USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 446 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 43 GLN : amide:sc= -3.4! C(o=-7!,f=-6!) USER MOD Set 1.2: A 53 GLN : amide:sc= -3.39! C(o=-7!,f=-14!) USER MOD Set 1.3: A 57 TYR OH : rot 165:sc= -0.176 USER MOD Set 2.1: A 4 GLN : amide:sc= -4.46! C(o=-7.1!,f=-15!) USER MOD Set 2.2: A 10 HIS : no HD1:sc= -2.62! C(o=-7.1!,f=-16!) USER MOD Single : A 1 PHE N :NH3+ 169:sc= 0.934 (180deg=0.518!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 5 HIS : no HE2:sc= -4.23 K(o=-4.2,f=-2.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 137:sc= 0.118 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 34 SER OG : rot 180:sc= -0.135 USER MOD Single : A 37 SER OG : rot 180:sc= -0.347 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.785 X(o=-0.79,f=-0.83!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 3.904 -15.895 13.346 1.00 0.00 N ATOM 2 CA PHE A 1 4.967 -15.729 12.312 1.00 0.00 C ATOM 3 C PHE A 1 6.176 -15.022 12.943 1.00 0.00 C ATOM 4 O PHE A 1 6.073 -14.401 13.983 1.00 0.00 O ATOM 5 CB PHE A 1 4.420 -14.914 11.112 1.00 0.00 C ATOM 6 CG PHE A 1 3.126 -14.230 11.495 1.00 0.00 C ATOM 7 CD1 PHE A 1 1.956 -14.984 11.643 1.00 0.00 C ATOM 8 CD2 PHE A 1 3.098 -12.847 11.698 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.757 -14.355 11.995 1.00 0.00 C ATOM 10 CE2 PHE A 1 1.899 -12.214 12.049 1.00 0.00 C ATOM 11 CZ PHE A 1 0.727 -12.970 12.197 1.00 0.00 C ATOM 0 H1 PHE A 1 3.020 -16.199 12.890 1.00 0.00 H new ATOM 0 H2 PHE A 1 4.202 -16.612 14.038 1.00 0.00 H new ATOM 0 H3 PHE A 1 3.748 -14.989 13.832 1.00 0.00 H new ATOM 0 HA PHE A 1 5.278 -16.707 11.944 1.00 0.00 H new ATOM 0 HB2 PHE A 1 5.155 -14.171 10.802 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.254 -15.573 10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.979 -16.052 11.485 1.00 0.00 H new ATOM 0 HD2 PHE A 1 4.002 -12.266 11.584 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.145 -14.938 12.111 1.00 0.00 H new ATOM 0 HE2 PHE A 1 1.877 -11.146 12.205 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.199 -12.484 12.467 1.00 0.00 H new ATOM 23 N VAL A 2 7.321 -15.125 12.324 1.00 0.00 N ATOM 24 CA VAL A 2 8.540 -14.474 12.886 1.00 0.00 C ATOM 25 C VAL A 2 8.278 -12.986 13.120 1.00 0.00 C ATOM 26 O VAL A 2 7.159 -12.517 13.053 1.00 0.00 O ATOM 27 CB VAL A 2 9.706 -14.635 11.905 1.00 0.00 C ATOM 28 CG1 VAL A 2 10.259 -16.056 11.994 1.00 0.00 C ATOM 29 CG2 VAL A 2 9.213 -14.369 10.482 1.00 0.00 C ATOM 0 H VAL A 2 7.465 -15.633 11.451 1.00 0.00 H new ATOM 0 HA VAL A 2 8.790 -14.948 13.835 1.00 0.00 H new ATOM 0 HB VAL A 2 10.493 -13.924 12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.088 -16.168 11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.610 -16.247 13.008 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.474 -16.769 11.742 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.041 -14.483 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.426 -15.080 10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.820 -13.354 10.417 1.00 0.00 H new ATOM 39 N ASN A 3 9.315 -12.241 13.396 1.00 0.00 N ATOM 40 CA ASN A 3 9.154 -10.777 13.640 1.00 0.00 C ATOM 41 C ASN A 3 9.313 -10.018 12.321 1.00 0.00 C ATOM 42 O ASN A 3 10.340 -10.087 11.674 1.00 0.00 O ATOM 43 CB ASN A 3 10.225 -10.307 14.626 1.00 0.00 C ATOM 44 CG ASN A 3 10.024 -11.007 15.972 1.00 0.00 C ATOM 45 OD1 ASN A 3 8.916 -11.104 16.460 1.00 0.00 O ATOM 46 ND2 ASN A 3 11.057 -11.501 16.598 1.00 0.00 N ATOM 0 H ASN A 3 10.273 -12.585 13.463 1.00 0.00 H new ATOM 0 HA ASN A 3 8.164 -10.584 14.054 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.218 -10.529 14.234 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.167 -9.226 14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.934 -11.968 17.496 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.988 -11.420 16.189 1.00 0.00 H new ATOM 53 N GLN A 4 8.307 -9.292 11.917 1.00 0.00 N ATOM 54 CA GLN A 4 8.403 -8.528 10.641 1.00 0.00 C ATOM 55 C GLN A 4 7.176 -7.624 10.495 1.00 0.00 C ATOM 56 O GLN A 4 6.096 -7.950 10.946 1.00 0.00 O ATOM 57 CB GLN A 4 8.466 -9.502 9.462 1.00 0.00 C ATOM 58 CG GLN A 4 7.284 -10.473 9.528 1.00 0.00 C ATOM 59 CD GLN A 4 7.465 -11.571 8.478 1.00 0.00 C ATOM 60 OE1 GLN A 4 6.547 -11.887 7.748 1.00 0.00 O ATOM 61 NE2 GLN A 4 8.619 -12.171 8.370 1.00 0.00 N ATOM 0 H GLN A 4 7.422 -9.195 12.415 1.00 0.00 H new ATOM 0 HA GLN A 4 9.305 -7.917 10.651 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.444 -8.951 8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.405 -10.055 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.217 -10.914 10.523 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.350 -9.938 9.353 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.391 -11.907 8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.749 -12.904 7.673 1.00 0.00 H new ATOM 70 N HIS A 5 7.334 -6.488 9.869 1.00 0.00 N ATOM 71 CA HIS A 5 6.182 -5.566 9.697 1.00 0.00 C ATOM 72 C HIS A 5 5.196 -6.169 8.696 1.00 0.00 C ATOM 73 O HIS A 5 5.572 -6.887 7.791 1.00 0.00 O ATOM 74 CB HIS A 5 6.683 -4.214 9.185 1.00 0.00 C ATOM 75 CG HIS A 5 7.702 -3.660 10.137 1.00 0.00 C ATOM 76 ND1 HIS A 5 7.588 -2.388 10.673 1.00 0.00 N ATOM 77 CD2 HIS A 5 8.866 -4.183 10.652 1.00 0.00 C ATOM 78 CE1 HIS A 5 8.653 -2.187 11.467 1.00 0.00 C ATOM 79 NE2 HIS A 5 9.457 -3.248 11.487 1.00 0.00 N ATOM 0 H HIS A 5 8.214 -6.161 9.470 1.00 0.00 H new ATOM 0 HA HIS A 5 5.680 -5.422 10.654 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.122 -4.329 8.194 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.849 -3.520 9.085 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.833 -1.725 10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.257 -5.167 10.439 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.834 -1.277 12.020 1.00 0.00 H new ATOM 87 N LEU A 6 3.934 -5.885 8.866 1.00 0.00 N ATOM 88 CA LEU A 6 2.884 -6.434 7.949 1.00 0.00 C ATOM 89 C LEU A 6 2.256 -5.289 7.144 1.00 0.00 C ATOM 90 O LEU A 6 1.613 -4.425 7.700 1.00 0.00 O ATOM 91 CB LEU A 6 1.788 -7.087 8.811 1.00 0.00 C ATOM 92 CG LEU A 6 1.998 -8.606 8.948 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.466 -8.927 9.277 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.102 -9.132 10.072 1.00 0.00 C ATOM 0 H LEU A 6 3.577 -5.287 9.611 1.00 0.00 H new ATOM 0 HA LEU A 6 3.327 -7.160 7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.783 -6.630 9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.812 -6.894 8.366 1.00 0.00 H new ATOM 0 HG LEU A 6 1.742 -9.084 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.591 -10.006 9.369 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.108 -8.554 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.741 -8.448 10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.244 -10.208 10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.365 -8.638 11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.059 -8.925 9.833 1.00 0.00 H new ATOM 106 N CYS A 7 2.410 -5.294 5.843 1.00 0.00 N ATOM 107 CA CYS A 7 1.803 -4.215 5.004 1.00 0.00 C ATOM 108 C CYS A 7 1.003 -4.831 3.856 1.00 0.00 C ATOM 109 O CYS A 7 1.507 -5.611 3.073 1.00 0.00 O ATOM 110 CB CYS A 7 2.920 -3.337 4.448 1.00 0.00 C ATOM 111 SG CYS A 7 3.933 -2.737 5.824 1.00 0.00 S ATOM 0 H CYS A 7 2.931 -6.001 5.325 1.00 0.00 H new ATOM 0 HA CYS A 7 1.128 -3.613 5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.533 -3.905 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.500 -2.497 3.895 1.00 0.00 H new ATOM 116 N GLY A 8 -0.245 -4.466 3.753 1.00 0.00 N ATOM 117 CA GLY A 8 -1.109 -4.997 2.662 1.00 0.00 C ATOM 118 C GLY A 8 -1.265 -6.513 2.779 1.00 0.00 C ATOM 119 O GLY A 8 -1.473 -7.047 3.850 1.00 0.00 O ATOM 0 H GLY A 8 -0.708 -3.814 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.089 -4.522 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.675 -4.746 1.694 1.00 0.00 H new ATOM 123 N SER A 9 -1.187 -7.202 1.670 1.00 0.00 N ATOM 124 CA SER A 9 -1.349 -8.687 1.678 1.00 0.00 C ATOM 125 C SER A 9 -0.617 -9.305 2.872 1.00 0.00 C ATOM 126 O SER A 9 -1.072 -10.269 3.453 1.00 0.00 O ATOM 127 CB SER A 9 -0.780 -9.264 0.382 1.00 0.00 C ATOM 128 OG SER A 9 -1.238 -8.488 -0.718 1.00 0.00 O ATOM 0 H SER A 9 -1.016 -6.795 0.750 1.00 0.00 H new ATOM 0 HA SER A 9 -2.410 -8.923 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.309 -9.260 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.092 -10.302 0.265 1.00 0.00 H new ATOM 0 HG SER A 9 -0.874 -8.854 -1.551 1.00 0.00 H new ATOM 134 N HIS A 10 0.507 -8.765 3.250 1.00 0.00 N ATOM 135 CA HIS A 10 1.241 -9.344 4.407 1.00 0.00 C ATOM 136 C HIS A 10 0.338 -9.292 5.640 1.00 0.00 C ATOM 137 O HIS A 10 0.348 -10.181 6.468 1.00 0.00 O ATOM 138 CB HIS A 10 2.518 -8.539 4.661 1.00 0.00 C ATOM 139 CG HIS A 10 3.481 -9.350 5.485 1.00 0.00 C ATOM 140 ND1 HIS A 10 3.136 -10.581 6.028 1.00 0.00 N ATOM 141 CD2 HIS A 10 4.781 -9.122 5.866 1.00 0.00 C ATOM 142 CE1 HIS A 10 4.208 -11.043 6.698 1.00 0.00 C ATOM 143 NE2 HIS A 10 5.232 -10.192 6.628 1.00 0.00 N ATOM 0 H HIS A 10 0.946 -7.955 2.812 1.00 0.00 H new ATOM 0 HA HIS A 10 1.513 -10.378 4.195 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.980 -8.264 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.276 -7.611 5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.362 -8.247 5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.235 -11.985 7.226 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.155 -10.304 7.047 1.00 0.00 H new ATOM 151 N LEU A 11 -0.449 -8.259 5.763 1.00 0.00 N ATOM 152 CA LEU A 11 -1.357 -8.154 6.936 1.00 0.00 C ATOM 153 C LEU A 11 -2.461 -9.189 6.780 1.00 0.00 C ATOM 154 O LEU A 11 -2.729 -9.971 7.670 1.00 0.00 O ATOM 155 CB LEU A 11 -1.942 -6.731 6.995 1.00 0.00 C ATOM 156 CG LEU A 11 -2.842 -6.519 8.229 1.00 0.00 C ATOM 157 CD1 LEU A 11 -2.216 -7.121 9.504 1.00 0.00 C ATOM 158 CD2 LEU A 11 -3.084 -5.010 8.444 1.00 0.00 C ATOM 0 H LEU A 11 -0.502 -7.484 5.102 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.818 -8.343 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.128 -6.006 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.519 -6.540 6.090 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.787 -7.030 8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.881 -6.951 10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.070 -8.192 9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.254 -6.646 9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.720 -4.864 9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.130 -4.507 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.573 -4.591 7.565 1.00 0.00 H new ATOM 170 N VAL A 12 -3.081 -9.218 5.643 1.00 0.00 N ATOM 171 CA VAL A 12 -4.146 -10.223 5.404 1.00 0.00 C ATOM 172 C VAL A 12 -3.541 -11.611 5.556 1.00 0.00 C ATOM 173 O VAL A 12 -3.938 -12.391 6.398 1.00 0.00 O ATOM 174 CB VAL A 12 -4.678 -10.045 3.976 1.00 0.00 C ATOM 175 CG1 VAL A 12 -5.474 -11.296 3.504 1.00 0.00 C ATOM 176 CG2 VAL A 12 -5.563 -8.799 3.947 1.00 0.00 C ATOM 0 H VAL A 12 -2.897 -8.587 4.863 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.962 -10.097 6.115 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.839 -9.927 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.836 -11.135 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.823 -12.170 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.321 -11.460 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.953 -8.653 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.393 -8.926 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.975 -7.928 4.238 1.00 0.00 H new ATOM 186 N GLU A 13 -2.584 -11.920 4.731 1.00 0.00 N ATOM 187 CA GLU A 13 -1.937 -13.256 4.797 1.00 0.00 C ATOM 188 C GLU A 13 -1.647 -13.624 6.248 1.00 0.00 C ATOM 189 O GLU A 13 -1.640 -14.778 6.604 1.00 0.00 O ATOM 190 CB GLU A 13 -0.629 -13.229 4.004 1.00 0.00 C ATOM 191 CG GLU A 13 -0.942 -13.019 2.521 1.00 0.00 C ATOM 192 CD GLU A 13 0.317 -12.550 1.788 1.00 0.00 C ATOM 193 OE1 GLU A 13 0.216 -12.248 0.611 1.00 0.00 O ATOM 194 OE2 GLU A 13 1.361 -12.500 2.418 1.00 0.00 O ATOM 0 H GLU A 13 -2.219 -11.299 4.008 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.609 -14.000 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.015 -12.428 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.086 -14.164 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.305 -13.948 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.736 -12.281 2.408 1.00 0.00 H new ATOM 201 N ALA A 14 -1.407 -12.654 7.092 1.00 0.00 N ATOM 202 CA ALA A 14 -1.119 -12.970 8.519 1.00 0.00 C ATOM 203 C ALA A 14 -2.435 -13.110 9.296 1.00 0.00 C ATOM 204 O ALA A 14 -2.726 -14.152 9.848 1.00 0.00 O ATOM 205 CB ALA A 14 -0.279 -11.833 9.106 1.00 0.00 C ATOM 0 H ALA A 14 -1.398 -11.662 6.855 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.572 -13.910 8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.058 -12.047 10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.653 -11.744 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.834 -10.897 9.036 1.00 0.00 H new ATOM 211 N LEU A 15 -3.230 -12.073 9.349 1.00 0.00 N ATOM 212 CA LEU A 15 -4.520 -12.160 10.101 1.00 0.00 C ATOM 213 C LEU A 15 -5.248 -13.451 9.722 1.00 0.00 C ATOM 214 O LEU A 15 -5.892 -14.078 10.540 1.00 0.00 O ATOM 215 CB LEU A 15 -5.416 -10.966 9.744 1.00 0.00 C ATOM 216 CG LEU A 15 -4.938 -9.695 10.480 1.00 0.00 C ATOM 217 CD1 LEU A 15 -5.352 -8.438 9.699 1.00 0.00 C ATOM 218 CD2 LEU A 15 -5.572 -9.635 11.879 1.00 0.00 C ATOM 0 H LEU A 15 -3.044 -11.173 8.907 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.306 -12.151 11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.398 -10.799 8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.449 -11.184 10.015 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.852 -9.732 10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.008 -7.550 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.904 -8.463 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.438 -8.408 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.232 -8.737 12.394 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.658 -9.611 11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.277 -10.515 12.450 1.00 0.00 H new ATOM 230 N TYR A 16 -5.156 -13.842 8.485 1.00 0.00 N ATOM 231 CA TYR A 16 -5.845 -15.080 8.042 1.00 0.00 C ATOM 232 C TYR A 16 -5.465 -16.230 8.990 1.00 0.00 C ATOM 233 O TYR A 16 -6.293 -17.037 9.365 1.00 0.00 O ATOM 234 CB TYR A 16 -5.412 -15.369 6.590 1.00 0.00 C ATOM 235 CG TYR A 16 -5.444 -16.856 6.291 1.00 0.00 C ATOM 236 CD1 TYR A 16 -4.323 -17.482 5.730 1.00 0.00 C ATOM 237 CD2 TYR A 16 -6.590 -17.606 6.583 1.00 0.00 C ATOM 238 CE1 TYR A 16 -4.347 -18.854 5.462 1.00 0.00 C ATOM 239 CE2 TYR A 16 -6.614 -18.980 6.313 1.00 0.00 C ATOM 240 CZ TYR A 16 -5.493 -19.604 5.753 1.00 0.00 C ATOM 241 OH TYR A 16 -5.516 -20.959 5.488 1.00 0.00 O ATOM 0 H TYR A 16 -4.631 -13.355 7.759 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.929 -14.970 8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.072 -14.843 5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.406 -14.984 6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.439 -16.904 5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.455 -17.125 7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.482 -19.335 5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.498 -19.559 6.537 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.385 -21.329 5.750 1.00 0.00 H new ATOM 251 N LEU A 17 -4.223 -16.304 9.382 1.00 0.00 N ATOM 252 CA LEU A 17 -3.792 -17.391 10.307 1.00 0.00 C ATOM 253 C LEU A 17 -4.218 -17.032 11.728 1.00 0.00 C ATOM 254 O LEU A 17 -4.831 -17.814 12.427 1.00 0.00 O ATOM 255 CB LEU A 17 -2.264 -17.527 10.273 1.00 0.00 C ATOM 256 CG LEU A 17 -1.799 -18.138 8.936 1.00 0.00 C ATOM 257 CD1 LEU A 17 -1.679 -17.045 7.875 1.00 0.00 C ATOM 258 CD2 LEU A 17 -0.425 -18.788 9.121 1.00 0.00 C ATOM 0 H LEU A 17 -3.486 -15.657 9.101 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.251 -18.330 9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.804 -16.548 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.932 -18.154 11.100 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.529 -18.882 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.350 -17.486 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.649 -16.568 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.953 -16.300 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.097 -19.220 8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.293 -18.035 9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.492 -19.573 9.874 1.00 0.00 H new ATOM 270 N VAL A 18 -3.891 -15.847 12.153 1.00 0.00 N ATOM 271 CA VAL A 18 -4.264 -15.409 13.527 1.00 0.00 C ATOM 272 C VAL A 18 -5.753 -15.681 13.758 1.00 0.00 C ATOM 273 O VAL A 18 -6.142 -16.312 14.721 1.00 0.00 O ATOM 274 CB VAL A 18 -4.005 -13.905 13.653 1.00 0.00 C ATOM 275 CG1 VAL A 18 -4.193 -13.460 15.097 1.00 0.00 C ATOM 276 CG2 VAL A 18 -2.575 -13.583 13.207 1.00 0.00 C ATOM 0 H VAL A 18 -3.378 -15.157 11.605 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.673 -15.954 14.263 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.714 -13.374 13.017 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.006 -12.389 15.175 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.214 -13.674 15.414 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.494 -13.998 15.737 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.398 -12.511 13.299 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.867 -14.123 13.836 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.441 -13.885 12.168 1.00 0.00 H new ATOM 286 N CYS A 19 -6.583 -15.194 12.881 1.00 0.00 N ATOM 287 CA CYS A 19 -8.052 -15.393 13.027 1.00 0.00 C ATOM 288 C CYS A 19 -8.452 -16.796 12.572 1.00 0.00 C ATOM 289 O CYS A 19 -9.487 -17.306 12.951 1.00 0.00 O ATOM 290 CB CYS A 19 -8.757 -14.358 12.155 1.00 0.00 C ATOM 291 SG CYS A 19 -7.892 -12.790 12.340 1.00 0.00 S ATOM 0 H CYS A 19 -6.303 -14.660 12.058 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.336 -15.278 14.073 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.754 -14.674 11.112 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.800 -14.255 12.454 1.00 0.00 H new ATOM 296 N GLY A 20 -7.656 -17.422 11.754 1.00 0.00 N ATOM 297 CA GLY A 20 -8.024 -18.782 11.277 1.00 0.00 C ATOM 298 C GLY A 20 -9.434 -18.728 10.686 1.00 0.00 C ATOM 299 O GLY A 20 -9.670 -18.086 9.682 1.00 0.00 O ATOM 0 H GLY A 20 -6.774 -17.055 11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.312 -19.125 10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.986 -19.495 12.101 1.00 0.00 H new ATOM 303 N GLU A 21 -10.376 -19.390 11.302 1.00 0.00 N ATOM 304 CA GLU A 21 -11.773 -19.367 10.774 1.00 0.00 C ATOM 305 C GLU A 21 -12.512 -18.136 11.304 1.00 0.00 C ATOM 306 O GLU A 21 -13.465 -17.673 10.710 1.00 0.00 O ATOM 307 CB GLU A 21 -12.511 -20.634 11.217 1.00 0.00 C ATOM 308 CG GLU A 21 -11.624 -21.860 10.980 1.00 0.00 C ATOM 309 CD GLU A 21 -10.557 -21.945 12.074 1.00 0.00 C ATOM 310 OE1 GLU A 21 -9.427 -21.576 11.802 1.00 0.00 O ATOM 311 OE2 GLU A 21 -10.890 -22.377 13.166 1.00 0.00 O ATOM 0 H GLU A 21 -10.240 -19.945 12.147 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.741 -19.325 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.774 -20.563 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.444 -20.736 10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.231 -22.765 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.150 -21.794 10.001 1.00 0.00 H new ATOM 318 N ARG A 22 -12.088 -17.602 12.416 1.00 0.00 N ATOM 319 CA ARG A 22 -12.781 -16.405 12.971 1.00 0.00 C ATOM 320 C ARG A 22 -12.829 -15.309 11.907 1.00 0.00 C ATOM 321 O ARG A 22 -13.808 -14.601 11.775 1.00 0.00 O ATOM 322 CB ARG A 22 -12.016 -15.886 14.195 1.00 0.00 C ATOM 323 CG ARG A 22 -12.145 -16.880 15.366 1.00 0.00 C ATOM 324 CD ARG A 22 -13.431 -16.603 16.156 1.00 0.00 C ATOM 325 NE ARG A 22 -13.490 -17.503 17.342 1.00 0.00 N ATOM 326 CZ ARG A 22 -14.324 -17.247 18.312 1.00 0.00 C ATOM 327 NH1 ARG A 22 -14.381 -18.036 19.350 1.00 0.00 N ATOM 328 NH2 ARG A 22 -15.102 -16.201 18.243 1.00 0.00 N ATOM 0 H ARG A 22 -11.296 -17.940 12.962 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.794 -16.679 13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.965 -15.745 13.943 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.406 -14.912 14.491 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.156 -17.902 14.986 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.280 -16.793 16.023 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.457 -15.561 16.475 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.302 -16.763 15.521 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.879 -18.318 17.395 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.773 -18.853 19.403 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.033 -17.835 20.108 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.057 -15.585 17.431 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.754 -16.000 19.001 1.00 0.00 H new ATOM 342 N GLY A 23 -11.782 -15.165 11.144 1.00 0.00 N ATOM 343 CA GLY A 23 -11.773 -14.116 10.086 1.00 0.00 C ATOM 344 C GLY A 23 -11.595 -12.735 10.727 1.00 0.00 C ATOM 345 O GLY A 23 -11.793 -12.560 11.910 1.00 0.00 O ATOM 0 H GLY A 23 -10.933 -15.727 11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.965 -14.306 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.705 -14.148 9.521 1.00 0.00 H new ATOM 349 N PHE A 24 -11.235 -11.753 9.942 1.00 0.00 N ATOM 350 CA PHE A 24 -11.049 -10.363 10.469 1.00 0.00 C ATOM 351 C PHE A 24 -11.651 -9.394 9.454 1.00 0.00 C ATOM 352 O PHE A 24 -12.052 -9.795 8.379 1.00 0.00 O ATOM 353 CB PHE A 24 -9.563 -10.055 10.629 1.00 0.00 C ATOM 354 CG PHE A 24 -8.861 -10.305 9.320 1.00 0.00 C ATOM 355 CD1 PHE A 24 -8.670 -11.619 8.868 1.00 0.00 C ATOM 356 CD2 PHE A 24 -8.407 -9.226 8.555 1.00 0.00 C ATOM 357 CE1 PHE A 24 -8.026 -11.851 7.650 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.759 -9.460 7.336 1.00 0.00 C ATOM 359 CZ PHE A 24 -7.572 -10.772 6.887 1.00 0.00 C ATOM 0 H PHE A 24 -11.059 -11.855 8.942 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.534 -10.266 11.440 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.425 -9.018 10.937 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.132 -10.680 11.411 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.020 -12.451 9.461 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.556 -8.215 8.904 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.879 -12.862 7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.404 -8.630 6.744 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.074 -10.952 5.946 1.00 0.00 H new ATOM 369 N PHE A 25 -11.723 -8.128 9.777 1.00 0.00 N ATOM 370 CA PHE A 25 -12.306 -7.135 8.828 1.00 0.00 C ATOM 371 C PHE A 25 -11.200 -6.194 8.325 1.00 0.00 C ATOM 372 O PHE A 25 -10.539 -5.532 9.100 1.00 0.00 O ATOM 373 CB PHE A 25 -13.385 -6.344 9.574 1.00 0.00 C ATOM 374 CG PHE A 25 -12.740 -5.322 10.483 1.00 0.00 C ATOM 375 CD1 PHE A 25 -12.706 -3.984 10.097 1.00 0.00 C ATOM 376 CD2 PHE A 25 -12.170 -5.716 11.696 1.00 0.00 C ATOM 377 CE1 PHE A 25 -12.102 -3.028 10.922 1.00 0.00 C ATOM 378 CE2 PHE A 25 -11.567 -4.763 12.524 1.00 0.00 C ATOM 379 CZ PHE A 25 -11.532 -3.419 12.137 1.00 0.00 C ATOM 0 H PHE A 25 -11.401 -7.738 10.663 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.746 -7.637 7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.041 -5.846 8.860 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -14.006 -7.022 10.159 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.147 -3.683 9.158 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.195 -6.754 11.994 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.076 -1.991 10.621 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.128 -5.065 13.463 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.065 -2.684 12.776 1.00 0.00 H new ATOM 389 N TYR A 26 -11.001 -6.121 7.034 1.00 0.00 N ATOM 390 CA TYR A 26 -9.946 -5.210 6.487 1.00 0.00 C ATOM 391 C TYR A 26 -10.605 -3.883 6.104 1.00 0.00 C ATOM 392 O TYR A 26 -11.815 -3.770 6.075 1.00 0.00 O ATOM 393 CB TYR A 26 -9.294 -5.849 5.246 1.00 0.00 C ATOM 394 CG TYR A 26 -7.882 -5.321 5.071 1.00 0.00 C ATOM 395 CD1 TYR A 26 -6.884 -5.701 5.975 1.00 0.00 C ATOM 396 CD2 TYR A 26 -7.568 -4.465 4.006 1.00 0.00 C ATOM 397 CE1 TYR A 26 -5.577 -5.232 5.821 1.00 0.00 C ATOM 398 CE2 TYR A 26 -6.256 -3.990 3.854 1.00 0.00 C ATOM 399 CZ TYR A 26 -5.262 -4.375 4.761 1.00 0.00 C ATOM 400 OH TYR A 26 -3.972 -3.911 4.608 1.00 0.00 O ATOM 0 H TYR A 26 -11.521 -6.651 6.335 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.173 -5.041 7.237 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.275 -6.934 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.887 -5.627 4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.125 -6.360 6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.334 -4.172 3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.810 -5.531 6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.013 -3.327 3.037 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.925 -3.328 3.822 1.00 0.00 H new ATOM 410 N THR A 27 -9.831 -2.879 5.812 1.00 0.00 N ATOM 411 CA THR A 27 -10.438 -1.574 5.437 1.00 0.00 C ATOM 412 C THR A 27 -11.187 -1.733 4.093 1.00 0.00 C ATOM 413 O THR A 27 -10.700 -2.425 3.221 1.00 0.00 O ATOM 414 CB THR A 27 -9.331 -0.527 5.280 1.00 0.00 C ATOM 415 OG1 THR A 27 -9.880 0.660 4.725 1.00 0.00 O ATOM 416 CG2 THR A 27 -8.239 -1.067 4.354 1.00 0.00 C ATOM 0 H THR A 27 -8.811 -2.904 5.816 1.00 0.00 H new ATOM 0 HA THR A 27 -11.135 -1.254 6.212 1.00 0.00 H new ATOM 0 HB THR A 27 -8.899 -0.307 6.256 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.517 1.439 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.453 -0.320 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.818 -1.977 4.781 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.668 -1.289 3.377 1.00 0.00 H new ATOM 424 N PRO A 28 -12.337 -1.091 3.931 1.00 0.00 N ATOM 425 CA PRO A 28 -13.093 -1.184 2.668 1.00 0.00 C ATOM 426 C PRO A 28 -12.365 -0.337 1.620 1.00 0.00 C ATOM 427 O PRO A 28 -12.377 -0.629 0.440 1.00 0.00 O ATOM 428 CB PRO A 28 -14.470 -0.592 3.006 1.00 0.00 C ATOM 429 CG PRO A 28 -14.263 0.281 4.268 1.00 0.00 C ATOM 430 CD PRO A 28 -12.977 -0.234 4.951 1.00 0.00 C ATOM 0 HA PRO A 28 -13.186 -2.195 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.852 0.005 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.198 -1.381 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.165 1.333 4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.118 0.201 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.326 0.589 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.206 -0.797 5.856 1.00 0.00 H new ATOM 438 N ARG A 29 -11.711 0.707 2.066 1.00 0.00 N ATOM 439 CA ARG A 29 -10.946 1.591 1.137 1.00 0.00 C ATOM 440 C ARG A 29 -9.638 2.006 1.815 1.00 0.00 C ATOM 441 O ARG A 29 -8.610 1.390 1.618 1.00 0.00 O ATOM 442 CB ARG A 29 -11.767 2.848 0.790 1.00 0.00 C ATOM 443 CG ARG A 29 -12.508 3.395 2.043 1.00 0.00 C ATOM 444 CD ARG A 29 -14.015 3.143 1.915 1.00 0.00 C ATOM 445 NE ARG A 29 -14.555 3.841 0.698 1.00 0.00 N ATOM 446 CZ ARG A 29 -14.461 5.136 0.542 1.00 0.00 C ATOM 447 NH1 ARG A 29 -14.843 5.680 -0.581 1.00 0.00 N ATOM 448 NH2 ARG A 29 -14.036 5.895 1.515 1.00 0.00 N ATOM 0 H ARG A 29 -11.675 0.986 3.046 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.737 1.048 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.108 3.618 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.491 2.610 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.125 2.911 2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.318 4.463 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.208 2.072 1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.528 3.502 2.807 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.009 3.287 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.212 5.096 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.772 6.689 -0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.773 5.479 2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.967 6.904 1.382 1.00 0.00 H new ATOM 462 N THR A 30 -9.658 3.056 2.604 1.00 0.00 N ATOM 463 CA THR A 30 -8.402 3.512 3.273 1.00 0.00 C ATOM 464 C THR A 30 -8.693 4.165 4.625 1.00 0.00 C ATOM 465 O THR A 30 -9.332 3.593 5.479 1.00 0.00 O ATOM 466 CB THR A 30 -7.718 4.538 2.375 1.00 0.00 C ATOM 467 OG1 THR A 30 -8.588 5.647 2.189 1.00 0.00 O ATOM 468 CG2 THR A 30 -7.401 3.910 1.023 1.00 0.00 C ATOM 0 H THR A 30 -10.487 3.613 2.811 1.00 0.00 H new ATOM 0 HA THR A 30 -7.765 2.643 3.440 1.00 0.00 H new ATOM 0 HB THR A 30 -6.791 4.869 2.842 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.153 6.311 1.614 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.913 4.647 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.738 3.056 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.325 3.577 0.551 1.00 0.00 H new ATOM 476 N GLU A 31 -8.211 5.367 4.826 1.00 0.00 N ATOM 477 CA GLU A 31 -8.443 6.071 6.119 1.00 0.00 C ATOM 478 C GLU A 31 -9.920 6.019 6.468 1.00 0.00 C ATOM 479 O GLU A 31 -10.302 6.366 7.561 1.00 0.00 O ATOM 480 CB GLU A 31 -7.999 7.530 5.996 1.00 0.00 C ATOM 481 CG GLU A 31 -6.566 7.585 5.463 1.00 0.00 C ATOM 482 CD GLU A 31 -6.061 9.029 5.505 1.00 0.00 C ATOM 483 OE1 GLU A 31 -6.374 9.773 4.591 1.00 0.00 O ATOM 484 OE2 GLU A 31 -5.369 9.365 6.452 1.00 0.00 O ATOM 0 H GLU A 31 -7.664 5.891 4.143 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.867 5.582 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.668 8.069 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.056 8.022 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.919 6.945 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.532 7.206 4.442 1.00 0.00 H new ATOM 491 N GLU A 32 -10.736 5.568 5.549 1.00 0.00 N ATOM 492 CA GLU A 32 -12.199 5.462 5.803 1.00 0.00 C ATOM 493 C GLU A 32 -12.749 6.813 6.273 1.00 0.00 C ATOM 494 O GLU A 32 -13.447 7.499 5.554 1.00 0.00 O ATOM 495 CB GLU A 32 -12.435 4.403 6.883 1.00 0.00 C ATOM 496 CG GLU A 32 -12.312 2.978 6.305 1.00 0.00 C ATOM 497 CD GLU A 32 -13.100 2.004 7.191 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.505 1.047 7.659 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.282 2.234 7.385 1.00 0.00 O ATOM 0 H GLU A 32 -10.442 5.265 4.620 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.712 5.177 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.713 4.535 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.426 4.538 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.696 2.952 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.264 2.680 6.259 1.00 0.00 H new ATOM 506 N GLY A 33 -12.433 7.191 7.473 1.00 0.00 N ATOM 507 CA GLY A 33 -12.922 8.490 8.013 1.00 0.00 C ATOM 508 C GLY A 33 -12.117 8.850 9.258 1.00 0.00 C ATOM 509 O GLY A 33 -11.277 9.729 9.239 1.00 0.00 O ATOM 0 H GLY A 33 -11.850 6.652 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.820 9.272 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.982 8.420 8.258 1.00 0.00 H new ATOM 513 N SER A 34 -12.364 8.170 10.340 1.00 0.00 N ATOM 514 CA SER A 34 -11.616 8.455 11.598 1.00 0.00 C ATOM 515 C SER A 34 -10.302 7.668 11.597 1.00 0.00 C ATOM 516 O SER A 34 -9.526 7.740 10.665 1.00 0.00 O ATOM 517 CB SER A 34 -12.465 8.033 12.799 1.00 0.00 C ATOM 518 OG SER A 34 -11.741 8.285 13.997 1.00 0.00 O ATOM 0 H SER A 34 -13.056 7.424 10.410 1.00 0.00 H new ATOM 0 HA SER A 34 -11.400 9.521 11.663 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.405 8.584 12.806 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.716 6.975 12.728 1.00 0.00 H new ATOM 0 HG SER A 34 -12.282 8.018 14.769 1.00 0.00 H new ATOM 524 N ARG A 35 -10.046 6.915 12.636 1.00 0.00 N ATOM 525 CA ARG A 35 -8.781 6.119 12.701 1.00 0.00 C ATOM 526 C ARG A 35 -9.043 4.701 12.188 1.00 0.00 C ATOM 527 O ARG A 35 -9.095 4.456 11.000 1.00 0.00 O ATOM 528 CB ARG A 35 -8.302 6.057 14.159 1.00 0.00 C ATOM 529 CG ARG A 35 -9.513 5.977 15.094 1.00 0.00 C ATOM 530 CD ARG A 35 -9.041 5.695 16.521 1.00 0.00 C ATOM 531 NE ARG A 35 -8.172 6.812 16.988 1.00 0.00 N ATOM 532 CZ ARG A 35 -7.901 6.940 18.258 1.00 0.00 C ATOM 533 NH1 ARG A 35 -7.139 7.917 18.667 1.00 0.00 N ATOM 534 NH2 ARG A 35 -8.392 6.091 19.119 1.00 0.00 N ATOM 0 H ARG A 35 -10.660 6.816 13.445 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.017 6.590 12.083 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.659 5.189 14.305 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.706 6.938 14.394 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.072 6.912 15.063 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.190 5.190 14.762 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.899 5.586 17.184 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.491 4.754 16.554 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.789 7.476 16.315 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.755 8.581 17.994 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.927 8.017 19.660 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.988 5.327 18.799 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.180 6.191 20.112 1.00 0.00 H new ATOM 548 N ARG A 36 -9.214 3.772 13.088 1.00 0.00 N ATOM 549 CA ARG A 36 -9.484 2.362 12.690 1.00 0.00 C ATOM 550 C ARG A 36 -8.418 1.865 11.712 1.00 0.00 C ATOM 551 O ARG A 36 -7.470 1.208 12.093 1.00 0.00 O ATOM 552 CB ARG A 36 -10.862 2.285 12.029 1.00 0.00 C ATOM 553 CG ARG A 36 -11.956 2.668 13.045 1.00 0.00 C ATOM 554 CD ARG A 36 -12.393 1.432 13.858 1.00 0.00 C ATOM 555 NE ARG A 36 -12.934 1.859 15.194 1.00 0.00 N ATOM 556 CZ ARG A 36 -12.207 2.524 16.053 1.00 0.00 C ATOM 557 NH1 ARG A 36 -12.745 2.955 17.161 1.00 0.00 N ATOM 558 NH2 ARG A 36 -10.937 2.726 15.828 1.00 0.00 N ATOM 0 H ARG A 36 -9.178 3.932 14.095 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.459 1.731 13.578 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.901 2.955 11.170 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.039 1.277 11.654 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.582 3.440 13.718 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.815 3.089 12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.154 0.876 13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.546 0.760 13.997 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.896 1.623 15.437 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.730 2.773 17.354 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.181 3.474 17.834 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.506 2.364 14.977 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.376 3.246 16.503 1.00 0.00 H new ATOM 572 N SER A 37 -8.580 2.160 10.454 1.00 0.00 N ATOM 573 CA SER A 37 -7.592 1.697 9.432 1.00 0.00 C ATOM 574 C SER A 37 -6.161 1.911 9.943 1.00 0.00 C ATOM 575 O SER A 37 -5.407 0.972 10.104 1.00 0.00 O ATOM 576 CB SER A 37 -7.813 2.480 8.124 1.00 0.00 C ATOM 577 OG SER A 37 -6.599 3.102 7.717 1.00 0.00 O ATOM 0 H SER A 37 -9.358 2.705 10.084 1.00 0.00 H new ATOM 0 HA SER A 37 -7.735 0.633 9.246 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.166 1.807 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.587 3.234 8.268 1.00 0.00 H new ATOM 0 HG SER A 37 -6.748 3.596 6.884 1.00 0.00 H new ATOM 583 N ARG A 38 -5.777 3.133 10.194 1.00 0.00 N ATOM 584 CA ARG A 38 -4.393 3.384 10.686 1.00 0.00 C ATOM 585 C ARG A 38 -4.181 2.631 12.000 1.00 0.00 C ATOM 586 O ARG A 38 -3.082 2.532 12.503 1.00 0.00 O ATOM 587 CB ARG A 38 -4.191 4.883 10.917 1.00 0.00 C ATOM 588 CG ARG A 38 -5.333 5.424 11.777 1.00 0.00 C ATOM 589 CD ARG A 38 -5.080 6.899 12.093 1.00 0.00 C ATOM 590 NE ARG A 38 -3.774 7.040 12.796 1.00 0.00 N ATOM 591 CZ ARG A 38 -3.212 8.213 12.901 1.00 0.00 C ATOM 592 NH1 ARG A 38 -2.070 8.336 13.520 1.00 0.00 N ATOM 593 NH2 ARG A 38 -3.793 9.262 12.387 1.00 0.00 N ATOM 0 H ARG A 38 -6.358 3.964 10.080 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.675 3.036 9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.235 5.060 11.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.160 5.408 9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.282 5.311 11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.409 4.851 12.701 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.075 7.483 11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.884 7.292 12.715 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.319 6.219 13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.617 7.515 13.922 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.631 9.253 13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.686 9.165 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.354 10.179 12.469 1.00 0.00 H new ATOM 607 N GLY A 39 -5.227 2.094 12.559 1.00 0.00 N ATOM 608 CA GLY A 39 -5.080 1.342 13.836 1.00 0.00 C ATOM 609 C GLY A 39 -4.619 -0.085 13.534 1.00 0.00 C ATOM 610 O GLY A 39 -3.893 -0.686 14.300 1.00 0.00 O ATOM 0 H GLY A 39 -6.176 2.142 12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.358 1.840 14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.029 1.324 14.372 1.00 0.00 H new ATOM 614 N ILE A 40 -5.052 -0.637 12.426 1.00 0.00 N ATOM 615 CA ILE A 40 -4.662 -2.037 12.062 1.00 0.00 C ATOM 616 C ILE A 40 -3.520 -2.015 11.018 1.00 0.00 C ATOM 617 O ILE A 40 -2.514 -2.677 11.183 1.00 0.00 O ATOM 618 CB ILE A 40 -5.932 -2.760 11.526 1.00 0.00 C ATOM 619 CG1 ILE A 40 -5.938 -4.295 11.829 1.00 0.00 C ATOM 620 CG2 ILE A 40 -6.112 -2.526 10.020 1.00 0.00 C ATOM 621 CD1 ILE A 40 -4.527 -4.921 11.872 1.00 0.00 C ATOM 0 H ILE A 40 -5.663 -0.175 11.753 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.284 -2.578 12.929 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.773 -2.320 12.062 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.432 -4.466 12.785 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.530 -4.805 11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.007 -3.044 9.676 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.214 -1.458 9.827 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.243 -2.910 9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.608 -5.987 12.087 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.037 -4.781 10.908 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.938 -4.438 12.651 1.00 0.00 H new ATOM 633 N VAL A 41 -3.668 -1.287 9.936 1.00 0.00 N ATOM 634 CA VAL A 41 -2.588 -1.285 8.896 1.00 0.00 C ATOM 635 C VAL A 41 -1.324 -0.578 9.399 1.00 0.00 C ATOM 636 O VAL A 41 -0.285 -1.187 9.533 1.00 0.00 O ATOM 637 CB VAL A 41 -3.079 -0.572 7.625 1.00 0.00 C ATOM 638 CG1 VAL A 41 -2.180 -0.959 6.445 1.00 0.00 C ATOM 639 CG2 VAL A 41 -4.523 -0.983 7.316 1.00 0.00 C ATOM 0 H VAL A 41 -4.477 -0.702 9.729 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.346 -2.325 8.676 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.039 0.506 7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.526 -0.455 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.153 -0.660 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.220 -2.038 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.861 -0.473 6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.569 -2.061 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.166 -0.708 8.152 1.00 0.00 H new ATOM 649 N GLU A 42 -1.388 0.700 9.655 1.00 0.00 N ATOM 650 CA GLU A 42 -0.165 1.425 10.115 1.00 0.00 C ATOM 651 C GLU A 42 0.390 0.787 11.391 1.00 0.00 C ATOM 652 O GLU A 42 1.567 0.510 11.492 1.00 0.00 O ATOM 653 CB GLU A 42 -0.500 2.894 10.378 1.00 0.00 C ATOM 654 CG GLU A 42 -0.978 3.548 9.080 1.00 0.00 C ATOM 655 CD GLU A 42 0.200 3.684 8.113 1.00 0.00 C ATOM 656 OE1 GLU A 42 -0.042 3.728 6.918 1.00 0.00 O ATOM 657 OE2 GLU A 42 1.324 3.743 8.584 1.00 0.00 O ATOM 0 H GLU A 42 -2.228 1.272 9.567 1.00 0.00 H new ATOM 0 HA GLU A 42 0.591 1.359 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.273 2.971 11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.378 3.416 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.767 2.948 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.405 4.529 9.290 1.00 0.00 H new ATOM 664 N GLN A 43 -0.437 0.555 12.370 1.00 0.00 N ATOM 665 CA GLN A 43 0.065 -0.058 13.634 1.00 0.00 C ATOM 666 C GLN A 43 0.947 -1.271 13.310 1.00 0.00 C ATOM 667 O GLN A 43 2.060 -1.384 13.783 1.00 0.00 O ATOM 668 CB GLN A 43 -1.125 -0.501 14.489 1.00 0.00 C ATOM 669 CG GLN A 43 -0.630 -0.982 15.856 1.00 0.00 C ATOM 670 CD GLN A 43 -1.807 -1.042 16.832 1.00 0.00 C ATOM 671 OE1 GLN A 43 -1.780 -0.418 17.874 1.00 0.00 O ATOM 672 NE2 GLN A 43 -2.847 -1.773 16.537 1.00 0.00 N ATOM 0 H GLN A 43 -1.436 0.762 12.352 1.00 0.00 H new ATOM 0 HA GLN A 43 0.656 0.676 14.182 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.822 0.327 14.615 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.668 -1.301 13.986 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.170 -1.966 15.763 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.137 -0.307 16.235 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.870 -2.297 15.662 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.636 -1.820 17.181 1.00 0.00 H new ATOM 681 N CYS A 44 0.454 -2.180 12.514 1.00 0.00 N ATOM 682 CA CYS A 44 1.251 -3.388 12.164 1.00 0.00 C ATOM 683 C CYS A 44 2.256 -3.053 11.051 1.00 0.00 C ATOM 684 O CYS A 44 3.436 -3.312 11.165 1.00 0.00 O ATOM 685 CB CYS A 44 0.283 -4.481 11.710 1.00 0.00 C ATOM 686 SG CYS A 44 -0.700 -5.017 13.131 1.00 0.00 S ATOM 0 H CYS A 44 -0.472 -2.137 12.089 1.00 0.00 H new ATOM 0 HA CYS A 44 1.817 -3.734 13.029 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.368 -4.104 10.921 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.834 -5.324 11.293 1.00 0.00 H new ATOM 691 N CYS A 45 1.802 -2.480 9.979 1.00 0.00 N ATOM 692 CA CYS A 45 2.731 -2.121 8.866 1.00 0.00 C ATOM 693 C CYS A 45 3.789 -1.137 9.370 1.00 0.00 C ATOM 694 O CYS A 45 4.973 -1.340 9.190 1.00 0.00 O ATOM 695 CB CYS A 45 1.932 -1.465 7.737 1.00 0.00 C ATOM 696 SG CYS A 45 3.043 -1.010 6.377 1.00 0.00 S ATOM 0 H CYS A 45 0.823 -2.241 9.819 1.00 0.00 H new ATOM 0 HA CYS A 45 3.222 -3.023 8.500 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.165 -2.150 7.377 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.419 -0.579 8.110 1.00 0.00 H new ATOM 701 N ARG A 46 3.373 -0.069 9.989 1.00 0.00 N ATOM 702 CA ARG A 46 4.355 0.930 10.489 1.00 0.00 C ATOM 703 C ARG A 46 5.232 0.305 11.582 1.00 0.00 C ATOM 704 O ARG A 46 6.414 0.572 11.659 1.00 0.00 O ATOM 705 CB ARG A 46 3.596 2.145 11.049 1.00 0.00 C ATOM 706 CG ARG A 46 4.471 3.407 10.968 1.00 0.00 C ATOM 707 CD ARG A 46 5.681 3.294 11.917 1.00 0.00 C ATOM 708 NE ARG A 46 5.983 4.638 12.507 1.00 0.00 N ATOM 709 CZ ARG A 46 6.072 5.705 11.756 1.00 0.00 C ATOM 710 NH1 ARG A 46 6.216 6.877 12.312 1.00 0.00 N ATOM 711 NH2 ARG A 46 6.071 5.603 10.456 1.00 0.00 N ATOM 0 H ARG A 46 2.395 0.155 10.170 1.00 0.00 H new ATOM 0 HA ARG A 46 4.999 1.250 9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.675 2.297 10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.311 1.958 12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.818 3.550 9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.878 4.284 11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.469 2.577 12.710 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.549 2.921 11.373 1.00 0.00 H new ATOM 0 HE ARG A 46 6.122 4.722 13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.259 6.958 13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.286 7.712 11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.000 4.685 10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.141 6.441 9.879 1.00 0.00 H new ATOM 725 N SER A 47 4.666 -0.523 12.430 1.00 0.00 N ATOM 726 CA SER A 47 5.477 -1.158 13.521 1.00 0.00 C ATOM 727 C SER A 47 5.102 -2.633 13.644 1.00 0.00 C ATOM 728 O SER A 47 3.983 -3.018 13.392 1.00 0.00 O ATOM 729 CB SER A 47 5.192 -0.450 14.846 1.00 0.00 C ATOM 730 OG SER A 47 5.474 0.936 14.706 1.00 0.00 O ATOM 0 H SER A 47 3.681 -0.786 12.414 1.00 0.00 H new ATOM 0 HA SER A 47 6.537 -1.071 13.281 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.150 -0.594 15.132 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.803 -0.879 15.640 1.00 0.00 H new ATOM 0 HG SER A 47 5.291 1.394 15.553 1.00 0.00 H new ATOM 736 N ILE A 48 6.027 -3.464 14.036 1.00 0.00 N ATOM 737 CA ILE A 48 5.708 -4.912 14.166 1.00 0.00 C ATOM 738 C ILE A 48 4.733 -5.116 15.324 1.00 0.00 C ATOM 739 O ILE A 48 5.116 -5.155 16.476 1.00 0.00 O ATOM 740 CB ILE A 48 6.994 -5.694 14.439 1.00 0.00 C ATOM 741 CG1 ILE A 48 8.007 -5.413 13.327 1.00 0.00 C ATOM 742 CG2 ILE A 48 6.683 -7.191 14.478 1.00 0.00 C ATOM 743 CD1 ILE A 48 9.360 -6.021 13.702 1.00 0.00 C ATOM 0 H ILE A 48 6.985 -3.205 14.271 1.00 0.00 H new ATOM 0 HA ILE A 48 5.254 -5.269 13.241 1.00 0.00 H new ATOM 0 HB ILE A 48 7.410 -5.385 15.398 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.655 -5.835 12.385 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.109 -4.338 13.177 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.599 -7.748 14.673 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.961 -7.392 15.270 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.266 -7.501 13.520 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.081 -5.821 12.910 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.712 -5.578 14.634 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.252 -7.098 13.830 1.00 0.00 H new ATOM 755 N CYS A 49 3.469 -5.251 15.022 1.00 0.00 N ATOM 756 CA CYS A 49 2.460 -5.459 16.097 1.00 0.00 C ATOM 757 C CYS A 49 2.450 -6.938 16.490 1.00 0.00 C ATOM 758 O CYS A 49 2.574 -7.812 15.656 1.00 0.00 O ATOM 759 CB CYS A 49 1.077 -5.045 15.584 1.00 0.00 C ATOM 760 SG CYS A 49 0.583 -6.133 14.224 1.00 0.00 S ATOM 0 H CYS A 49 3.093 -5.226 14.074 1.00 0.00 H new ATOM 0 HA CYS A 49 2.712 -4.853 16.968 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.347 -5.101 16.391 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.099 -4.009 15.245 1.00 0.00 H new ATOM 765 N SER A 50 2.315 -7.226 17.755 1.00 0.00 N ATOM 766 CA SER A 50 2.311 -8.649 18.198 1.00 0.00 C ATOM 767 C SER A 50 1.022 -9.330 17.735 1.00 0.00 C ATOM 768 O SER A 50 0.032 -8.684 17.455 1.00 0.00 O ATOM 769 CB SER A 50 2.401 -8.707 19.724 1.00 0.00 C ATOM 770 OG SER A 50 3.363 -7.761 20.172 1.00 0.00 O ATOM 0 H SER A 50 2.207 -6.538 18.501 1.00 0.00 H new ATOM 0 HA SER A 50 3.166 -9.165 17.763 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.428 -8.491 20.166 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.682 -9.710 20.046 1.00 0.00 H new ATOM 0 HG SER A 50 3.423 -7.793 21.150 1.00 0.00 H new ATOM 776 N LEU A 51 1.027 -10.633 17.659 1.00 0.00 N ATOM 777 CA LEU A 51 -0.199 -11.355 17.220 1.00 0.00 C ATOM 778 C LEU A 51 -1.378 -10.901 18.079 1.00 0.00 C ATOM 779 O LEU A 51 -2.504 -10.856 17.632 1.00 0.00 O ATOM 780 CB LEU A 51 0.000 -12.864 17.390 1.00 0.00 C ATOM 781 CG LEU A 51 1.326 -13.293 16.756 1.00 0.00 C ATOM 782 CD1 LEU A 51 1.519 -14.796 16.964 1.00 0.00 C ATOM 783 CD2 LEU A 51 1.309 -12.981 15.253 1.00 0.00 C ATOM 0 H LEU A 51 1.826 -11.227 17.882 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.396 -11.135 16.171 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.007 -13.123 18.449 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.826 -13.403 16.925 1.00 0.00 H new ATOM 0 HG LEU A 51 2.146 -12.748 17.224 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.462 -15.107 16.514 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.536 -15.016 18.031 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.697 -15.337 16.495 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.255 -13.288 14.807 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.491 -13.523 14.778 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.169 -11.910 15.105 1.00 0.00 H new ATOM 795 N TYR A 52 -1.124 -10.560 19.313 1.00 0.00 N ATOM 796 CA TYR A 52 -2.227 -10.103 20.206 1.00 0.00 C ATOM 797 C TYR A 52 -3.067 -9.049 19.477 1.00 0.00 C ATOM 798 O TYR A 52 -4.271 -9.169 19.364 1.00 0.00 O ATOM 799 CB TYR A 52 -1.626 -9.496 21.481 1.00 0.00 C ATOM 800 CG TYR A 52 -2.662 -9.480 22.579 1.00 0.00 C ATOM 801 CD1 TYR A 52 -3.663 -8.508 22.572 1.00 0.00 C ATOM 802 CD2 TYR A 52 -2.620 -10.436 23.601 1.00 0.00 C ATOM 803 CE1 TYR A 52 -4.627 -8.486 23.586 1.00 0.00 C ATOM 804 CE2 TYR A 52 -3.583 -10.416 24.617 1.00 0.00 C ATOM 805 CZ TYR A 52 -4.588 -9.441 24.610 1.00 0.00 C ATOM 806 OH TYR A 52 -5.538 -9.420 25.610 1.00 0.00 O ATOM 0 H TYR A 52 -0.199 -10.578 19.742 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.862 -10.948 20.471 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.758 -10.075 21.796 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.278 -8.482 21.283 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.694 -7.771 21.783 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.845 -11.188 23.606 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.401 -7.733 23.579 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.551 -11.153 25.406 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.367 -10.151 26.240 1.00 0.00 H new ATOM 816 N GLN A 53 -2.438 -8.019 18.980 1.00 0.00 N ATOM 817 CA GLN A 53 -3.196 -6.959 18.256 1.00 0.00 C ATOM 818 C GLN A 53 -3.875 -7.567 17.029 1.00 0.00 C ATOM 819 O GLN A 53 -5.059 -7.396 16.818 1.00 0.00 O ATOM 820 CB GLN A 53 -2.235 -5.856 17.818 1.00 0.00 C ATOM 821 CG GLN A 53 -1.441 -5.367 19.031 1.00 0.00 C ATOM 822 CD GLN A 53 -0.693 -4.083 18.672 1.00 0.00 C ATOM 823 OE1 GLN A 53 -1.302 -3.069 18.400 1.00 0.00 O ATOM 824 NE2 GLN A 53 0.609 -4.084 18.663 1.00 0.00 N ATOM 0 H GLN A 53 -1.432 -7.866 19.044 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.954 -6.537 18.916 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.557 -6.232 17.052 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.790 -5.029 17.375 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.114 -5.185 19.869 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.735 -6.134 19.349 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.120 -4.937 18.892 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.118 -3.232 18.427 1.00 0.00 H new ATOM 833 N LEU A 54 -3.142 -8.282 16.220 1.00 0.00 N ATOM 834 CA LEU A 54 -3.766 -8.901 15.020 1.00 0.00 C ATOM 835 C LEU A 54 -4.932 -9.765 15.471 1.00 0.00 C ATOM 836 O LEU A 54 -5.950 -9.864 14.815 1.00 0.00 O ATOM 837 CB LEU A 54 -2.744 -9.753 14.287 1.00 0.00 C ATOM 838 CG LEU A 54 -1.614 -8.856 13.783 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.532 -9.727 13.137 1.00 0.00 C ATOM 840 CD2 LEU A 54 -2.155 -7.843 12.755 1.00 0.00 C ATOM 0 H LEU A 54 -2.145 -8.463 16.338 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.120 -8.124 14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.347 -10.520 14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.215 -10.270 13.451 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.189 -8.305 14.622 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.277 -9.093 12.775 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.142 -10.429 13.874 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.961 -10.280 12.301 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.340 -7.210 12.404 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.588 -8.378 11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.920 -7.223 13.223 1.00 0.00 H new ATOM 852 N GLU A 55 -4.785 -10.378 16.603 1.00 0.00 N ATOM 853 CA GLU A 55 -5.872 -11.236 17.144 1.00 0.00 C ATOM 854 C GLU A 55 -7.010 -10.342 17.638 1.00 0.00 C ATOM 855 O GLU A 55 -8.078 -10.804 17.985 1.00 0.00 O ATOM 856 CB GLU A 55 -5.322 -12.067 18.309 1.00 0.00 C ATOM 857 CG GLU A 55 -6.266 -13.238 18.642 1.00 0.00 C ATOM 858 CD GLU A 55 -7.397 -12.759 19.558 1.00 0.00 C ATOM 859 OE1 GLU A 55 -8.536 -13.107 19.292 1.00 0.00 O ATOM 860 OE2 GLU A 55 -7.104 -12.052 20.508 1.00 0.00 O ATOM 0 H GLU A 55 -3.950 -10.323 17.186 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.245 -11.905 16.368 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.335 -12.452 18.052 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.199 -11.433 19.187 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.682 -13.652 17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.708 -14.038 19.128 1.00 0.00 H new ATOM 867 N ASN A 56 -6.777 -9.061 17.691 1.00 0.00 N ATOM 868 CA ASN A 56 -7.827 -8.126 18.188 1.00 0.00 C ATOM 869 C ASN A 56 -8.881 -7.858 17.108 1.00 0.00 C ATOM 870 O ASN A 56 -9.989 -7.457 17.403 1.00 0.00 O ATOM 871 CB ASN A 56 -7.158 -6.806 18.582 1.00 0.00 C ATOM 872 CG ASN A 56 -8.090 -5.998 19.487 1.00 0.00 C ATOM 873 OD1 ASN A 56 -9.290 -6.190 19.471 1.00 0.00 O ATOM 874 ND2 ASN A 56 -7.582 -5.096 20.280 1.00 0.00 N ATOM 0 H ASN A 56 -5.902 -8.618 17.411 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.325 -8.577 19.046 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.218 -7.004 19.098 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.916 -6.230 17.689 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.192 -4.550 20.888 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.575 -4.936 20.292 1.00 0.00 H new ATOM 881 N TYR A 57 -8.542 -8.051 15.862 1.00 0.00 N ATOM 882 CA TYR A 57 -9.514 -7.782 14.757 1.00 0.00 C ATOM 883 C TYR A 57 -10.129 -9.094 14.265 1.00 0.00 C ATOM 884 O TYR A 57 -11.038 -9.101 13.459 1.00 0.00 O ATOM 885 CB TYR A 57 -8.755 -7.097 13.621 1.00 0.00 C ATOM 886 CG TYR A 57 -7.775 -6.115 14.221 1.00 0.00 C ATOM 887 CD1 TYR A 57 -8.186 -4.834 14.617 1.00 0.00 C ATOM 888 CD2 TYR A 57 -6.449 -6.497 14.384 1.00 0.00 C ATOM 889 CE1 TYR A 57 -7.261 -3.944 15.174 1.00 0.00 C ATOM 890 CE2 TYR A 57 -5.519 -5.610 14.940 1.00 0.00 C ATOM 891 CZ TYR A 57 -5.926 -4.332 15.336 1.00 0.00 C ATOM 892 OH TYR A 57 -5.013 -3.455 15.884 1.00 0.00 O ATOM 0 H TYR A 57 -7.628 -8.386 15.558 1.00 0.00 H new ATOM 0 HA TYR A 57 -10.322 -7.142 15.111 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.228 -7.836 13.018 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.450 -6.581 12.958 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.216 -4.535 14.492 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.134 -7.484 14.080 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.577 -2.957 15.479 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.489 -5.912 15.063 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.205 -3.945 16.146 1.00 0.00 H new ATOM 902 N CYS A 58 -9.643 -10.203 14.743 1.00 0.00 N ATOM 903 CA CYS A 58 -10.197 -11.509 14.306 1.00 0.00 C ATOM 904 C CYS A 58 -11.668 -11.600 14.703 1.00 0.00 C ATOM 905 O CYS A 58 -12.006 -11.949 15.816 1.00 0.00 O ATOM 906 CB CYS A 58 -9.404 -12.637 14.961 1.00 0.00 C ATOM 907 SG CYS A 58 -7.704 -12.603 14.338 1.00 0.00 S ATOM 0 H CYS A 58 -8.883 -10.260 15.420 1.00 0.00 H new ATOM 0 HA CYS A 58 -10.119 -11.598 13.223 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -9.410 -12.521 16.045 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.866 -13.599 14.741 1.00 0.00 H new ATOM 912 N GLY A 59 -12.546 -11.285 13.791 1.00 0.00 N ATOM 913 CA GLY A 59 -14.003 -11.348 14.101 1.00 0.00 C ATOM 914 C GLY A 59 -14.797 -10.686 12.973 1.00 0.00 C ATOM 915 O GLY A 59 -15.296 -11.406 12.125 1.00 0.00 O ATOM 916 OXT GLY A 59 -14.892 -9.470 12.978 1.00 0.00 O ATOM 0 H GLY A 59 -12.317 -10.986 12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.315 -12.386 14.219 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.206 -10.845 15.046 1.00 0.00 H new TER 920 GLY A 59