE A 38 -3.195 3.856 2.125 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.750 3.035 3.291 1.00 0.00 C ATOM 555 CG2 ILE A 38 -1.804 3.362 1.786 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.794 2.062 2.747 1.00 0.00 C ATOM 0 H ILE A 38 -4.958 5.184 3.492 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.111 5.577 2.826 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.876 3.731 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.946 2.490 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.197 3.692 4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.843 2.299 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.422 3.913 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.144 3.518 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.200 1.468 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.599 2.621 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.329 1.401 2.016 1.00 0.00 H new ATOM 568 N VAL A 39 -4.596 5.852 0.650 1.00 0.00 N ATOM 569 CA VAL A 39 -5.058 6.506 -0.609 1.00 0.00 C ATOM 570 C VAL A 39 -4.881 8.023 -0.542 1.00 0.00 C ATOM 571 O VAL A 39 -4.579 8.664 -1.528 1.00 0.00 O ATOM 572 CB VAL A 39 -6.537 6.156 -0.829 1.00 0.00 C ATOM 573 CG1 VAL A 39 -7.201 7.221 -1.709 1.00 0.00 C ATOM 574 CG2 VAL A 39 -6.622 4.802 -1.532 1.00 0.00 C ATOM 0 H VAL A 39 -5.259 5.184 1.043 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.457 6.141 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.049 6.117 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.250 6.966 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.131 8.193 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.695 7.263 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.668 4.541 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.109 4.858 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.150 4.040 -0.912 1.00 0.00 H new ATOM 584 N GLU A 40 -5.079 8.603 0.596 1.00 0.00 N ATOM 585 CA GLU A 40 -4.934 10.079 0.700 1.00 0.00 C ATOM 586 C GLU A 40 -3.502 10.421 1.089 1.00 0.00 C ATOM 587 O GLU A 40 -3.057 11.541 0.947 1.00 0.00 O ATOM 588 CB GLU A 40 -5.903 10.638 1.747 1.00 0.00 C ATOM 589 CG GLU A 40 -5.530 12.086 2.068 1.00 0.00 C ATOM 590 CD GLU A 40 -6.803 12.900 2.306 1.00 0.00 C ATOM 591 OE1 GLU A 40 -7.354 13.398 1.336 1.00 0.00 O ATOM 592 OE2 GLU A 40 -7.206 13.009 3.451 1.00 0.00 O ATOM 0 H GLU A 40 -5.335 8.126 1.460 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.168 10.527 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.926 10.589 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.865 10.033 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.893 12.121 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.959 12.516 1.246 1.00 0.00 H new ATOM 599 N GLN A 41 -2.778 9.464 1.586 1.00 0.00 N ATOM 600 CA GLN A 41 -1.377 9.733 1.989 1.00 0.00 C ATOM 601 C GLN A 41 -0.445 9.464 0.811 1.00 0.00 C ATOM 602 O GLN A 41 -0.064 10.362 0.094 1.00 0.00 O ATOM 603 CB GLN A 41 -1.016 8.826 3.169 1.00 0.00 C ATOM 604 CG GLN A 41 0.444 9.053 3.564 1.00 0.00 C ATOM 605 CD GLN A 41 0.697 8.443 4.944 1.00 0.00 C ATOM 606 OE1 GLN A 41 0.244 8.964 5.943 1.00 0.00 O ATOM 607 NE2 GLN A 41 1.406 7.352 5.040 1.00 0.00 N ATOM 0 H GLN A 41 -3.097 8.506 1.731 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.269 10.775 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.669 9.037 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.172 7.782 2.899 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.107 8.600 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.667 10.120 3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.786 6.915 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.580 6.936 5.955 1.00 0.00 H new ATOM 616 N CYS A 42 -0.082 8.235 0.609 1.00 0.00 N ATOM 617 CA CYS A 42 0.822 7.885 -0.521 1.00 0.00 C ATOM 618 C CYS A 42 0.451 8.712 -1.755 1.00 0.00 C ATOM 619 O CYS A 42 1.305 9.176 -2.479 1.00 0.00 O ATOM 620 CB CYS A 42 0.645 6.400 -0.859 1.00 0.00 C ATOM 621 SG CYS A 42 1.560 5.357 0.306 1.00 0.00 S ATOM 0 H CYS A 42 -0.375 7.445 1.184 1.00 0.00 H new ATOM 0 HA CYS A 42 1.853 8.092 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.413 6.141 -0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.994 6.210 -1.874 1.00 0.00 H new ATOM 626 N CYS A 43 -0.819 8.880 -2.011 1.00 0.00 N ATOM 627 CA CYS A 43 -1.239 9.648 -3.218 1.00 0.00 C ATOM 628 C CYS A 43 -1.002 11.153 -3.028 1.00 0.00 C ATOM 629 O CYS A 43 -0.405 11.800 -3.866 1.00 0.00 O ATOM 630 CB CYS A 43 -2.723 9.388 -3.494 1.00 0.00 C ATOM 631 SG CYS A 43 -3.068 9.649 -5.253 1.00 0.00 S ATOM 0 H CYS A 43 -1.582 8.519 -1.438 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.639 9.316 -4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.983 8.369 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.338 10.055 -2.889 1.00 0.00 H new ATOM 636 N HIS A 44 -1.470 11.722 -1.951 1.00 0.00 N ATOM 637 CA HIS A 44 -1.270 13.188 -1.748 1.00 0.00 C ATOM 638 C HIS A 44 0.113 13.448 -1.152 1.00 0.00 C ATOM 639 O HIS A 44 0.803 14.364 -1.547 1.00 0.00 O ATOM 640 CB HIS A 44 -2.348 13.724 -0.809 1.00 0.00 C ATOM 641 CG HIS A 44 -3.695 13.347 -1.353 1.00 0.00 C ATOM 642 ND1 HIS A 44 -4.267 12.123 -1.564 1.00 0.00 N flip ATOM 643 CD2 HIS A 44 -4.599 14.302 -1.760 1.00 0.00 C flip ATOM 644 CE1 HIS A 44 -5.522 12.309 -2.106 1.00 0.00 C flip ATOM 645 NE2 HIS A 44 -5.679 13.644 -2.205 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.978 11.242 -1.208 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.342 13.697 -2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.216 13.312 0.191 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.267 14.807 -0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.464 15.373 -1.727 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.230 11.545 -2.391 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.515 14.097 -2.573 1.00 0.00 H new ATOM 653 N SER A 45 0.522 12.649 -0.211 1.00 0.00 N ATOM 654 CA SER A 45 1.864 12.840 0.403 1.00 0.00 C ATOM 655 C SER A 45 2.773 11.681 -0.031 1.00 0.00 C ATOM 656 O SER A 45 2.980 11.465 -1.207 1.00 0.00 O ATOM 657 CB SER A 45 1.725 12.872 1.926 1.00 0.00 C ATOM 658 OG SER A 45 3.001 13.102 2.508 1.00 0.00 O ATOM 0 H SER A 45 -0.017 11.868 0.162 1.00 0.00 H new ATOM 0 HA SER A 45 2.302 13.783 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.030 13.657 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.313 11.929 2.285 1.00 0.00 H new ATOM 0 HG SER A 45 2.916 13.125 3.484 1.00 0.00 H new ATOM 664 N ILE A 46 3.313 10.928 0.894 1.00 0.00 N ATOM 665 CA ILE A 46 4.195 9.790 0.498 1.00 0.00 C ATOM 666 C ILE A 46 4.269 8.785 1.642 1.00 0.00 C ATOM 667 O ILE A 46 3.902 9.069 2.765 1.00 0.00 O ATOM 668 CB ILE A 46 5.615 10.315 0.193 1.00 0.00 C ATOM 669 CG1 ILE A 46 5.682 10.922 -1.214 1.00 0.00 C ATOM 670 CG2 ILE A 46 6.638 9.180 0.295 1.00 0.00 C ATOM 671 CD1 ILE A 46 5.754 12.441 -1.097 1.00 0.00 C ATOM 0 H ILE A 46 3.182 11.051 1.898 1.00 0.00 H new ATOM 0 HA ILE A 46 3.785 9.309 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 46 5.849 11.086 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.555 10.544 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.805 10.630 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.634 9.567 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.622 8.766 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.387 8.399 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.802 12.881 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.867 12.809 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.644 12.721 -0.534 1.00 0.00 H new ATOM 683 N CYS A 47 4.754 7.610 1.362 1.00 0.00 N ATOM 684 CA CYS A 47 4.862 6.581 2.439 1.00 0.00 C ATOM 685 C CYS A 47 6.074 5.688 2.169 1.00 0.00 C ATOM 686 O CYS A 47 6.936 6.020 1.380 1.00 0.00 O ATOM 687 CB CYS A 47 3.598 5.714 2.488 1.00 0.00 C ATOM 688 SG CYS A 47 2.192 6.600 1.764 1.00 0.00 S ATOM 0 H CYS A 47 5.079 7.315 0.441 1.00 0.00 H new ATOM 0 HA CYS A 47 4.977 7.090 3.396 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.767 4.783 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.374 5.446 3.520 1.00 0.00 H new ATOM 693 N SER A 48 6.151 4.559 2.818 1.00 0.00 N ATOM 694 CA SER A 48 7.315 3.657 2.591 1.00 0.00 C ATOM 695 C SER A 48 6.868 2.197 2.649 1.00 0.00 C ATOM 696 O SER A 48 5.919 1.852 3.315 1.00 0.00 O ATOM 697 CB SER A 48 8.372 3.913 3.662 1.00 0.00 C ATOM 698 OG SER A 48 9.096 5.092 3.338 1.00 0.00 O ATOM 0 H SER A 48 5.463 4.223 3.492 1.00 0.00 H new ATOM 0 HA SER A 48 7.736 3.858 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.898 4.020 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.051 3.063 3.729 1.00 0.00 H new ATOM 0 HG SER A 48 8.659 5.549 2.589 1.00 0.00 H new ATOM 704 N LEU A 49 7.559 1.340 1.951 1.00 0.00 N ATOM 705 CA LEU A 49 7.192 -0.105 1.946 1.00 0.00 C ATOM 706 C LEU A 49 6.761 -0.540 3.336 1.00 0.00 C ATOM 707 O LEU A 49 5.833 -1.304 3.507 1.00 0.00 O ATOM 708 CB LEU A 49 8.419 -0.918 1.544 1.00 0.00 C ATOM 709 CG LEU A 49 8.450 -1.156 0.033 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.743 -0.020 -0.720 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.906 -1.219 -0.411 1.00 0.00 C ATOM 0 H LEU A 49 8.369 1.580 1.379 1.00 0.00 H new ATOM 0 HA LEU A 49 6.372 -0.265 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.324 -0.393 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.412 -1.875 2.066 1.00 0.00 H new ATOM 0 HG LEU A 49 7.932 -2.088 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.780 -0.215 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.703 0.038 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.243 0.925 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.951 -1.388 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.401 -0.278 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.409 -2.036 0.106 1.00 0.00 H new ATOM 723 N TYR A 50 7.440 -0.059 4.324 1.00 0.00 N ATOM 724 CA TYR A 50 7.088 -0.438 5.718 1.00 0.00 C ATOM 725 C TYR A 50 5.680 0.063 6.019 1.00 0.00 C ATOM 726 O TYR A 50 4.873 -0.615 6.623 1.00 0.00 O ATOM 727 CB TYR A 50 8.109 0.164 6.698 1.00 0.00 C ATOM 728 CG TYR A 50 7.735 1.586 7.067 1.00 0.00 C ATOM 729 CD1 TYR A 50 6.661 1.827 7.934 1.00 0.00 C ATOM 730 CD2 TYR A 50 8.473 2.660 6.551 1.00 0.00 C ATOM 731 CE1 TYR A 50 6.325 3.141 8.287 1.00 0.00 C ATOM 732 CE2 TYR A 50 8.135 3.975 6.904 1.00 0.00 C ATOM 733 CZ TYR A 50 7.062 4.215 7.771 1.00 0.00 C ATOM 734 OH TYR A 50 6.732 5.509 8.117 1.00 0.00 O ATOM 0 H TYR A 50 8.227 0.583 4.233 1.00 0.00 H new ATOM 0 HA TYR A 50 7.114 -1.522 5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.159 -0.448 7.599 1.00 0.00 H new ATOM 0 HB3 TYR A 50 9.102 0.150 6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.092 0.999 8.331 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.301 2.475 5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.498 3.326 8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.703 4.803 6.507 1.00 0.00 H new ATOM 0 HH TYR A 50 5.758 5.592 8.180 1.00 0.00 H new ATOM 744 N GLN A 51 5.384 1.245 5.576 1.00 0.00 N ATOM 745 CA GLN A 51 4.033 1.817 5.795 1.00 0.00 C ATOM 746 C GLN A 51 3.012 0.950 5.058 1.00 0.00 C ATOM 747 O GLN A 51 1.972 0.610 5.584 1.00 0.00 O ATOM 748 CB GLN A 51 4.006 3.240 5.235 1.00 0.00 C ATOM 749 CG GLN A 51 2.914 4.049 5.929 1.00 0.00 C ATOM 750 CD GLN A 51 3.270 4.229 7.406 1.00 0.00 C ATOM 751 OE1 GLN A 51 4.249 4.870 7.735 1.00 0.00 O ATOM 752 NE2 GLN A 51 2.508 3.688 8.318 1.00 0.00 N ATOM 0 H GLN A 51 6.028 1.848 5.065 1.00 0.00 H new ATOM 0 HA GLN A 51 3.793 1.841 6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.975 3.717 5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.825 3.214 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.807 5.022 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.955 3.540 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.686 3.150 8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.734 3.803 9.306 1.00 0.00 H new ATOM 761 N LEU A 52 3.314 0.584 3.843 1.00 0.00 N ATOM 762 CA LEU A 52 2.379 -0.273 3.065 1.00 0.00 C ATOM 763 C LEU A 52 2.410 -1.689 3.636 1.00 0.00 C ATOM 764 O LEU A 52 1.470 -2.447 3.501 1.00 0.00 O ATOM 765 CB LEU A 52 2.812 -0.301 1.598 1.00 0.00 C ATOM 766 CG LEU A 52 2.578 1.073 0.968 1.00 0.00 C ATOM 767 CD1 LEU A 52 3.923 1.719 0.632 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.757 0.910 -0.314 1.00 0.00 C ATOM 0 H LEU A 52 4.171 0.843 3.355 1.00 0.00 H new ATOM 0 HA LEU A 52 1.368 0.128 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.865 -0.571 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.249 -1.061 1.057 1.00 0.00 H new ATOM 0 HG LEU A 52 2.038 1.707 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.754 2.698 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.509 1.834 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.465 1.086 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.589 1.888 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.299 0.275 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.798 0.450 -0.076 1.00 0.00 H new ATOM 780 N GLU A 53 3.484 -2.048 4.280 1.00 0.00 N ATOM 781 CA GLU A 53 3.578 -3.412 4.868 1.00 0.00 C ATOM 782 C GLU A 53 2.506 -3.567 5.944 1.00 0.00 C ATOM 783 O GLU A 53 2.083 -4.660 6.266 1.00 0.00 O ATOM 784 CB GLU A 53 4.961 -3.612 5.490 1.00 0.00 C ATOM 785 CG GLU A 53 5.263 -5.107 5.592 1.00 0.00 C ATOM 786 CD GLU A 53 6.702 -5.308 6.072 1.00 0.00 C ATOM 787 OE1 GLU A 53 6.985 -4.943 7.201 1.00 0.00 O ATOM 788 OE2 GLU A 53 7.497 -5.820 5.301 1.00 0.00 O ATOM 0 H GLU A 53 4.301 -1.455 4.425 1.00 0.00 H new ATOM 0 HA GLU A 53 3.427 -4.158 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.719 -3.118 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.996 -3.155 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.568 -5.582 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.122 -5.584 4.622 1.00 0.00 H new ATOM 795 N ASN A 54 2.066 -2.476 6.502 1.00 0.00 N ATOM 796 CA ASN A 54 1.019 -2.550 7.559 1.00 0.00 C ATOM 797 C ASN A 54 -0.365 -2.524 6.908 1.00 0.00 C ATOM 798 O ASN A 54 -1.370 -2.731 7.560 1.00 0.00 O ATOM 799 CB ASN A 54 1.161 -1.352 8.501 1.00 0.00 C ATOM 800 CG ASN A 54 1.942 -1.769 9.749 1.00 0.00 C ATOM 801 OD1 ASN A 54 1.613 -2.750 10.384 1.00 0.00 O ATOM 802 ND2 ASN A 54 2.970 -1.059 10.129 1.00 0.00 N ATOM 0 H ASN A 54 2.386 -1.535 6.272 1.00 0.00 H new ATOM 0 HA ASN A 54 1.138 -3.474 8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.676 -0.537 7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.176 -0.980 8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.497 -1.329 10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.246 -0.235 9.595 1.00 0.00 H new ATOM 809 N TYR A 55 -0.429 -2.263 5.631 1.00 0.00 N ATOM 810 CA TYR A 55 -1.753 -2.216 4.950 1.00 0.00 C ATOM 811 C TYR A 55 -2.079 -3.620 4.431 1.00 0.00 C ATOM 812 O TYR A 55 -3.082 -3.842 3.786 1.00 0.00 O ATOM 813 CB TYR A 55 -1.668 -1.251 3.767 1.00 0.00 C ATOM 814 CG TYR A 55 -1.586 0.165 4.299 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.292 0.537 5.454 1.00 0.00 C ATOM 816 CD2 TYR A 55 -0.753 1.094 3.663 1.00 0.00 C ATOM 817 CE1 TYR A 55 -2.159 1.837 5.969 1.00 0.00 C ATOM 818 CE2 TYR A 55 -0.627 2.394 4.173 1.00 0.00 C ATOM 819 CZ TYR A 55 -1.326 2.764 5.328 1.00 0.00 C ATOM 820 OH TYR A 55 -1.195 4.041 5.834 1.00 0.00 O ATOM 0 H TYR A 55 0.376 -2.081 5.032 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.526 -1.881 5.642 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.793 -1.477 3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.541 -1.363 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.937 -0.176 5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.206 0.808 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.699 2.122 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.010 3.110 3.675 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.579 4.555 5.270 1.00 0.00 H new ATOM 830 N CYS A 56 -1.214 -4.565 4.696 1.00 0.00 N ATOM 831 CA CYS A 56 -1.434 -5.953 4.210 1.00 0.00 C ATOM 832 C CYS A 56 -2.415 -6.697 5.111 1.00 0.00 C ATOM 833 O CYS A 56 -3.200 -6.105 5.825 1.00 0.00 O ATOM 834 CB CYS A 56 -0.104 -6.698 4.223 1.00 0.00 C ATOM 835 SG CYS A 56 -0.021 -7.779 2.784 1.00 0.00 S ATOM 0 H CYS A 56 -0.358 -4.429 5.234 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.845 -5.906 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.724 -5.989 4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.009 -7.282 5.138 1.00 0.00 H new ATOM 840 N ASN A 57 -2.363 -8.003 5.074 1.00 0.00 N ATOM 841 CA ASN A 57 -3.280 -8.820 5.918 1.00 0.00 C ATOM 842 C ASN A 57 -3.411 -8.181 7.304 1.00 0.00 C ATOM 843 O ASN A 57 -4.379 -8.480 7.983 1.00 0.00 O ATOM 844 CB ASN A 57 -2.712 -10.235 6.063 1.00 0.00 C ATOM 845 CG ASN A 57 -3.686 -11.094 6.872 1.00 0.00 C ATOM 846 OD1 ASN A 57 -3.764 -10.973 8.077 1.00 0.00 O ATOM 847 ND2 ASN A 57 -4.439 -11.963 6.254 1.00 0.00 N ATOM 848 OXT ASN A 57 -2.541 -7.404 7.659 1.00 0.00 O ATOM 0 H ASN A 57 -1.721 -8.540 4.492 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.261 -8.865 5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.551 -10.677 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.742 -10.200 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.092 -12.540 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.374 -12.065 5.241 1.00 0.00 H new TER 855 ASN A 57