USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=15 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 :FLIP amide:sc= -1.96! C(o=-6!,f=-4.7!) USER MOD Set 1.2: A 53 GLN :FLIP amide:sc= -2.76! C(o=-9.4!,f=-4.7!) USER MOD Set 1.3: A 57 TYR OH : rot 180:sc=-0.00246 USER MOD Set 2.1: A 27 THR OG1 : rot -130:sc= 0.1 USER MOD Set 2.2: A 30 THR OG1 : rot -2:sc= -0.0817 USER MOD Set 3.1: A 4 GLN : amide:sc= -2.69! C(o=-5.5!,f=-9.9!) USER MOD Set 3.2: A 10 HIS : no HD1:sc= -2.8! C(o=-5.5!,f=-16!) USER MOD Single : A 1 PHE N :NH3+ 158:sc= 1.41 (180deg=0.851) USER MOD Single : A 3 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.9!) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.808 F(o=-3.2!,f=-0.81) USER MOD Single : A 9 SER OG : rot 180:sc= 0 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 34 SER OG : rot 180:sc= 0.441! USER MOD Single : A 37 SER OG : rot 160:sc= 0 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= -0.833 X(o=-0.83,f=-0.87!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 4.005 -15.483 13.665 1.00 0.00 N ATOM 2 CA PHE A 1 4.801 -15.767 12.435 1.00 0.00 C ATOM 3 C PHE A 1 6.272 -15.425 12.707 1.00 0.00 C ATOM 4 O PHE A 1 6.700 -15.347 13.841 1.00 0.00 O ATOM 5 CB PHE A 1 4.259 -14.933 11.241 1.00 0.00 C ATOM 6 CG PHE A 1 2.982 -14.225 11.640 1.00 0.00 C ATOM 7 CD1 PHE A 1 1.791 -14.948 11.768 1.00 0.00 C ATOM 8 CD2 PHE A 1 2.995 -12.848 11.883 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.611 -14.293 12.140 1.00 0.00 C ATOM 10 CE2 PHE A 1 1.816 -12.190 12.254 1.00 0.00 C ATOM 11 CZ PHE A 1 0.622 -12.914 12.383 1.00 0.00 C ATOM 0 H1 PHE A 1 3.006 -15.347 13.408 1.00 0.00 H new ATOM 0 H2 PHE A 1 4.087 -16.283 14.324 1.00 0.00 H new ATOM 0 H3 PHE A 1 4.366 -14.621 14.121 1.00 0.00 H new ATOM 0 HA PHE A 1 4.716 -16.822 12.176 1.00 0.00 H new ATOM 0 HB2 PHE A 1 5.006 -14.204 10.928 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.072 -15.584 10.387 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.782 -16.011 11.580 1.00 0.00 H new ATOM 0 HD2 PHE A 1 3.915 -12.291 11.784 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.308 -14.851 12.240 1.00 0.00 H new ATOM 0 HE2 PHE A 1 1.826 -11.126 12.441 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.288 -12.408 12.670 1.00 0.00 H new ATOM 23 N VAL A 2 7.046 -15.217 11.677 1.00 0.00 N ATOM 24 CA VAL A 2 8.479 -14.878 11.887 1.00 0.00 C ATOM 25 C VAL A 2 8.568 -13.552 12.661 1.00 0.00 C ATOM 26 O VAL A 2 8.165 -13.476 13.803 1.00 0.00 O ATOM 27 CB VAL A 2 9.177 -14.797 10.521 1.00 0.00 C ATOM 28 CG1 VAL A 2 8.304 -13.981 9.571 1.00 0.00 C ATOM 29 CG2 VAL A 2 10.603 -14.176 10.638 1.00 0.00 C ATOM 0 H VAL A 2 6.748 -15.267 10.703 1.00 0.00 H new ATOM 0 HA VAL A 2 8.983 -15.645 12.475 1.00 0.00 H new ATOM 0 HB VAL A 2 9.305 -15.806 10.129 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.789 -13.916 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.334 -14.465 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.165 -12.978 9.975 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.064 -14.136 9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.528 -13.168 11.045 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.214 -14.790 11.299 1.00 0.00 H new ATOM 39 N ASN A 3 9.077 -12.511 12.059 1.00 0.00 N ATOM 40 CA ASN A 3 9.176 -11.202 12.770 1.00 0.00 C ATOM 41 C ASN A 3 9.474 -10.100 11.750 1.00 0.00 C ATOM 42 O ASN A 3 10.610 -9.870 11.386 1.00 0.00 O ATOM 43 CB ASN A 3 10.311 -11.255 13.807 1.00 0.00 C ATOM 44 CG ASN A 3 9.829 -11.958 15.078 1.00 0.00 C ATOM 45 OD1 ASN A 3 8.904 -11.506 15.723 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.421 -13.054 15.468 1.00 0.00 N ATOM 0 H ASN A 3 9.430 -12.510 11.102 1.00 0.00 H new ATOM 0 HA ASN A 3 8.235 -10.994 13.279 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.169 -11.784 13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.644 -10.245 14.045 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.107 -13.530 16.314 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.198 -13.434 14.927 1.00 0.00 H new ATOM 53 N GLN A 4 8.465 -9.416 11.287 1.00 0.00 N ATOM 54 CA GLN A 4 8.697 -8.329 10.295 1.00 0.00 C ATOM 55 C GLN A 4 7.474 -7.406 10.262 1.00 0.00 C ATOM 56 O GLN A 4 6.467 -7.667 10.890 1.00 0.00 O ATOM 57 CB GLN A 4 8.942 -8.944 8.906 1.00 0.00 C ATOM 58 CG GLN A 4 8.138 -10.237 8.767 1.00 0.00 C ATOM 59 CD GLN A 4 8.136 -10.680 7.303 1.00 0.00 C ATOM 60 OE1 GLN A 4 7.517 -10.052 6.467 1.00 0.00 O ATOM 61 NE2 GLN A 4 8.809 -11.742 6.954 1.00 0.00 N ATOM 0 H GLN A 4 7.491 -9.562 11.552 1.00 0.00 H new ATOM 0 HA GLN A 4 9.574 -7.747 10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.651 -8.238 8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.004 -9.148 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.571 -11.017 9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.116 -10.082 9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.329 -12.270 7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.815 -12.045 5.980 1.00 0.00 H new ATOM 70 N HIS A 5 7.563 -6.321 9.542 1.00 0.00 N ATOM 71 CA HIS A 5 6.418 -5.369 9.474 1.00 0.00 C ATOM 72 C HIS A 5 5.346 -5.926 8.524 1.00 0.00 C ATOM 73 O HIS A 5 5.628 -6.314 7.407 1.00 0.00 O ATOM 74 CB HIS A 5 6.911 -3.978 8.982 1.00 0.00 C ATOM 75 CG HIS A 5 8.411 -3.962 8.869 1.00 0.00 C ATOM 76 ND1 HIS A 5 9.403 -4.367 9.729 1.00 0.00 N flip ATOM 77 CD2 HIS A 5 9.059 -3.464 7.749 1.00 0.00 C flip ATOM 78 CE1 HIS A 5 10.641 -4.122 9.150 1.00 0.00 C flip ATOM 79 NE2 HIS A 5 10.381 -3.578 7.961 1.00 0.00 N flip ATOM 0 H HIS A 5 8.382 -6.052 8.996 1.00 0.00 H new ATOM 0 HA HIS A 5 5.985 -5.250 10.467 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.465 -3.749 8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.584 -3.203 9.676 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.587 -3.058 6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.612 -4.329 9.574 1.00 0.00 H new ATOM 0 HE2 HIS A 5 11.096 -3.285 7.295 1.00 0.00 H new ATOM 87 N LEU A 6 4.119 -5.959 8.966 1.00 0.00 N ATOM 88 CA LEU A 6 3.012 -6.480 8.107 1.00 0.00 C ATOM 89 C LEU A 6 2.397 -5.314 7.322 1.00 0.00 C ATOM 90 O LEU A 6 1.817 -4.420 7.899 1.00 0.00 O ATOM 91 CB LEU A 6 1.928 -7.088 9.017 1.00 0.00 C ATOM 92 CG LEU A 6 2.077 -8.616 9.139 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.542 -9.004 9.405 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.203 -9.109 10.294 1.00 0.00 C ATOM 0 H LEU A 6 3.831 -5.645 9.893 1.00 0.00 H new ATOM 0 HA LEU A 6 3.396 -7.232 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.989 -6.636 10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.942 -6.849 8.618 1.00 0.00 H new ATOM 0 HG LEU A 6 1.763 -9.077 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.622 -10.088 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.166 -8.656 8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.877 -8.544 10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.301 -10.190 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.523 -8.633 11.221 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.162 -8.855 10.096 1.00 0.00 H new ATOM 106 N CYS A 7 2.495 -5.329 6.016 1.00 0.00 N ATOM 107 CA CYS A 7 1.900 -4.224 5.201 1.00 0.00 C ATOM 108 C CYS A 7 1.025 -4.798 4.088 1.00 0.00 C ATOM 109 O CYS A 7 1.457 -5.600 3.284 1.00 0.00 O ATOM 110 CB CYS A 7 3.030 -3.394 4.600 1.00 0.00 C ATOM 111 SG CYS A 7 4.080 -2.779 5.941 1.00 0.00 S ATOM 0 H CYS A 7 2.962 -6.059 5.478 1.00 0.00 H new ATOM 0 HA CYS A 7 1.277 -3.596 5.838 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.617 -3.999 3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.623 -2.561 4.027 1.00 0.00 H new ATOM 116 N GLY A 8 -0.208 -4.372 4.040 1.00 0.00 N ATOM 117 CA GLY A 8 -1.143 -4.856 2.988 1.00 0.00 C ATOM 118 C GLY A 8 -1.371 -6.362 3.112 1.00 0.00 C ATOM 119 O GLY A 8 -1.571 -6.886 4.190 1.00 0.00 O ATOM 0 H GLY A 8 -0.611 -3.701 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.095 -4.332 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.739 -4.625 2.002 1.00 0.00 H new ATOM 123 N SER A 9 -1.363 -7.054 2.003 1.00 0.00 N ATOM 124 CA SER A 9 -1.598 -8.527 2.019 1.00 0.00 C ATOM 125 C SER A 9 -0.846 -9.180 3.180 1.00 0.00 C ATOM 126 O SER A 9 -1.318 -10.124 3.780 1.00 0.00 O ATOM 127 CB SER A 9 -1.113 -9.130 0.701 1.00 0.00 C ATOM 128 OG SER A 9 -1.942 -8.672 -0.358 1.00 0.00 O ATOM 0 H SER A 9 -1.202 -6.657 1.078 1.00 0.00 H new ATOM 0 HA SER A 9 -2.665 -8.710 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.077 -8.845 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.139 -10.218 0.754 1.00 0.00 H new ATOM 0 HG SER A 9 -1.633 -9.056 -1.205 1.00 0.00 H new ATOM 134 N HIS A 10 0.317 -8.694 3.509 1.00 0.00 N ATOM 135 CA HIS A 10 1.072 -9.309 4.632 1.00 0.00 C ATOM 136 C HIS A 10 0.231 -9.212 5.904 1.00 0.00 C ATOM 137 O HIS A 10 0.241 -10.097 6.737 1.00 0.00 O ATOM 138 CB HIS A 10 2.400 -8.572 4.823 1.00 0.00 C ATOM 139 CG HIS A 10 3.358 -9.435 5.598 1.00 0.00 C ATOM 140 ND1 HIS A 10 2.983 -10.659 6.134 1.00 0.00 N ATOM 141 CD2 HIS A 10 4.679 -9.266 5.935 1.00 0.00 C ATOM 142 CE1 HIS A 10 4.058 -11.176 6.757 1.00 0.00 C ATOM 143 NE2 HIS A 10 5.112 -10.366 6.665 1.00 0.00 N ATOM 0 H HIS A 10 0.774 -7.904 3.053 1.00 0.00 H new ATOM 0 HA HIS A 10 1.280 -10.356 4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.828 -8.319 3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.232 -7.634 5.352 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.286 -8.412 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.065 -12.128 7.267 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.043 -10.521 7.051 1.00 0.00 H new ATOM 151 N LEU A 11 -0.507 -8.145 6.056 1.00 0.00 N ATOM 152 CA LEU A 11 -1.354 -7.999 7.270 1.00 0.00 C ATOM 153 C LEU A 11 -2.517 -8.974 7.162 1.00 0.00 C ATOM 154 O LEU A 11 -2.785 -9.746 8.061 1.00 0.00 O ATOM 155 CB LEU A 11 -1.865 -6.550 7.359 1.00 0.00 C ATOM 156 CG LEU A 11 -2.694 -6.300 8.636 1.00 0.00 C ATOM 157 CD1 LEU A 11 -2.043 -6.941 9.879 1.00 0.00 C ATOM 158 CD2 LEU A 11 -2.853 -4.781 8.868 1.00 0.00 C ATOM 0 H LEU A 11 -0.559 -7.372 5.393 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.781 -8.219 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.017 -5.866 7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.474 -6.327 6.483 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.670 -6.762 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.659 -6.741 10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.960 -8.018 9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.050 -6.518 10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.439 -4.610 9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.869 -4.325 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.363 -4.334 8.015 1.00 0.00 H new ATOM 170 N VAL A 12 -3.189 -8.962 6.054 1.00 0.00 N ATOM 171 CA VAL A 12 -4.316 -9.907 5.861 1.00 0.00 C ATOM 172 C VAL A 12 -3.777 -11.325 5.973 1.00 0.00 C ATOM 173 O VAL A 12 -4.173 -12.091 6.829 1.00 0.00 O ATOM 174 CB VAL A 12 -4.906 -9.686 4.461 1.00 0.00 C ATOM 175 CG1 VAL A 12 -5.804 -10.881 4.021 1.00 0.00 C ATOM 176 CG2 VAL A 12 -5.709 -8.385 4.483 1.00 0.00 C ATOM 0 H VAL A 12 -3.007 -8.336 5.269 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.090 -9.747 6.612 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.097 -9.618 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.204 -10.688 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.210 -11.795 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.627 -10.997 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.139 -8.206 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.509 -8.464 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.052 -7.557 4.748 1.00 0.00 H new ATOM 186 N GLU A 13 -2.877 -11.674 5.104 1.00 0.00 N ATOM 187 CA GLU A 13 -2.297 -13.042 5.132 1.00 0.00 C ATOM 188 C GLU A 13 -1.946 -13.427 6.567 1.00 0.00 C ATOM 189 O GLU A 13 -1.973 -14.582 6.919 1.00 0.00 O ATOM 190 CB GLU A 13 -1.037 -13.080 4.266 1.00 0.00 C ATOM 191 CG GLU A 13 -1.424 -12.842 2.803 1.00 0.00 C ATOM 192 CD GLU A 13 -0.187 -12.432 2.001 1.00 0.00 C ATOM 193 OE1 GLU A 13 0.304 -11.337 2.224 1.00 0.00 O ATOM 194 OE2 GLU A 13 0.249 -13.219 1.177 1.00 0.00 O ATOM 0 H GLU A 13 -2.515 -11.066 4.369 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.027 -13.750 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.331 -12.318 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.538 -14.044 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.859 -13.747 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.184 -12.063 2.740 1.00 0.00 H new ATOM 201 N ALA A 14 -1.618 -12.473 7.400 1.00 0.00 N ATOM 202 CA ALA A 14 -1.270 -12.807 8.809 1.00 0.00 C ATOM 203 C ALA A 14 -2.551 -12.896 9.652 1.00 0.00 C ATOM 204 O ALA A 14 -2.860 -13.929 10.212 1.00 0.00 O ATOM 205 CB ALA A 14 -0.349 -11.712 9.355 1.00 0.00 C ATOM 0 H ALA A 14 -1.577 -11.481 7.164 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.761 -13.770 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.084 -11.941 10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.556 -11.663 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.863 -10.752 9.317 1.00 0.00 H new ATOM 211 N LEU A 15 -3.299 -11.826 9.749 1.00 0.00 N ATOM 212 CA LEU A 15 -4.553 -11.866 10.563 1.00 0.00 C ATOM 213 C LEU A 15 -5.354 -13.119 10.208 1.00 0.00 C ATOM 214 O LEU A 15 -5.977 -13.734 11.051 1.00 0.00 O ATOM 215 CB LEU A 15 -5.412 -10.634 10.255 1.00 0.00 C ATOM 216 CG LEU A 15 -4.843 -9.388 10.967 1.00 0.00 C ATOM 217 CD1 LEU A 15 -5.227 -8.113 10.201 1.00 0.00 C ATOM 218 CD2 LEU A 15 -5.418 -9.297 12.388 1.00 0.00 C ATOM 0 H LEU A 15 -3.098 -10.931 9.303 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.287 -11.878 11.620 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.442 -10.464 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.438 -10.808 10.579 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.757 -9.478 11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.819 -7.243 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.822 -8.160 9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.313 -8.030 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.015 -8.417 12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.504 -9.219 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.144 -10.190 12.949 1.00 0.00 H new ATOM 230 N TYR A 16 -5.346 -13.491 8.962 1.00 0.00 N ATOM 231 CA TYR A 16 -6.108 -14.691 8.534 1.00 0.00 C ATOM 232 C TYR A 16 -5.744 -15.867 9.455 1.00 0.00 C ATOM 233 O TYR A 16 -6.590 -16.647 9.846 1.00 0.00 O ATOM 234 CB TYR A 16 -5.747 -14.982 7.064 1.00 0.00 C ATOM 235 CG TYR A 16 -5.874 -16.461 6.750 1.00 0.00 C ATOM 236 CD1 TYR A 16 -4.805 -17.145 6.156 1.00 0.00 C ATOM 237 CD2 TYR A 16 -7.054 -17.145 7.064 1.00 0.00 C ATOM 238 CE1 TYR A 16 -4.916 -18.509 5.877 1.00 0.00 C ATOM 239 CE2 TYR A 16 -7.166 -18.512 6.782 1.00 0.00 C ATOM 240 CZ TYR A 16 -6.096 -19.195 6.189 1.00 0.00 C ATOM 241 OH TYR A 16 -6.205 -20.543 5.914 1.00 0.00 O ATOM 0 H TYR A 16 -4.841 -13.012 8.217 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.184 -14.532 8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.402 -14.410 6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.728 -14.652 6.865 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.895 -16.617 5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.878 -16.619 7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.091 -19.035 5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.077 -19.040 7.022 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.088 -20.864 6.194 1.00 0.00 H new ATOM 251 N LEU A 17 -4.494 -15.993 9.805 1.00 0.00 N ATOM 252 CA LEU A 17 -4.076 -17.106 10.702 1.00 0.00 C ATOM 253 C LEU A 17 -4.443 -16.743 12.138 1.00 0.00 C ATOM 254 O LEU A 17 -5.063 -17.507 12.851 1.00 0.00 O ATOM 255 CB LEU A 17 -2.557 -17.301 10.617 1.00 0.00 C ATOM 256 CG LEU A 17 -2.161 -17.930 9.266 1.00 0.00 C ATOM 257 CD1 LEU A 17 -2.042 -16.842 8.200 1.00 0.00 C ATOM 258 CD2 LEU A 17 -0.803 -18.627 9.404 1.00 0.00 C ATOM 0 H LEU A 17 -3.742 -15.371 9.507 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.578 -18.025 10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.055 -16.341 10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.222 -17.941 11.433 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.926 -18.650 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.762 -17.294 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.999 -16.332 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.280 -16.122 8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.523 -19.072 8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.048 -17.898 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.870 -19.408 10.162 1.00 0.00 H new ATOM 270 N VAL A 18 -4.058 -15.576 12.560 1.00 0.00 N ATOM 271 CA VAL A 18 -4.370 -15.135 13.948 1.00 0.00 C ATOM 272 C VAL A 18 -5.862 -15.345 14.222 1.00 0.00 C ATOM 273 O VAL A 18 -6.249 -15.976 15.186 1.00 0.00 O ATOM 274 CB VAL A 18 -4.042 -13.645 14.079 1.00 0.00 C ATOM 275 CG1 VAL A 18 -4.143 -13.217 15.537 1.00 0.00 C ATOM 276 CG2 VAL A 18 -2.621 -13.374 13.572 1.00 0.00 C ATOM 0 H VAL A 18 -3.536 -14.901 12.001 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.782 -15.712 14.661 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.755 -13.077 13.482 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.908 -12.156 15.622 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.156 -13.395 15.899 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.437 -13.794 16.135 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.396 -12.312 13.669 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.908 -13.951 14.161 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.546 -13.666 12.525 1.00 0.00 H new ATOM 286 N CYS A 19 -6.697 -14.803 13.382 1.00 0.00 N ATOM 287 CA CYS A 19 -8.169 -14.937 13.571 1.00 0.00 C ATOM 288 C CYS A 19 -8.649 -16.310 13.105 1.00 0.00 C ATOM 289 O CYS A 19 -9.693 -16.781 13.510 1.00 0.00 O ATOM 290 CB CYS A 19 -8.850 -13.855 12.739 1.00 0.00 C ATOM 291 SG CYS A 19 -7.914 -12.331 12.941 1.00 0.00 S ATOM 0 H CYS A 19 -6.419 -14.265 12.561 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.414 -14.829 14.628 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.884 -14.146 11.689 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.881 -13.716 13.064 1.00 0.00 H new ATOM 296 N GLY A 20 -7.909 -16.952 12.251 1.00 0.00 N ATOM 297 CA GLY A 20 -8.349 -18.284 11.762 1.00 0.00 C ATOM 298 C GLY A 20 -9.760 -18.160 11.184 1.00 0.00 C ATOM 299 O GLY A 20 -9.972 -17.517 10.175 1.00 0.00 O ATOM 0 H GLY A 20 -7.024 -16.616 11.872 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.661 -18.652 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.338 -19.007 12.578 1.00 0.00 H new ATOM 303 N GLU A 21 -10.728 -18.774 11.811 1.00 0.00 N ATOM 304 CA GLU A 21 -12.127 -18.695 11.292 1.00 0.00 C ATOM 305 C GLU A 21 -12.831 -17.438 11.812 1.00 0.00 C ATOM 306 O GLU A 21 -13.712 -16.906 11.167 1.00 0.00 O ATOM 307 CB GLU A 21 -12.903 -19.935 11.738 1.00 0.00 C ATOM 308 CG GLU A 21 -12.198 -21.191 11.222 1.00 0.00 C ATOM 309 CD GLU A 21 -12.803 -22.427 11.890 1.00 0.00 C ATOM 310 OE1 GLU A 21 -13.480 -23.176 11.203 1.00 0.00 O ATOM 311 OE2 GLU A 21 -12.579 -22.605 13.076 1.00 0.00 O ATOM 0 H GLU A 21 -10.612 -19.327 12.660 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.093 -18.647 10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.970 -19.963 12.826 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.923 -19.895 11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.304 -21.261 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.131 -21.135 11.435 1.00 0.00 H new ATOM 318 N ARG A 22 -12.468 -16.961 12.970 1.00 0.00 N ATOM 319 CA ARG A 22 -13.146 -15.746 13.507 1.00 0.00 C ATOM 320 C ARG A 22 -13.065 -14.622 12.476 1.00 0.00 C ATOM 321 O ARG A 22 -13.990 -13.851 12.311 1.00 0.00 O ATOM 322 CB ARG A 22 -12.461 -15.298 14.804 1.00 0.00 C ATOM 323 CG ARG A 22 -12.801 -16.279 15.945 1.00 0.00 C ATOM 324 CD ARG A 22 -14.137 -15.892 16.608 1.00 0.00 C ATOM 325 NE ARG A 22 -14.793 -17.117 17.147 1.00 0.00 N ATOM 326 CZ ARG A 22 -15.775 -17.010 17.999 1.00 0.00 C ATOM 327 NH1 ARG A 22 -16.352 -18.083 18.467 1.00 0.00 N ATOM 328 NH2 ARG A 22 -16.181 -15.830 18.382 1.00 0.00 N ATOM 0 H ARG A 22 -11.738 -17.355 13.564 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.190 -15.979 13.714 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.382 -15.256 14.659 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.787 -14.292 15.069 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.863 -17.294 15.553 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.004 -16.272 16.688 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.964 -15.175 17.411 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.789 -15.406 15.882 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.474 -18.039 16.850 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.035 -19.005 18.167 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.120 -18.000 19.133 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.730 -14.992 18.015 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.949 -15.746 19.048 1.00 0.00 H new ATOM 342 N GLY A 23 -11.973 -14.527 11.772 1.00 0.00 N ATOM 343 CA GLY A 23 -11.846 -13.457 10.743 1.00 0.00 C ATOM 344 C GLY A 23 -11.613 -12.098 11.416 1.00 0.00 C ATOM 345 O GLY A 23 -11.790 -11.940 12.605 1.00 0.00 O ATOM 0 H GLY A 23 -11.164 -15.142 11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.018 -13.685 10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.749 -13.419 10.134 1.00 0.00 H new ATOM 349 N PHE A 24 -11.228 -11.118 10.642 1.00 0.00 N ATOM 350 CA PHE A 24 -10.979 -9.742 11.177 1.00 0.00 C ATOM 351 C PHE A 24 -11.569 -8.750 10.177 1.00 0.00 C ATOM 352 O PHE A 24 -12.023 -9.139 9.119 1.00 0.00 O ATOM 353 CB PHE A 24 -9.481 -9.497 11.299 1.00 0.00 C ATOM 354 CG PHE A 24 -8.840 -9.776 9.967 1.00 0.00 C ATOM 355 CD1 PHE A 24 -8.713 -11.098 9.515 1.00 0.00 C ATOM 356 CD2 PHE A 24 -8.388 -8.716 9.177 1.00 0.00 C ATOM 357 CE1 PHE A 24 -8.134 -11.355 8.270 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.805 -8.977 7.933 1.00 0.00 C ATOM 359 CZ PHE A 24 -7.682 -10.294 7.483 1.00 0.00 C ATOM 0 H PHE A 24 -11.072 -11.214 9.639 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.434 -9.627 12.161 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.289 -8.468 11.603 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.053 -10.141 12.067 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.062 -11.915 10.128 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.488 -7.699 9.526 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.036 -12.371 7.917 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.450 -8.161 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.234 -10.493 6.520 1.00 0.00 H new ATOM 369 N PHE A 25 -11.584 -7.480 10.493 1.00 0.00 N ATOM 370 CA PHE A 25 -12.162 -6.474 9.553 1.00 0.00 C ATOM 371 C PHE A 25 -11.045 -5.611 8.939 1.00 0.00 C ATOM 372 O PHE A 25 -10.310 -4.940 9.637 1.00 0.00 O ATOM 373 CB PHE A 25 -13.141 -5.602 10.344 1.00 0.00 C ATOM 374 CG PHE A 25 -12.382 -4.602 11.184 1.00 0.00 C ATOM 375 CD1 PHE A 25 -12.268 -3.285 10.749 1.00 0.00 C ATOM 376 CD2 PHE A 25 -11.789 -4.997 12.386 1.00 0.00 C ATOM 377 CE1 PHE A 25 -11.560 -2.350 11.512 1.00 0.00 C ATOM 378 CE2 PHE A 25 -11.081 -4.066 13.152 1.00 0.00 C ATOM 379 CZ PHE A 25 -10.966 -2.741 12.716 1.00 0.00 C ATOM 0 H PHE A 25 -11.219 -7.096 11.365 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.680 -6.974 8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.810 -5.081 9.660 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.763 -6.228 10.983 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.728 -2.984 9.819 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.877 -6.019 12.723 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.472 -1.329 11.172 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.622 -4.370 14.081 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.420 -2.022 13.308 1.00 0.00 H new ATOM 389 N TYR A 26 -10.929 -5.617 7.632 1.00 0.00 N ATOM 390 CA TYR A 26 -9.881 -4.793 6.944 1.00 0.00 C ATOM 391 C TYR A 26 -10.576 -3.617 6.245 1.00 0.00 C ATOM 392 O TYR A 26 -11.682 -3.756 5.766 1.00 0.00 O ATOM 393 CB TYR A 26 -9.154 -5.659 5.898 1.00 0.00 C ATOM 394 CG TYR A 26 -7.755 -5.127 5.657 1.00 0.00 C ATOM 395 CD1 TYR A 26 -6.745 -5.401 6.582 1.00 0.00 C ATOM 396 CD2 TYR A 26 -7.465 -4.382 4.506 1.00 0.00 C ATOM 397 CE1 TYR A 26 -5.447 -4.933 6.364 1.00 0.00 C ATOM 398 CE2 TYR A 26 -6.161 -3.907 4.291 1.00 0.00 C ATOM 399 CZ TYR A 26 -5.154 -4.184 5.220 1.00 0.00 C ATOM 400 OH TYR A 26 -3.871 -3.723 5.007 1.00 0.00 O ATOM 0 H TYR A 26 -11.521 -6.163 7.006 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.154 -4.424 7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.104 -6.692 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.716 -5.662 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.968 -5.976 7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.243 -4.174 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.668 -5.150 7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.936 -3.328 3.408 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.839 -3.222 4.166 1.00 0.00 H new ATOM 410 N THR A 27 -9.937 -2.471 6.183 1.00 0.00 N ATOM 411 CA THR A 27 -10.553 -1.275 5.511 1.00 0.00 C ATOM 412 C THR A 27 -11.349 -1.718 4.257 1.00 0.00 C ATOM 413 O THR A 27 -10.747 -1.994 3.239 1.00 0.00 O ATOM 414 CB THR A 27 -9.431 -0.324 5.070 1.00 0.00 C ATOM 415 OG1 THR A 27 -9.885 0.463 3.978 1.00 0.00 O ATOM 416 CG2 THR A 27 -8.205 -1.131 4.643 1.00 0.00 C ATOM 0 H THR A 27 -9.008 -2.310 6.572 1.00 0.00 H new ATOM 0 HA THR A 27 -11.227 -0.779 6.209 1.00 0.00 H new ATOM 0 HB THR A 27 -9.159 0.325 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.225 0.430 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.412 -0.451 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.857 -1.734 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.471 -1.784 3.812 1.00 0.00 H new ATOM 424 N PRO A 28 -12.672 -1.801 4.347 1.00 0.00 N ATOM 425 CA PRO A 28 -13.485 -2.240 3.193 1.00 0.00 C ATOM 426 C PRO A 28 -13.427 -1.192 2.067 1.00 0.00 C ATOM 427 O PRO A 28 -13.589 -1.509 0.905 1.00 0.00 O ATOM 428 CB PRO A 28 -14.918 -2.408 3.756 1.00 0.00 C ATOM 429 CG PRO A 28 -14.907 -1.891 5.224 1.00 0.00 C ATOM 430 CD PRO A 28 -13.457 -1.477 5.562 1.00 0.00 C ATOM 0 HA PRO A 28 -13.124 -3.169 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.634 -1.845 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.224 -3.454 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.583 -1.044 5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.253 -2.668 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.395 -0.415 5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.083 -2.021 6.430 1.00 0.00 H new ATOM 438 N ARG A 29 -13.190 0.049 2.402 1.00 0.00 N ATOM 439 CA ARG A 29 -13.112 1.113 1.354 1.00 0.00 C ATOM 440 C ARG A 29 -12.237 2.260 1.874 1.00 0.00 C ATOM 441 O ARG A 29 -11.774 3.091 1.117 1.00 0.00 O ATOM 442 CB ARG A 29 -14.530 1.638 0.996 1.00 0.00 C ATOM 443 CG ARG A 29 -15.566 1.183 2.037 1.00 0.00 C ATOM 444 CD ARG A 29 -15.144 1.582 3.467 1.00 0.00 C ATOM 445 NE ARG A 29 -16.329 2.117 4.195 1.00 0.00 N ATOM 446 CZ ARG A 29 -16.304 2.218 5.495 1.00 0.00 C ATOM 447 NH1 ARG A 29 -17.337 2.695 6.133 1.00 0.00 N ATOM 448 NH2 ARG A 29 -15.247 1.837 6.159 1.00 0.00 N ATOM 0 H ARG A 29 -13.047 0.374 3.358 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.671 0.695 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.516 2.727 0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.817 1.275 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.535 1.626 1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.689 0.101 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.738 0.718 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.355 2.333 3.430 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.159 2.404 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.165 2.989 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.317 2.774 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.440 1.460 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.228 1.916 7.176 1.00 0.00 H new ATOM 462 N THR A 30 -12.006 2.313 3.155 1.00 0.00 N ATOM 463 CA THR A 30 -11.162 3.406 3.714 1.00 0.00 C ATOM 464 C THR A 30 -9.706 3.192 3.294 1.00 0.00 C ATOM 465 O THR A 30 -8.789 3.462 4.043 1.00 0.00 O ATOM 466 CB THR A 30 -11.256 3.399 5.241 1.00 0.00 C ATOM 467 OG1 THR A 30 -11.081 2.073 5.719 1.00 0.00 O ATOM 468 CG2 THR A 30 -12.627 3.923 5.675 1.00 0.00 C ATOM 0 H THR A 30 -12.365 1.647 3.840 1.00 0.00 H new ATOM 0 HA THR A 30 -11.515 4.365 3.334 1.00 0.00 H new ATOM 0 HB THR A 30 -10.478 4.041 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.976 1.463 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.691 3.917 6.763 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.760 4.941 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.408 3.285 5.262 1.00 0.00 H new ATOM 476 N GLU A 31 -9.484 2.710 2.101 1.00 0.00 N ATOM 477 CA GLU A 31 -8.087 2.483 1.638 1.00 0.00 C ATOM 478 C GLU A 31 -7.269 3.758 1.856 1.00 0.00 C ATOM 479 O GLU A 31 -6.060 3.760 1.736 1.00 0.00 O ATOM 480 CB GLU A 31 -8.095 2.126 0.150 1.00 0.00 C ATOM 481 CG GLU A 31 -9.046 0.951 -0.087 1.00 0.00 C ATOM 482 CD GLU A 31 -9.064 0.599 -1.576 1.00 0.00 C ATOM 483 OE1 GLU A 31 -8.325 -0.292 -1.964 1.00 0.00 O ATOM 484 OE2 GLU A 31 -9.817 1.225 -2.304 1.00 0.00 O ATOM 0 H GLU A 31 -10.210 2.464 1.428 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.642 1.664 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.409 2.987 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.089 1.865 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.727 0.088 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.050 1.209 0.248 1.00 0.00 H new ATOM 491 N GLU A 32 -7.921 4.843 2.178 1.00 0.00 N ATOM 492 CA GLU A 32 -7.187 6.121 2.407 1.00 0.00 C ATOM 493 C GLU A 32 -6.723 6.184 3.861 1.00 0.00 C ATOM 494 O GLU A 32 -5.761 6.849 4.191 1.00 0.00 O ATOM 495 CB GLU A 32 -8.120 7.299 2.122 1.00 0.00 C ATOM 496 CG GLU A 32 -8.675 7.179 0.702 1.00 0.00 C ATOM 497 CD GLU A 32 -7.539 7.359 -0.307 1.00 0.00 C ATOM 498 OE1 GLU A 32 -7.242 6.408 -1.012 1.00 0.00 O ATOM 499 OE2 GLU A 32 -6.984 8.444 -0.357 1.00 0.00 O ATOM 0 H GLU A 32 -8.933 4.899 2.293 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.323 6.170 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.937 7.312 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.580 8.239 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.146 6.206 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.445 7.932 0.536 1.00 0.00 H new ATOM 506 N GLY A 33 -7.404 5.494 4.730 1.00 0.00 N ATOM 507 CA GLY A 33 -7.017 5.502 6.170 1.00 0.00 C ATOM 508 C GLY A 33 -7.664 6.698 6.867 1.00 0.00 C ATOM 509 O GLY A 33 -7.812 7.761 6.298 1.00 0.00 O ATOM 0 H GLY A 33 -8.217 4.921 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.334 4.575 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.932 5.555 6.265 1.00 0.00 H new ATOM 513 N SER A 34 -8.050 6.526 8.097 1.00 0.00 N ATOM 514 CA SER A 34 -8.691 7.639 8.849 1.00 0.00 C ATOM 515 C SER A 34 -8.560 7.369 10.347 1.00 0.00 C ATOM 516 O SER A 34 -7.526 6.939 10.819 1.00 0.00 O ATOM 517 CB SER A 34 -10.169 7.713 8.474 1.00 0.00 C ATOM 518 OG SER A 34 -10.788 8.765 9.203 1.00 0.00 O ATOM 0 H SER A 34 -7.949 5.656 8.619 1.00 0.00 H new ATOM 0 HA SER A 34 -8.204 8.583 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.276 7.886 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.660 6.765 8.694 1.00 0.00 H new ATOM 0 HG SER A 34 -11.737 8.816 8.963 1.00 0.00 H new ATOM 524 N ARG A 35 -9.598 7.610 11.103 1.00 0.00 N ATOM 525 CA ARG A 35 -9.519 7.355 12.570 1.00 0.00 C ATOM 526 C ARG A 35 -8.934 5.957 12.805 1.00 0.00 C ATOM 527 O ARG A 35 -7.934 5.798 13.476 1.00 0.00 O ATOM 528 CB ARG A 35 -10.917 7.455 13.213 1.00 0.00 C ATOM 529 CG ARG A 35 -11.991 6.879 12.285 1.00 0.00 C ATOM 530 CD ARG A 35 -13.368 7.072 12.923 1.00 0.00 C ATOM 531 NE ARG A 35 -14.406 6.448 12.055 1.00 0.00 N ATOM 532 CZ ARG A 35 -15.603 6.225 12.525 1.00 0.00 C ATOM 533 NH1 ARG A 35 -16.509 5.675 11.765 1.00 0.00 N ATOM 534 NH2 ARG A 35 -15.893 6.555 13.754 1.00 0.00 N ATOM 0 H ARG A 35 -10.492 7.970 10.770 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.876 8.106 13.030 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.924 6.917 14.161 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.145 8.497 13.436 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.954 7.375 11.315 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.805 5.820 12.108 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.388 6.621 13.915 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.576 8.134 13.052 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.181 6.195 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.282 5.419 10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.445 5.500 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.184 6.987 14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.828 6.381 14.122 1.00 0.00 H new ATOM 548 N ARG A 36 -9.545 4.945 12.250 1.00 0.00 N ATOM 549 CA ARG A 36 -9.020 3.564 12.431 1.00 0.00 C ATOM 550 C ARG A 36 -7.931 3.303 11.392 1.00 0.00 C ATOM 551 O ARG A 36 -7.167 4.180 11.056 1.00 0.00 O ATOM 552 CB ARG A 36 -10.149 2.543 12.243 1.00 0.00 C ATOM 553 CG ARG A 36 -11.345 2.902 13.146 1.00 0.00 C ATOM 554 CD ARG A 36 -12.113 1.634 13.534 1.00 0.00 C ATOM 555 NE ARG A 36 -13.257 2.000 14.417 1.00 0.00 N ATOM 556 CZ ARG A 36 -14.211 1.138 14.641 1.00 0.00 C ATOM 557 NH1 ARG A 36 -15.216 1.462 15.409 1.00 0.00 N ATOM 558 NH2 ARG A 36 -14.159 -0.048 14.100 1.00 0.00 N ATOM 0 H ARG A 36 -10.387 5.017 11.678 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.611 3.465 13.436 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.464 2.526 11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.789 1.543 12.484 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.993 3.412 14.043 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.008 3.593 12.626 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.477 1.128 12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.451 0.937 14.048 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.294 2.925 14.846 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.255 2.389 15.834 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.962 0.789 15.584 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.373 -0.302 13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.905 -0.722 14.275 1.00 0.00 H new ATOM 572 N SER A 37 -7.873 2.103 10.877 1.00 0.00 N ATOM 573 CA SER A 37 -6.850 1.750 9.843 1.00 0.00 C ATOM 574 C SER A 37 -5.431 2.017 10.362 1.00 0.00 C ATOM 575 O SER A 37 -4.673 1.097 10.600 1.00 0.00 O ATOM 576 CB SER A 37 -7.099 2.558 8.570 1.00 0.00 C ATOM 577 OG SER A 37 -5.932 2.528 7.759 1.00 0.00 O ATOM 0 H SER A 37 -8.500 1.340 11.132 1.00 0.00 H new ATOM 0 HA SER A 37 -6.939 0.687 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.947 2.145 8.023 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.354 3.587 8.823 1.00 0.00 H new ATOM 0 HG SER A 37 -6.170 2.752 6.835 1.00 0.00 H new ATOM 583 N ARG A 38 -5.054 3.256 10.540 1.00 0.00 N ATOM 584 CA ARG A 38 -3.678 3.537 11.039 1.00 0.00 C ATOM 585 C ARG A 38 -3.495 2.840 12.385 1.00 0.00 C ATOM 586 O ARG A 38 -2.398 2.711 12.889 1.00 0.00 O ATOM 587 CB ARG A 38 -3.475 5.047 11.206 1.00 0.00 C ATOM 588 CG ARG A 38 -4.653 5.651 11.980 1.00 0.00 C ATOM 589 CD ARG A 38 -4.252 7.013 12.554 1.00 0.00 C ATOM 590 NE ARG A 38 -5.476 7.761 12.956 1.00 0.00 N ATOM 591 CZ ARG A 38 -5.378 8.806 13.731 1.00 0.00 C ATOM 592 NH1 ARG A 38 -6.451 9.460 14.083 1.00 0.00 N ATOM 593 NH2 ARG A 38 -4.207 9.198 14.153 1.00 0.00 N ATOM 0 H ARG A 38 -5.633 4.077 10.363 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.945 3.165 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.543 5.241 11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.390 5.521 10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.514 5.763 11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.953 4.981 12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.596 6.879 13.414 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.692 7.582 11.812 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.391 7.456 12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.366 9.154 13.752 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.375 10.277 14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.368 8.687 13.877 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.130 10.015 14.759 1.00 0.00 H new ATOM 607 N GLY A 39 -4.561 2.371 12.965 1.00 0.00 N ATOM 608 CA GLY A 39 -4.444 1.661 14.266 1.00 0.00 C ATOM 609 C GLY A 39 -4.049 0.209 13.993 1.00 0.00 C ATOM 610 O GLY A 39 -3.319 -0.401 14.748 1.00 0.00 O ATOM 0 H GLY A 39 -5.508 2.448 12.595 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.697 2.145 14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.390 1.701 14.806 1.00 0.00 H new ATOM 614 N ILE A 40 -4.541 -0.350 12.913 1.00 0.00 N ATOM 615 CA ILE A 40 -4.219 -1.770 12.563 1.00 0.00 C ATOM 616 C ILE A 40 -3.126 -1.808 11.469 1.00 0.00 C ATOM 617 O ILE A 40 -2.147 -2.517 11.591 1.00 0.00 O ATOM 618 CB ILE A 40 -5.532 -2.457 12.096 1.00 0.00 C ATOM 619 CG1 ILE A 40 -5.560 -3.989 12.404 1.00 0.00 C ATOM 620 CG2 ILE A 40 -5.777 -2.224 10.600 1.00 0.00 C ATOM 621 CD1 ILE A 40 -4.170 -4.659 12.333 1.00 0.00 C ATOM 0 H ILE A 40 -5.158 0.122 12.252 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.825 -2.307 13.426 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.334 -1.993 12.670 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.978 -4.144 13.399 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.228 -4.481 11.697 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.703 -2.716 10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.856 -1.154 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.946 -2.636 10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.266 -5.721 12.558 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.758 -4.536 11.332 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.504 -4.193 13.059 1.00 0.00 H new ATOM 633 N VAL A 41 -3.289 -1.075 10.391 1.00 0.00 N ATOM 634 CA VAL A 41 -2.261 -1.127 9.301 1.00 0.00 C ATOM 635 C VAL A 41 -0.946 -0.474 9.743 1.00 0.00 C ATOM 636 O VAL A 41 0.070 -1.126 9.834 1.00 0.00 O ATOM 637 CB VAL A 41 -2.778 -0.401 8.043 1.00 0.00 C ATOM 638 CG1 VAL A 41 -2.008 -0.897 6.812 1.00 0.00 C ATOM 639 CG2 VAL A 41 -4.271 -0.684 7.849 1.00 0.00 C ATOM 0 H VAL A 41 -4.078 -0.451 10.220 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.077 -2.178 9.076 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.627 0.671 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.374 -0.384 5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.946 -0.690 6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.157 -1.971 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.627 -0.167 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.426 -1.757 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.824 -0.330 8.719 1.00 0.00 H new ATOM 649 N GLU A 42 -0.943 0.806 9.995 1.00 0.00 N ATOM 650 CA GLU A 42 0.330 1.478 10.394 1.00 0.00 C ATOM 651 C GLU A 42 0.900 0.836 11.662 1.00 0.00 C ATOM 652 O GLU A 42 2.074 0.536 11.736 1.00 0.00 O ATOM 653 CB GLU A 42 0.079 2.968 10.634 1.00 0.00 C ATOM 654 CG GLU A 42 -0.353 3.630 9.324 1.00 0.00 C ATOM 655 CD GLU A 42 0.844 3.717 8.376 1.00 0.00 C ATOM 656 OE1 GLU A 42 1.947 3.443 8.819 1.00 0.00 O ATOM 657 OE2 GLU A 42 0.637 4.057 7.222 1.00 0.00 O ATOM 0 H GLU A 42 -1.760 1.414 9.943 1.00 0.00 H new ATOM 0 HA GLU A 42 1.054 1.360 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.693 3.100 11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.983 3.444 11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.155 3.055 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.747 4.627 9.521 1.00 0.00 H new ATOM 664 N GLN A 43 0.095 0.622 12.663 1.00 0.00 N ATOM 665 CA GLN A 43 0.627 0.002 13.911 1.00 0.00 C ATOM 666 C GLN A 43 1.451 -1.242 13.556 1.00 0.00 C ATOM 667 O GLN A 43 2.569 -1.405 14.002 1.00 0.00 O ATOM 668 CB GLN A 43 -0.535 -0.393 14.824 1.00 0.00 C ATOM 669 CG GLN A 43 0.013 -0.928 16.151 1.00 0.00 C ATOM 670 CD GLN A 43 -1.104 -0.942 17.197 1.00 0.00 C ATOM 671 OE1 GLN A 43 -2.130 -1.730 17.028 1.00 0.00 O flip ATOM 672 NE2 GLN A 43 -1.041 -0.230 18.179 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.900 0.846 12.674 1.00 0.00 H new ATOM 0 HA GLN A 43 1.263 0.720 14.429 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.177 0.469 15.005 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.149 -1.152 14.340 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.409 -1.934 16.014 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.839 -0.304 16.494 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.239 0.386 18.312 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.790 -0.248 18.871 1.00 0.00 H new ATOM 681 N CYS A 44 0.907 -2.121 12.757 1.00 0.00 N ATOM 682 CA CYS A 44 1.650 -3.351 12.372 1.00 0.00 C ATOM 683 C CYS A 44 2.618 -3.037 11.219 1.00 0.00 C ATOM 684 O CYS A 44 3.799 -3.307 11.291 1.00 0.00 O ATOM 685 CB CYS A 44 0.633 -4.412 11.952 1.00 0.00 C ATOM 686 SG CYS A 44 -0.321 -4.915 13.404 1.00 0.00 S ATOM 0 H CYS A 44 -0.026 -2.037 12.353 1.00 0.00 H new ATOM 0 HA CYS A 44 2.238 -3.721 13.212 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.031 -4.015 11.184 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.143 -5.273 11.519 1.00 0.00 H new ATOM 691 N CYS A 45 2.126 -2.467 10.160 1.00 0.00 N ATOM 692 CA CYS A 45 3.009 -2.122 9.003 1.00 0.00 C ATOM 693 C CYS A 45 4.102 -1.150 9.452 1.00 0.00 C ATOM 694 O CYS A 45 5.271 -1.357 9.198 1.00 0.00 O ATOM 695 CB CYS A 45 2.166 -1.461 7.910 1.00 0.00 C ATOM 696 SG CYS A 45 3.213 -1.039 6.490 1.00 0.00 S ATOM 0 H CYS A 45 1.143 -2.221 10.040 1.00 0.00 H new ATOM 0 HA CYS A 45 3.473 -3.031 8.620 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.368 -2.135 7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.689 -0.562 8.301 1.00 0.00 H new ATOM 701 N ARG A 46 3.734 -0.084 10.104 1.00 0.00 N ATOM 702 CA ARG A 46 4.754 0.904 10.552 1.00 0.00 C ATOM 703 C ARG A 46 5.631 0.292 11.658 1.00 0.00 C ATOM 704 O ARG A 46 6.813 0.560 11.734 1.00 0.00 O ATOM 705 CB ARG A 46 4.034 2.161 11.071 1.00 0.00 C ATOM 706 CG ARG A 46 4.893 3.408 10.823 1.00 0.00 C ATOM 707 CD ARG A 46 6.241 3.282 11.546 1.00 0.00 C ATOM 708 NE ARG A 46 6.778 4.644 11.824 1.00 0.00 N ATOM 709 CZ ARG A 46 7.758 4.799 12.673 1.00 0.00 C ATOM 710 NH1 ARG A 46 8.224 5.993 12.919 1.00 0.00 N ATOM 711 NH2 ARG A 46 8.273 3.762 13.275 1.00 0.00 N ATOM 0 H ARG A 46 2.770 0.146 10.346 1.00 0.00 H new ATOM 0 HA ARG A 46 5.399 1.175 9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.071 2.269 10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.830 2.058 12.137 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.058 3.537 9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.367 4.296 11.174 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.117 2.730 12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.945 2.719 10.933 1.00 0.00 H new ATOM 0 HE ARG A 46 6.380 5.455 11.351 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.823 6.804 12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.989 6.115 13.582 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.910 2.828 13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.038 3.885 13.938 1.00 0.00 H new ATOM 725 N SER A 47 5.065 -0.524 12.518 1.00 0.00 N ATOM 726 CA SER A 47 5.876 -1.145 13.618 1.00 0.00 C ATOM 727 C SER A 47 5.509 -2.621 13.753 1.00 0.00 C ATOM 728 O SER A 47 4.390 -3.011 13.512 1.00 0.00 O ATOM 729 CB SER A 47 5.579 -0.428 14.935 1.00 0.00 C ATOM 730 OG SER A 47 6.112 0.889 14.883 1.00 0.00 O ATOM 0 H SER A 47 4.079 -0.787 12.506 1.00 0.00 H new ATOM 0 HA SER A 47 6.936 -1.054 13.382 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.503 -0.391 15.108 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.017 -0.977 15.768 1.00 0.00 H new ATOM 0 HG SER A 47 5.922 1.352 15.725 1.00 0.00 H new ATOM 736 N ILE A 48 6.439 -3.448 14.141 1.00 0.00 N ATOM 737 CA ILE A 48 6.126 -4.898 14.283 1.00 0.00 C ATOM 738 C ILE A 48 5.169 -5.103 15.459 1.00 0.00 C ATOM 739 O ILE A 48 5.572 -5.133 16.605 1.00 0.00 O ATOM 740 CB ILE A 48 7.420 -5.678 14.538 1.00 0.00 C ATOM 741 CG1 ILE A 48 8.432 -5.366 13.432 1.00 0.00 C ATOM 742 CG2 ILE A 48 7.122 -7.179 14.540 1.00 0.00 C ATOM 743 CD1 ILE A 48 9.784 -5.984 13.790 1.00 0.00 C ATOM 0 H ILE A 48 7.399 -3.185 14.365 1.00 0.00 H new ATOM 0 HA ILE A 48 5.658 -5.258 13.367 1.00 0.00 H new ATOM 0 HB ILE A 48 7.832 -5.386 15.504 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.080 -5.762 12.480 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.534 -4.288 13.311 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.043 -7.733 14.721 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.402 -7.406 15.326 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.709 -7.469 13.574 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.505 -5.762 13.003 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.136 -5.567 14.733 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.676 -7.064 13.889 1.00 0.00 H new ATOM 755 N CYS A 49 3.900 -5.249 15.181 1.00 0.00 N ATOM 756 CA CYS A 49 2.909 -5.457 16.275 1.00 0.00 C ATOM 757 C CYS A 49 2.871 -6.944 16.638 1.00 0.00 C ATOM 758 O CYS A 49 2.929 -7.802 15.780 1.00 0.00 O ATOM 759 CB CYS A 49 1.524 -5.001 15.801 1.00 0.00 C ATOM 760 SG CYS A 49 0.959 -6.072 14.456 1.00 0.00 S ATOM 0 H CYS A 49 3.507 -5.233 14.240 1.00 0.00 H new ATOM 0 HA CYS A 49 3.195 -4.876 17.152 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.816 -5.036 16.629 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.567 -3.966 15.462 1.00 0.00 H new ATOM 765 N SER A 50 2.782 -7.257 17.903 1.00 0.00 N ATOM 766 CA SER A 50 2.751 -8.689 18.316 1.00 0.00 C ATOM 767 C SER A 50 1.407 -9.310 17.933 1.00 0.00 C ATOM 768 O SER A 50 0.433 -8.619 17.706 1.00 0.00 O ATOM 769 CB SER A 50 2.942 -8.785 19.831 1.00 0.00 C ATOM 770 OG SER A 50 4.000 -7.922 20.226 1.00 0.00 O ATOM 0 H SER A 50 2.729 -6.583 18.667 1.00 0.00 H new ATOM 0 HA SER A 50 3.553 -9.227 17.810 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.021 -8.508 20.344 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.169 -9.812 20.116 1.00 0.00 H new ATOM 0 HG SER A 50 4.124 -7.980 21.196 1.00 0.00 H new ATOM 776 N LEU A 51 1.347 -10.612 17.863 1.00 0.00 N ATOM 777 CA LEU A 51 0.067 -11.284 17.499 1.00 0.00 C ATOM 778 C LEU A 51 -1.038 -10.803 18.439 1.00 0.00 C ATOM 779 O LEU A 51 -2.188 -10.705 18.063 1.00 0.00 O ATOM 780 CB LEU A 51 0.223 -12.801 17.638 1.00 0.00 C ATOM 781 CG LEU A 51 1.490 -13.265 16.914 1.00 0.00 C ATOM 782 CD1 LEU A 51 1.640 -14.779 17.082 1.00 0.00 C ATOM 783 CD2 LEU A 51 1.390 -12.921 15.422 1.00 0.00 C ATOM 0 H LEU A 51 2.130 -11.240 18.042 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.191 -11.040 16.468 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.275 -13.075 18.692 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.649 -13.304 17.221 1.00 0.00 H new ATOM 0 HG LEU A 51 2.358 -12.761 17.340 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.541 -15.115 16.568 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.715 -15.022 18.142 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.771 -15.280 16.656 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.294 -13.253 14.911 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.524 -13.422 14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.281 -11.843 15.304 1.00 0.00 H new ATOM 795 N TYR A 52 -0.698 -10.506 19.663 1.00 0.00 N ATOM 796 CA TYR A 52 -1.729 -10.033 20.631 1.00 0.00 C ATOM 797 C TYR A 52 -2.561 -8.919 19.982 1.00 0.00 C ATOM 798 O TYR A 52 -3.774 -8.916 20.048 1.00 0.00 O ATOM 799 CB TYR A 52 -1.030 -9.505 21.898 1.00 0.00 C ATOM 800 CG TYR A 52 -1.932 -9.672 23.100 1.00 0.00 C ATOM 801 CD1 TYR A 52 -2.940 -8.738 23.346 1.00 0.00 C ATOM 802 CD2 TYR A 52 -1.758 -10.760 23.965 1.00 0.00 C ATOM 803 CE1 TYR A 52 -3.778 -8.886 24.457 1.00 0.00 C ATOM 804 CE2 TYR A 52 -2.596 -10.911 25.076 1.00 0.00 C ATOM 805 CZ TYR A 52 -3.607 -9.974 25.322 1.00 0.00 C ATOM 806 OH TYR A 52 -4.432 -10.122 26.418 1.00 0.00 O ATOM 0 H TYR A 52 0.249 -10.570 20.035 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.389 -10.856 20.904 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.096 -10.043 22.058 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.774 -8.453 21.770 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.073 -7.900 22.678 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.978 -11.482 23.775 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.556 -8.162 24.647 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.463 -11.750 25.743 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.178 -10.930 26.912 1.00 0.00 H new ATOM 816 N GLN A 53 -1.915 -7.976 19.351 1.00 0.00 N ATOM 817 CA GLN A 53 -2.664 -6.867 18.694 1.00 0.00 C ATOM 818 C GLN A 53 -3.417 -7.414 17.482 1.00 0.00 C ATOM 819 O GLN A 53 -4.599 -7.182 17.321 1.00 0.00 O ATOM 820 CB GLN A 53 -1.682 -5.785 18.246 1.00 0.00 C ATOM 821 CG GLN A 53 -0.779 -5.403 19.419 1.00 0.00 C ATOM 822 CD GLN A 53 0.140 -4.253 19.005 1.00 0.00 C ATOM 823 OE1 GLN A 53 -0.364 -3.222 18.385 1.00 0.00 O flip ATOM 824 NE2 GLN A 53 1.330 -4.294 19.247 1.00 0.00 N flip ATOM 0 H GLN A 53 -0.900 -7.926 19.262 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.376 -6.437 19.399 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.080 -6.147 17.412 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.225 -4.909 17.891 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.384 -5.108 20.276 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.185 -6.263 19.729 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.724 -5.100 19.732 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.935 -3.522 18.965 1.00 0.00 H new ATOM 833 N LEU A 54 -2.750 -8.144 16.630 1.00 0.00 N ATOM 834 CA LEU A 54 -3.449 -8.705 15.443 1.00 0.00 C ATOM 835 C LEU A 54 -4.634 -9.527 15.922 1.00 0.00 C ATOM 836 O LEU A 54 -5.672 -9.586 15.293 1.00 0.00 O ATOM 837 CB LEU A 54 -2.498 -9.587 14.653 1.00 0.00 C ATOM 838 CG LEU A 54 -1.350 -8.733 14.117 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.338 -9.642 13.411 1.00 0.00 C ATOM 840 CD2 LEU A 54 -1.886 -7.678 13.130 1.00 0.00 C ATOM 0 H LEU A 54 -1.759 -8.374 16.705 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.793 -7.896 14.799 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.109 -10.383 15.288 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.027 -10.066 13.829 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.865 -8.217 14.946 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.485 -9.040 13.025 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.049 -10.375 14.119 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.827 -10.159 12.585 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.058 -7.076 12.756 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.378 -8.177 12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.602 -7.033 13.640 1.00 0.00 H new ATOM 852 N GLU A 55 -4.478 -10.153 17.046 1.00 0.00 N ATOM 853 CA GLU A 55 -5.579 -10.975 17.611 1.00 0.00 C ATOM 854 C GLU A 55 -6.659 -10.049 18.176 1.00 0.00 C ATOM 855 O GLU A 55 -7.722 -10.483 18.573 1.00 0.00 O ATOM 856 CB GLU A 55 -5.029 -11.867 18.728 1.00 0.00 C ATOM 857 CG GLU A 55 -5.979 -13.043 18.973 1.00 0.00 C ATOM 858 CD GLU A 55 -5.617 -13.726 20.293 1.00 0.00 C ATOM 859 OE1 GLU A 55 -6.414 -14.520 20.764 1.00 0.00 O ATOM 860 OE2 GLU A 55 -4.549 -13.443 20.811 1.00 0.00 O ATOM 0 H GLU A 55 -3.626 -10.132 17.606 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.009 -11.602 16.829 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.041 -12.237 18.456 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.911 -11.287 19.643 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.010 -12.691 19.005 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.911 -13.756 18.152 1.00 0.00 H new ATOM 867 N ASN A 56 -6.376 -8.780 18.239 1.00 0.00 N ATOM 868 CA ASN A 56 -7.364 -7.817 18.807 1.00 0.00 C ATOM 869 C ASN A 56 -8.445 -7.470 17.777 1.00 0.00 C ATOM 870 O ASN A 56 -9.520 -7.023 18.125 1.00 0.00 O ATOM 871 CB ASN A 56 -6.620 -6.540 19.213 1.00 0.00 C ATOM 872 CG ASN A 56 -7.465 -5.733 20.199 1.00 0.00 C ATOM 873 OD1 ASN A 56 -8.677 -5.725 20.116 1.00 0.00 O ATOM 874 ND2 ASN A 56 -6.869 -5.047 21.135 1.00 0.00 N ATOM 0 H ASN A 56 -5.501 -8.364 17.921 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.849 -8.271 19.671 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.662 -6.796 19.667 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.404 -5.939 18.330 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.421 -4.503 21.798 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.851 -5.055 21.203 1.00 0.00 H new ATOM 881 N TYR A 57 -8.165 -7.646 16.514 1.00 0.00 N ATOM 882 CA TYR A 57 -9.164 -7.301 15.456 1.00 0.00 C ATOM 883 C TYR A 57 -9.882 -8.563 14.971 1.00 0.00 C ATOM 884 O TYR A 57 -10.826 -8.496 14.209 1.00 0.00 O ATOM 885 CB TYR A 57 -8.413 -6.649 14.297 1.00 0.00 C ATOM 886 CG TYR A 57 -7.358 -5.729 14.867 1.00 0.00 C ATOM 887 CD1 TYR A 57 -7.686 -4.435 15.291 1.00 0.00 C ATOM 888 CD2 TYR A 57 -6.047 -6.182 14.971 1.00 0.00 C ATOM 889 CE1 TYR A 57 -6.695 -3.599 15.818 1.00 0.00 C ATOM 890 CE2 TYR A 57 -5.051 -5.350 15.497 1.00 0.00 C ATOM 891 CZ TYR A 57 -5.376 -4.056 15.922 1.00 0.00 C ATOM 892 OH TYR A 57 -4.398 -3.232 16.440 1.00 0.00 O ATOM 0 H TYR A 57 -7.281 -8.017 16.165 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.914 -6.619 15.856 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.952 -7.411 13.668 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.103 -6.089 13.666 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.704 -4.082 15.211 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.796 -7.180 14.644 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.948 -2.601 16.144 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.034 -5.706 15.575 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.539 -3.705 16.442 1.00 0.00 H new ATOM 902 N CYS A 58 -9.445 -9.708 15.406 1.00 0.00 N ATOM 903 CA CYS A 58 -10.100 -10.968 14.971 1.00 0.00 C ATOM 904 C CYS A 58 -11.561 -10.964 15.409 1.00 0.00 C ATOM 905 O CYS A 58 -11.887 -11.266 16.541 1.00 0.00 O ATOM 906 CB CYS A 58 -9.366 -12.155 15.589 1.00 0.00 C ATOM 907 SG CYS A 58 -7.679 -12.207 14.939 1.00 0.00 S ATOM 0 H CYS A 58 -8.660 -9.826 16.046 1.00 0.00 H new ATOM 0 HA CYS A 58 -10.060 -11.049 13.885 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -9.348 -12.063 16.675 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.888 -13.083 15.356 1.00 0.00 H new ATOM 912 N GLY A 59 -12.445 -10.621 14.513 1.00 0.00 N ATOM 913 CA GLY A 59 -13.893 -10.591 14.863 1.00 0.00 C ATOM 914 C GLY A 59 -14.678 -9.921 13.733 1.00 0.00 C ATOM 915 O GLY A 59 -15.400 -10.623 13.043 1.00 0.00 O ATOM 916 OXT GLY A 59 -14.544 -8.719 13.577 1.00 0.00 O ATOM 0 H GLY A 59 -12.226 -10.360 13.552 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.260 -11.605 15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.041 -10.047 15.796 1.00 0.00 H new TER 920 GLY A 59