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= -8.52! C(o=-11!,f=-9.4!) USER MOD Set 1.2: A 53 GLN : amide:sc= -2.88! K(o=-11!,f=-9.8) USER MOD Set 2.1: A 4 GLN : amide:sc= -2.72! K(o=-3.7!,f=-1.9) USER MOD Set 2.2: A 10 HIS : no HE2:sc= -0.935 K(o=-3.7,f=-12!) USER MOD Single : A 1 PHE N :NH3+ -122:sc= -0.0964! (180deg=-0.689!) USER MOD Single : A 3 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.26) USER MOD Single : A 5 HIS : no HD1:sc= -3.17! K(o=-3.2!,f=0.022) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -140:sc= 0 USER MOD Single : A 27 THR OG1 : rot -140:sc= -0.838 USER MOD Single : A 30 THR OG1 : rot 150:sc= -0.0498 USER MOD Single : A 34 SER OG : rot 21:sc= 0.402! USER MOD Single : A 37 SER OG : rot 110:sc= -1.48 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= -0.748 X(o=-0.75,f=-0.97!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 3.731 -16.631 12.477 1.00 0.00 N ATOM 2 CA PHE A 1 4.835 -16.176 11.585 1.00 0.00 C ATOM 3 C PHE A 1 5.936 -15.529 12.434 1.00 0.00 C ATOM 4 O PHE A 1 5.781 -15.328 13.622 1.00 0.00 O ATOM 5 CB PHE A 1 4.290 -15.172 10.549 1.00 0.00 C ATOM 6 CG PHE A 1 3.090 -14.444 11.116 1.00 0.00 C ATOM 7 CD1 PHE A 1 1.880 -15.125 11.289 1.00 0.00 C ATOM 8 CD2 PHE A 1 3.188 -13.091 11.460 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.766 -14.454 11.807 1.00 0.00 C ATOM 10 CE2 PHE A 1 2.074 -12.416 11.978 1.00 0.00 C ATOM 11 CZ PHE A 1 0.861 -13.101 12.151 1.00 0.00 C ATOM 0 H1 PHE A 1 3.584 -17.653 12.354 1.00 0.00 H new ATOM 0 H2 PHE A 1 3.981 -16.434 13.467 1.00 0.00 H new ATOM 0 H3 PHE A 1 2.856 -16.124 12.233 1.00 0.00 H new ATOM 0 HA PHE A 1 5.253 -17.029 11.051 1.00 0.00 H new ATOM 0 HB2 PHE A 1 5.067 -14.456 10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.010 -15.696 9.635 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.805 -16.169 11.023 1.00 0.00 H new ATOM 0 HD2 PHE A 1 4.123 -12.567 11.326 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.167 -14.981 11.941 1.00 0.00 H new ATOM 0 HE2 PHE A 1 2.149 -11.372 12.243 1.00 0.00 H new ATOM 0 HZ PHE A 1 0.001 -12.584 12.550 1.00 0.00 H new ATOM 23 N VAL A 2 7.051 -15.212 11.832 1.00 0.00 N ATOM 24 CA VAL A 2 8.168 -14.590 12.597 1.00 0.00 C ATOM 25 C VAL A 2 7.714 -13.251 13.184 1.00 0.00 C ATOM 26 O VAL A 2 6.598 -13.110 13.643 1.00 0.00 O ATOM 27 CB VAL A 2 9.362 -14.371 11.664 1.00 0.00 C ATOM 28 CG1 VAL A 2 9.851 -15.719 11.148 1.00 0.00 C ATOM 29 CG2 VAL A 2 8.936 -13.500 10.479 1.00 0.00 C ATOM 0 H VAL A 2 7.236 -15.358 10.840 1.00 0.00 H new ATOM 0 HA VAL A 2 8.462 -15.252 13.412 1.00 0.00 H new ATOM 0 HB VAL A 2 10.163 -13.873 12.211 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.701 -15.567 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.155 -16.342 11.989 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.047 -16.213 10.602 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.788 -13.345 9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.135 -13.997 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.581 -12.536 10.845 1.00 0.00 H new ATOM 39 N ASN A 3 8.576 -12.267 13.174 1.00 0.00 N ATOM 40 CA ASN A 3 8.212 -10.927 13.732 1.00 0.00 C ATOM 41 C ASN A 3 8.743 -9.832 12.807 1.00 0.00 C ATOM 42 O ASN A 3 9.935 -9.618 12.700 1.00 0.00 O ATOM 43 CB ASN A 3 8.839 -10.769 15.119 1.00 0.00 C ATOM 44 CG ASN A 3 8.608 -12.045 15.931 1.00 0.00 C ATOM 45 OD1 ASN A 3 7.575 -12.207 16.549 1.00 0.00 O ATOM 46 ND2 ASN A 3 9.535 -12.964 15.955 1.00 0.00 N ATOM 0 H ASN A 3 9.523 -12.333 12.801 1.00 0.00 H new ATOM 0 HA ASN A 3 7.128 -10.845 13.810 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.907 -10.572 15.027 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.400 -9.914 15.633 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.392 -13.819 16.493 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.402 -12.827 15.436 1.00 0.00 H new ATOM 53 N GLN A 4 7.867 -9.134 12.139 1.00 0.00 N ATOM 54 CA GLN A 4 8.314 -8.049 11.220 1.00 0.00 C ATOM 55 C GLN A 4 7.169 -7.056 11.019 1.00 0.00 C ATOM 56 O GLN A 4 6.087 -7.229 11.545 1.00 0.00 O ATOM 57 CB GLN A 4 8.725 -8.648 9.871 1.00 0.00 C ATOM 58 CG GLN A 4 7.644 -9.615 9.379 1.00 0.00 C ATOM 59 CD GLN A 4 8.110 -10.284 8.085 1.00 0.00 C ATOM 60 OE1 GLN A 4 8.266 -9.632 7.072 1.00 0.00 O ATOM 61 NE2 GLN A 4 8.341 -11.568 8.076 1.00 0.00 N ATOM 0 H GLN A 4 6.857 -9.269 12.190 1.00 0.00 H new ATOM 0 HA GLN A 4 9.171 -7.534 11.654 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.874 -7.853 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.676 -9.172 9.970 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.443 -10.370 10.139 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.711 -9.078 9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.210 -12.116 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.653 -12.024 7.219 1.00 0.00 H new ATOM 70 N HIS A 5 7.396 -6.015 10.267 1.00 0.00 N ATOM 71 CA HIS A 5 6.316 -5.008 10.040 1.00 0.00 C ATOM 72 C HIS A 5 5.328 -5.548 8.996 1.00 0.00 C ATOM 73 O HIS A 5 5.674 -5.774 7.854 1.00 0.00 O ATOM 74 CB HIS A 5 6.928 -3.662 9.561 1.00 0.00 C ATOM 75 CG HIS A 5 8.372 -3.844 9.190 1.00 0.00 C ATOM 76 ND1 HIS A 5 8.838 -3.599 7.909 1.00 0.00 N ATOM 77 CD2 HIS A 5 9.469 -4.223 9.925 1.00 0.00 C ATOM 78 CE1 HIS A 5 10.161 -3.828 7.909 1.00 0.00 C ATOM 79 NE2 HIS A 5 10.592 -4.210 9.111 1.00 0.00 N ATOM 0 H HIS A 5 8.280 -5.816 9.799 1.00 0.00 H new ATOM 0 HA HIS A 5 5.786 -4.829 10.976 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.370 -3.287 8.703 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.840 -2.915 10.350 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.459 -4.489 10.972 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.797 -3.717 7.043 1.00 0.00 H new ATOM 0 HE2 HIS A 5 11.549 -4.444 9.377 1.00 0.00 H new ATOM 87 N LEU A 6 4.099 -5.747 9.387 1.00 0.00 N ATOM 88 CA LEU A 6 3.073 -6.261 8.432 1.00 0.00 C ATOM 89 C LEU A 6 2.453 -5.073 7.688 1.00 0.00 C ATOM 90 O LEU A 6 1.812 -4.238 8.289 1.00 0.00 O ATOM 91 CB LEU A 6 1.968 -6.978 9.231 1.00 0.00 C ATOM 92 CG LEU A 6 2.181 -8.504 9.257 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.652 -8.848 9.551 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.290 -9.107 10.346 1.00 0.00 C ATOM 0 H LEU A 6 3.758 -5.575 10.333 1.00 0.00 H new ATOM 0 HA LEU A 6 3.531 -6.950 7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.951 -6.596 10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.997 -6.754 8.790 1.00 0.00 H new ATOM 0 HG LEU A 6 1.921 -8.915 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.777 -9.931 9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.288 -8.419 8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.935 -8.438 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.431 -10.187 10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.557 -8.680 11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.246 -8.883 10.127 1.00 0.00 H new ATOM 106 N CYS A 7 2.619 -5.000 6.391 1.00 0.00 N ATOM 107 CA CYS A 7 2.026 -3.864 5.618 1.00 0.00 C ATOM 108 C CYS A 7 1.214 -4.391 4.436 1.00 0.00 C ATOM 109 O CYS A 7 1.700 -5.128 3.601 1.00 0.00 O ATOM 110 CB CYS A 7 3.155 -2.966 5.122 1.00 0.00 C ATOM 111 SG CYS A 7 4.078 -2.348 6.553 1.00 0.00 S ATOM 0 H CYS A 7 3.139 -5.677 5.833 1.00 0.00 H new ATOM 0 HA CYS A 7 1.357 -3.294 6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.816 -3.522 4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.750 -2.134 4.545 1.00 0.00 H new ATOM 116 N GLY A 8 -0.027 -3.993 4.366 1.00 0.00 N ATOM 117 CA GLY A 8 -0.910 -4.429 3.252 1.00 0.00 C ATOM 118 C GLY A 8 -1.100 -5.946 3.268 1.00 0.00 C ATOM 119 O GLY A 8 -1.316 -6.546 4.302 1.00 0.00 O ATOM 0 H GLY A 8 -0.471 -3.375 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.879 -3.936 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.478 -4.123 2.299 1.00 0.00 H new ATOM 123 N SER A 9 -1.040 -6.561 2.117 1.00 0.00 N ATOM 124 CA SER A 9 -1.235 -8.038 2.028 1.00 0.00 C ATOM 125 C SER A 9 -0.497 -8.747 3.165 1.00 0.00 C ATOM 126 O SER A 9 -0.961 -9.739 3.689 1.00 0.00 O ATOM 127 CB SER A 9 -0.696 -8.539 0.688 1.00 0.00 C ATOM 128 OG SER A 9 -1.153 -7.682 -0.351 1.00 0.00 O ATOM 0 H SER A 9 -0.862 -6.098 1.225 1.00 0.00 H new ATOM 0 HA SER A 9 -2.300 -8.257 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.394 -8.559 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.031 -9.560 0.507 1.00 0.00 H new ATOM 0 HG SER A 9 -0.808 -7.999 -1.212 1.00 0.00 H new ATOM 134 N HIS A 10 0.644 -8.255 3.556 1.00 0.00 N ATOM 135 CA HIS A 10 1.384 -8.924 4.658 1.00 0.00 C ATOM 136 C HIS A 10 0.496 -8.958 5.901 1.00 0.00 C ATOM 137 O HIS A 10 0.520 -9.900 6.667 1.00 0.00 O ATOM 138 CB HIS A 10 2.673 -8.153 4.956 1.00 0.00 C ATOM 139 CG HIS A 10 3.625 -9.032 5.720 1.00 0.00 C ATOM 140 ND1 HIS A 10 3.265 -10.293 6.174 1.00 0.00 N ATOM 141 CD2 HIS A 10 4.930 -8.850 6.112 1.00 0.00 C ATOM 142 CE1 HIS A 10 4.330 -10.817 6.805 1.00 0.00 C ATOM 143 NE2 HIS A 10 5.366 -9.979 6.794 1.00 0.00 N ATOM 0 H HIS A 10 1.092 -7.427 3.164 1.00 0.00 H new ATOM 0 HA HIS A 10 1.643 -9.942 4.366 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.135 -7.824 4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.447 -7.257 5.534 1.00 0.00 H new ATOM 0 HD1 HIS A 10 2.357 -10.741 6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.523 -7.968 5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.344 -11.795 7.263 1.00 0.00 H new ATOM 151 N LEU A 11 -0.294 -7.939 6.103 1.00 0.00 N ATOM 152 CA LEU A 11 -1.186 -7.920 7.293 1.00 0.00 C ATOM 153 C LEU A 11 -2.307 -8.929 7.083 1.00 0.00 C ATOM 154 O LEU A 11 -2.538 -9.795 7.904 1.00 0.00 O ATOM 155 CB LEU A 11 -1.759 -6.507 7.483 1.00 0.00 C ATOM 156 CG LEU A 11 -2.640 -6.411 8.744 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.990 -7.099 9.962 1.00 0.00 C ATOM 158 CD2 LEU A 11 -2.905 -4.930 9.080 1.00 0.00 C ATOM 0 H LEU A 11 -0.359 -7.122 5.496 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.626 -8.189 8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.941 -5.790 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.347 -6.232 6.607 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.576 -6.927 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.647 -7.005 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.829 -8.154 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.033 -6.624 10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.528 -4.865 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.957 -4.423 9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.417 -4.453 8.244 1.00 0.00 H new ATOM 170 N VAL A 12 -2.990 -8.845 5.982 1.00 0.00 N ATOM 171 CA VAL A 12 -4.073 -9.824 5.717 1.00 0.00 C ATOM 172 C VAL A 12 -3.461 -11.218 5.736 1.00 0.00 C ATOM 173 O VAL A 12 -3.846 -12.071 6.511 1.00 0.00 O ATOM 174 CB VAL A 12 -4.683 -9.541 4.334 1.00 0.00 C ATOM 175 CG1 VAL A 12 -5.693 -10.652 3.907 1.00 0.00 C ATOM 176 CG2 VAL A 12 -5.383 -8.181 4.389 1.00 0.00 C ATOM 0 H VAL A 12 -2.846 -8.143 5.256 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.856 -9.748 6.471 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.887 -9.533 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.101 -10.414 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.180 -11.613 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.504 -10.705 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.824 -7.959 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.167 -8.206 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.657 -7.408 4.643 1.00 0.00 H new ATOM 186 N GLU A 13 -2.512 -11.452 4.877 1.00 0.00 N ATOM 187 CA GLU A 13 -1.864 -12.790 4.823 1.00 0.00 C ATOM 188 C GLU A 13 -1.545 -13.269 6.234 1.00 0.00 C ATOM 189 O GLU A 13 -1.518 -14.448 6.494 1.00 0.00 O ATOM 190 CB GLU A 13 -0.573 -12.698 4.008 1.00 0.00 C ATOM 191 CG GLU A 13 -0.918 -12.383 2.551 1.00 0.00 C ATOM 192 CD GLU A 13 0.325 -11.862 1.826 1.00 0.00 C ATOM 193 OE1 GLU A 13 0.218 -11.567 0.647 1.00 0.00 O ATOM 194 OE2 GLU A 13 1.363 -11.768 2.461 1.00 0.00 O ATOM 0 H GLU A 13 -2.155 -10.771 4.206 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.543 -13.500 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.074 -11.922 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.023 -13.637 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.292 -13.278 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.714 -11.639 2.509 1.00 0.00 H new ATOM 201 N ALA A 14 -1.305 -12.368 7.150 1.00 0.00 N ATOM 202 CA ALA A 14 -0.990 -12.791 8.545 1.00 0.00 C ATOM 203 C ALA A 14 -2.294 -12.981 9.331 1.00 0.00 C ATOM 204 O ALA A 14 -2.585 -14.060 9.807 1.00 0.00 O ATOM 205 CB ALA A 14 -0.129 -11.708 9.200 1.00 0.00 C ATOM 0 H ALA A 14 -1.314 -11.360 6.993 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.447 -13.736 8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.110 -12.002 10.222 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.793 -11.584 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.677 -10.766 9.213 1.00 0.00 H new ATOM 211 N LEU A 15 -3.078 -11.944 9.475 1.00 0.00 N ATOM 212 CA LEU A 15 -4.358 -12.078 10.237 1.00 0.00 C ATOM 213 C LEU A 15 -5.101 -13.331 9.773 1.00 0.00 C ATOM 214 O LEU A 15 -5.736 -14.016 10.551 1.00 0.00 O ATOM 215 CB LEU A 15 -5.252 -10.856 9.978 1.00 0.00 C ATOM 216 CG LEU A 15 -4.769 -9.647 10.810 1.00 0.00 C ATOM 217 CD1 LEU A 15 -5.199 -8.332 10.140 1.00 0.00 C ATOM 218 CD2 LEU A 15 -5.386 -9.704 12.216 1.00 0.00 C ATOM 0 H LEU A 15 -2.890 -11.014 9.100 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.128 -12.149 11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.236 -10.605 8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.285 -11.092 10.235 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.682 -9.686 10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.852 -7.489 10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.765 -8.273 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.286 -8.300 10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.042 -8.849 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.473 -9.677 12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.081 -10.626 12.710 1.00 0.00 H new ATOM 230 N TYR A 16 -5.031 -13.629 8.508 1.00 0.00 N ATOM 231 CA TYR A 16 -5.736 -14.826 7.985 1.00 0.00 C ATOM 232 C TYR A 16 -5.348 -16.044 8.840 1.00 0.00 C ATOM 233 O TYR A 16 -6.180 -16.859 9.188 1.00 0.00 O ATOM 234 CB TYR A 16 -5.334 -15.008 6.508 1.00 0.00 C ATOM 235 CG TYR A 16 -5.372 -16.470 6.104 1.00 0.00 C ATOM 236 CD1 TYR A 16 -4.262 -17.053 5.479 1.00 0.00 C ATOM 237 CD2 TYR A 16 -6.511 -17.240 6.366 1.00 0.00 C ATOM 238 CE1 TYR A 16 -4.291 -18.402 5.116 1.00 0.00 C ATOM 239 CE2 TYR A 16 -6.541 -18.592 6.001 1.00 0.00 C ATOM 240 CZ TYR A 16 -5.430 -19.173 5.376 1.00 0.00 C ATOM 241 OH TYR A 16 -5.459 -20.505 5.018 1.00 0.00 O ATOM 0 H TYR A 16 -4.513 -13.092 7.812 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.819 -14.712 8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.008 -14.435 5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.332 -14.610 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.383 -16.459 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.367 -16.792 6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.434 -18.850 4.635 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.420 -19.186 6.201 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.323 -20.893 5.271 1.00 0.00 H new ATOM 251 N LEU A 17 -4.096 -16.166 9.186 1.00 0.00 N ATOM 252 CA LEU A 17 -3.658 -17.320 10.022 1.00 0.00 C ATOM 253 C LEU A 17 -4.082 -17.068 11.466 1.00 0.00 C ATOM 254 O LEU A 17 -4.707 -17.894 12.101 1.00 0.00 O ATOM 255 CB LEU A 17 -2.130 -17.448 9.975 1.00 0.00 C ATOM 256 CG LEU A 17 -1.667 -17.959 8.596 1.00 0.00 C ATOM 257 CD1 LEU A 17 -1.559 -16.792 7.615 1.00 0.00 C ATOM 258 CD2 LEU A 17 -0.286 -18.611 8.729 1.00 0.00 C ATOM 0 H LEU A 17 -3.355 -15.515 8.925 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.112 -18.235 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.673 -16.480 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.794 -18.133 10.754 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.394 -18.684 8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.231 -17.162 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.532 -16.313 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.836 -16.067 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.041 -18.972 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.428 -17.877 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.344 -19.448 9.425 1.00 0.00 H new ATOM 270 N VAL A 18 -3.738 -15.926 11.983 1.00 0.00 N ATOM 271 CA VAL A 18 -4.106 -15.591 13.387 1.00 0.00 C ATOM 272 C VAL A 18 -5.600 -15.856 13.593 1.00 0.00 C ATOM 273 O VAL A 18 -6.002 -16.559 14.499 1.00 0.00 O ATOM 274 CB VAL A 18 -3.820 -14.107 13.631 1.00 0.00 C ATOM 275 CG1 VAL A 18 -3.993 -13.778 15.107 1.00 0.00 C ATOM 276 CG2 VAL A 18 -2.386 -13.773 13.205 1.00 0.00 C ATOM 0 H VAL A 18 -3.213 -15.203 11.491 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.527 -16.202 14.080 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.522 -13.516 13.043 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.787 -12.720 15.271 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.016 -14.000 15.412 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.300 -14.378 15.697 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.191 -12.715 13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.685 -14.373 13.785 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.261 -13.993 12.145 1.00 0.00 H new ATOM 286 N CYS A 19 -6.422 -15.284 12.760 1.00 0.00 N ATOM 287 CA CYS A 19 -7.894 -15.472 12.888 1.00 0.00 C ATOM 288 C CYS A 19 -8.315 -16.814 12.292 1.00 0.00 C ATOM 289 O CYS A 19 -9.357 -17.347 12.619 1.00 0.00 O ATOM 290 CB CYS A 19 -8.585 -14.341 12.131 1.00 0.00 C ATOM 291 SG CYS A 19 -7.693 -12.817 12.477 1.00 0.00 S ATOM 0 H CYS A 19 -6.133 -14.686 11.986 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.176 -15.460 13.941 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.590 -14.546 11.060 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.626 -14.253 12.443 1.00 0.00 H new ATOM 296 N GLY A 20 -7.527 -17.362 11.412 1.00 0.00 N ATOM 297 CA GLY A 20 -7.910 -18.661 10.797 1.00 0.00 C ATOM 298 C GLY A 20 -9.323 -18.536 10.224 1.00 0.00 C ATOM 299 O GLY A 20 -9.561 -17.792 9.294 1.00 0.00 O ATOM 0 H GLY A 20 -6.641 -16.970 11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.205 -18.928 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.873 -19.457 11.541 1.00 0.00 H new ATOM 303 N GLU A 21 -10.265 -19.256 10.773 1.00 0.00 N ATOM 304 CA GLU A 21 -11.664 -19.174 10.259 1.00 0.00 C ATOM 305 C GLU A 21 -12.399 -18.004 10.917 1.00 0.00 C ATOM 306 O GLU A 21 -13.356 -17.482 10.378 1.00 0.00 O ATOM 307 CB GLU A 21 -12.400 -20.480 10.571 1.00 0.00 C ATOM 308 CG GLU A 21 -11.639 -21.656 9.954 1.00 0.00 C ATOM 309 CD GLU A 21 -12.186 -22.969 10.518 1.00 0.00 C ATOM 310 OE1 GLU A 21 -11.452 -23.943 10.513 1.00 0.00 O ATOM 311 OE2 GLU A 21 -13.329 -22.978 10.943 1.00 0.00 O ATOM 0 H GLU A 21 -10.127 -19.897 11.554 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.638 -19.016 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.484 -20.613 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.415 -20.442 10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.744 -21.642 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.575 -21.569 10.172 1.00 0.00 H new ATOM 318 N ARG A 22 -11.971 -17.586 12.076 1.00 0.00 N ATOM 319 CA ARG A 22 -12.662 -16.452 12.752 1.00 0.00 C ATOM 320 C ARG A 22 -12.715 -15.253 11.804 1.00 0.00 C ATOM 321 O ARG A 22 -13.691 -14.531 11.755 1.00 0.00 O ATOM 322 CB ARG A 22 -11.899 -16.064 14.022 1.00 0.00 C ATOM 323 CG ARG A 22 -11.953 -17.218 15.029 1.00 0.00 C ATOM 324 CD ARG A 22 -11.561 -16.708 16.418 1.00 0.00 C ATOM 325 NE ARG A 22 -12.491 -15.618 16.826 1.00 0.00 N ATOM 326 CZ ARG A 22 -12.544 -15.237 18.073 1.00 0.00 C ATOM 327 NH1 ARG A 22 -13.357 -14.281 18.429 1.00 0.00 N ATOM 328 NH2 ARG A 22 -11.784 -15.814 18.964 1.00 0.00 N ATOM 0 H ARG A 22 -11.177 -17.978 12.582 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.675 -16.754 13.019 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.863 -15.829 13.778 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.335 -15.166 14.460 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.956 -17.643 15.057 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.278 -18.016 14.720 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.599 -17.523 17.141 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.535 -16.340 16.406 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.087 -15.169 16.130 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.951 -13.831 17.733 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.398 -13.983 19.404 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.149 -16.562 18.685 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.825 -15.517 19.939 1.00 0.00 H new ATOM 342 N GLY A 23 -11.677 -15.040 11.044 1.00 0.00 N ATOM 343 CA GLY A 23 -11.676 -13.892 10.093 1.00 0.00 C ATOM 344 C GLY A 23 -11.469 -12.577 10.854 1.00 0.00 C ATOM 345 O GLY A 23 -11.660 -12.501 12.048 1.00 0.00 O ATOM 0 H GLY A 23 -10.831 -15.609 11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.885 -14.022 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.619 -13.861 9.548 1.00 0.00 H new ATOM 349 N PHE A 24 -11.091 -11.539 10.153 1.00 0.00 N ATOM 350 CA PHE A 24 -10.872 -10.201 10.791 1.00 0.00 C ATOM 351 C PHE A 24 -11.459 -9.142 9.857 1.00 0.00 C ATOM 352 O PHE A 24 -11.886 -9.455 8.763 1.00 0.00 O ATOM 353 CB PHE A 24 -9.379 -9.949 10.964 1.00 0.00 C ATOM 354 CG PHE A 24 -8.693 -10.113 9.633 1.00 0.00 C ATOM 355 CD1 PHE A 24 -8.528 -11.393 9.085 1.00 0.00 C ATOM 356 CD2 PHE A 24 -8.229 -8.987 8.944 1.00 0.00 C ATOM 357 CE1 PHE A 24 -7.898 -11.545 7.845 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.597 -9.140 7.704 1.00 0.00 C ATOM 359 CZ PHE A 24 -7.434 -10.420 7.158 1.00 0.00 C ATOM 0 H PHE A 24 -10.921 -11.561 9.147 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.349 -10.164 11.770 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.210 -8.945 11.353 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.962 -10.646 11.690 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.887 -12.260 9.619 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.358 -8.002 9.368 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.771 -12.530 7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.236 -8.274 7.170 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.947 -10.538 6.201 1.00 0.00 H new ATOM 369 N PHE A 25 -11.499 -7.897 10.269 1.00 0.00 N ATOM 370 CA PHE A 25 -12.077 -6.830 9.396 1.00 0.00 C ATOM 371 C PHE A 25 -10.957 -5.928 8.845 1.00 0.00 C ATOM 372 O PHE A 25 -10.179 -5.364 9.591 1.00 0.00 O ATOM 373 CB PHE A 25 -13.073 -6.015 10.240 1.00 0.00 C ATOM 374 CG PHE A 25 -12.366 -4.901 10.975 1.00 0.00 C ATOM 375 CD1 PHE A 25 -12.233 -3.665 10.356 1.00 0.00 C ATOM 376 CD2 PHE A 25 -11.849 -5.104 12.258 1.00 0.00 C ATOM 377 CE1 PHE A 25 -11.583 -2.613 11.011 1.00 0.00 C ATOM 378 CE2 PHE A 25 -11.196 -4.055 12.919 1.00 0.00 C ATOM 379 CZ PHE A 25 -11.064 -2.808 12.294 1.00 0.00 C ATOM 0 H PHE A 25 -11.155 -7.575 11.174 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.591 -7.272 8.543 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.847 -5.598 9.596 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.572 -6.669 10.955 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.633 -3.515 9.364 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.953 -6.066 12.738 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.483 -1.653 10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.795 -4.208 13.910 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.562 -1.999 12.803 1.00 0.00 H new ATOM 389 N TYR A 26 -10.889 -5.776 7.543 1.00 0.00 N ATOM 390 CA TYR A 26 -9.843 -4.898 6.917 1.00 0.00 C ATOM 391 C TYR A 26 -10.535 -3.622 6.410 1.00 0.00 C ATOM 392 O TYR A 26 -11.746 -3.538 6.414 1.00 0.00 O ATOM 393 CB TYR A 26 -9.169 -5.645 5.743 1.00 0.00 C ATOM 394 CG TYR A 26 -7.712 -5.230 5.625 1.00 0.00 C ATOM 395 CD1 TYR A 26 -6.828 -5.497 6.676 1.00 0.00 C ATOM 396 CD2 TYR A 26 -7.245 -4.585 4.470 1.00 0.00 C ATOM 397 CE1 TYR A 26 -5.484 -5.121 6.576 1.00 0.00 C ATOM 398 CE2 TYR A 26 -5.896 -4.207 4.375 1.00 0.00 C ATOM 399 CZ TYR A 26 -5.019 -4.476 5.428 1.00 0.00 C ATOM 400 OH TYR A 26 -3.692 -4.109 5.332 1.00 0.00 O ATOM 0 H TYR A 26 -11.519 -6.227 6.879 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.074 -4.641 7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.237 -6.721 5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.694 -5.425 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.184 -5.994 7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.923 -4.379 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.804 -5.330 7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.537 -3.708 3.487 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.626 -3.228 4.909 1.00 0.00 H new ATOM 410 N THR A 27 -9.782 -2.631 5.983 1.00 0.00 N ATOM 411 CA THR A 27 -10.408 -1.359 5.479 1.00 0.00 C ATOM 412 C THR A 27 -11.676 -1.697 4.648 1.00 0.00 C ATOM 413 O THR A 27 -11.553 -2.305 3.603 1.00 0.00 O ATOM 414 CB THR A 27 -9.409 -0.633 4.571 1.00 0.00 C ATOM 415 OG1 THR A 27 -10.119 0.191 3.656 1.00 0.00 O ATOM 416 CG2 THR A 27 -8.581 -1.655 3.799 1.00 0.00 C ATOM 0 H THR A 27 -8.762 -2.647 5.961 1.00 0.00 H new ATOM 0 HA THR A 27 -10.677 -0.729 6.327 1.00 0.00 H new ATOM 0 HB THR A 27 -8.746 -0.018 5.179 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.693 0.143 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.872 -1.136 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.038 -2.288 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.241 -2.272 3.190 1.00 0.00 H new ATOM 424 N PRO A 28 -12.862 -1.333 5.118 1.00 0.00 N ATOM 425 CA PRO A 28 -14.102 -1.658 4.382 1.00 0.00 C ATOM 426 C PRO A 28 -14.189 -0.840 3.086 1.00 0.00 C ATOM 427 O PRO A 28 -15.180 -0.884 2.385 1.00 0.00 O ATOM 428 CB PRO A 28 -15.244 -1.297 5.357 1.00 0.00 C ATOM 429 CG PRO A 28 -14.614 -0.458 6.503 1.00 0.00 C ATOM 430 CD PRO A 28 -13.080 -0.592 6.380 1.00 0.00 C ATOM 0 HA PRO A 28 -14.147 -2.704 4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.022 -0.730 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.713 -2.198 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.916 0.586 6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.955 -0.817 7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.599 0.386 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.661 -1.129 7.231 1.00 0.00 H new ATOM 438 N ARG A 29 -13.164 -0.102 2.758 1.00 0.00 N ATOM 439 CA ARG A 29 -13.208 0.704 1.506 1.00 0.00 C ATOM 440 C ARG A 29 -11.863 1.394 1.271 1.00 0.00 C ATOM 441 O ARG A 29 -11.298 1.313 0.198 1.00 0.00 O ATOM 442 CB ARG A 29 -14.318 1.765 1.605 1.00 0.00 C ATOM 443 CG ARG A 29 -14.275 2.500 2.979 1.00 0.00 C ATOM 444 CD ARG A 29 -15.630 2.382 3.688 1.00 0.00 C ATOM 445 NE ARG A 29 -16.730 2.852 2.779 1.00 0.00 N ATOM 446 CZ ARG A 29 -16.741 4.059 2.275 1.00 0.00 C ATOM 447 NH1 ARG A 29 -17.648 4.382 1.394 1.00 0.00 N ATOM 448 NH2 ARG A 29 -15.890 4.959 2.685 1.00 0.00 N ATOM 0 H ARG A 29 -12.303 -0.023 3.299 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.417 0.037 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.205 2.489 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.291 1.291 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.491 2.072 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.025 3.550 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.807 1.347 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.624 2.976 4.602 1.00 0.00 H new ATOM 0 HE ARG A 29 -17.490 2.212 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.343 3.695 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.662 5.322 0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.207 4.724 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.908 5.897 2.285 1.00 0.00 H new ATOM 462 N THR A 30 -11.345 2.081 2.253 1.00 0.00 N ATOM 463 CA THR A 30 -10.040 2.777 2.054 1.00 0.00 C ATOM 464 C THR A 30 -9.616 3.474 3.346 1.00 0.00 C ATOM 465 O THR A 30 -10.324 4.308 3.875 1.00 0.00 O ATOM 466 CB THR A 30 -10.184 3.826 0.944 1.00 0.00 C ATOM 467 OG1 THR A 30 -9.243 4.867 1.157 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.599 4.412 0.956 1.00 0.00 C ATOM 0 H THR A 30 -11.764 2.190 3.177 1.00 0.00 H new ATOM 0 HA THR A 30 -9.286 2.041 1.775 1.00 0.00 H new ATOM 0 HB THR A 30 -10.001 3.353 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.980 5.252 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.692 5.156 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.324 3.615 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.790 4.883 1.920 1.00 0.00 H new ATOM 476 N GLU A 31 -8.457 3.152 3.850 1.00 0.00 N ATOM 477 CA GLU A 31 -7.982 3.812 5.096 1.00 0.00 C ATOM 478 C GLU A 31 -7.727 5.289 4.793 1.00 0.00 C ATOM 479 O GLU A 31 -7.425 6.075 5.669 1.00 0.00 O ATOM 480 CB GLU A 31 -6.685 3.140 5.569 1.00 0.00 C ATOM 481 CG GLU A 31 -5.527 3.478 4.611 1.00 0.00 C ATOM 482 CD GLU A 31 -4.892 4.815 5.008 1.00 0.00 C ATOM 483 OE1 GLU A 31 -4.114 4.822 5.948 1.00 0.00 O ATOM 484 OE2 GLU A 31 -5.195 5.808 4.368 1.00 0.00 O ATOM 0 H GLU A 31 -7.820 2.461 3.453 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.731 3.720 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.441 3.474 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.823 2.060 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.777 2.687 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.895 3.531 3.586 1.00 0.00 H new ATOM 491 N GLU A 32 -7.848 5.664 3.548 1.00 0.00 N ATOM 492 CA GLU A 32 -7.616 7.082 3.160 1.00 0.00 C ATOM 493 C GLU A 32 -8.888 7.893 3.414 1.00 0.00 C ATOM 494 O GLU A 32 -8.843 9.078 3.676 1.00 0.00 O ATOM 495 CB GLU A 32 -7.257 7.139 1.671 1.00 0.00 C ATOM 496 CG GLU A 32 -6.343 5.963 1.319 1.00 0.00 C ATOM 497 CD GLU A 32 -5.741 6.180 -0.071 1.00 0.00 C ATOM 498 OE1 GLU A 32 -5.506 5.196 -0.753 1.00 0.00 O ATOM 499 OE2 GLU A 32 -5.526 7.326 -0.429 1.00 0.00 O ATOM 0 H GLU A 32 -8.099 5.043 2.779 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.800 7.500 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.163 7.102 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.759 8.081 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.549 5.872 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.908 5.031 1.340 1.00 0.00 H new ATOM 506 N GLY A 33 -10.019 7.257 3.328 1.00 0.00 N ATOM 507 CA GLY A 33 -11.307 7.972 3.552 1.00 0.00 C ATOM 508 C GLY A 33 -11.298 8.653 4.923 1.00 0.00 C ATOM 509 O GLY A 33 -10.620 9.639 5.135 1.00 0.00 O ATOM 0 H GLY A 33 -10.110 6.265 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.461 8.715 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.138 7.269 3.492 1.00 0.00 H new ATOM 513 N SER A 34 -12.057 8.140 5.854 1.00 0.00 N ATOM 514 CA SER A 34 -12.104 8.762 7.208 1.00 0.00 C ATOM 515 C SER A 34 -10.874 8.348 8.018 1.00 0.00 C ATOM 516 O SER A 34 -9.771 8.296 7.511 1.00 0.00 O ATOM 517 CB SER A 34 -13.369 8.301 7.933 1.00 0.00 C ATOM 518 OG SER A 34 -13.443 8.943 9.199 1.00 0.00 O ATOM 0 H SER A 34 -12.647 7.316 5.735 1.00 0.00 H new ATOM 0 HA SER A 34 -12.113 9.847 7.103 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.251 8.540 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.355 7.219 8.061 1.00 0.00 H new ATOM 0 HG SER A 34 -12.888 9.751 9.189 1.00 0.00 H new ATOM 524 N ARG A 35 -11.059 8.054 9.281 1.00 0.00 N ATOM 525 CA ARG A 35 -9.908 7.640 10.145 1.00 0.00 C ATOM 526 C ARG A 35 -9.855 6.114 10.226 1.00 0.00 C ATOM 527 O ARG A 35 -9.709 5.436 9.228 1.00 0.00 O ATOM 528 CB ARG A 35 -10.059 8.234 11.561 1.00 0.00 C ATOM 529 CG ARG A 35 -11.481 8.014 12.112 1.00 0.00 C ATOM 530 CD ARG A 35 -11.706 8.915 13.329 1.00 0.00 C ATOM 531 NE ARG A 35 -10.506 8.877 14.229 1.00 0.00 N ATOM 532 CZ ARG A 35 -10.049 7.754 14.717 1.00 0.00 C ATOM 533 NH1 ARG A 35 -8.936 7.751 15.397 1.00 0.00 N ATOM 534 NH2 ARG A 35 -10.725 6.646 14.576 1.00 0.00 N ATOM 0 H ARG A 35 -11.962 8.083 9.754 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.983 8.014 9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.332 7.774 12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.838 9.301 11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.219 8.236 11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.616 6.969 12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.894 9.938 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.590 8.587 13.875 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.035 9.750 14.466 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.427 8.622 15.546 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.575 6.877 15.780 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.617 6.652 14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.361 5.774 14.960 1.00 0.00 H new ATOM 548 N ARG A 36 -9.977 5.568 11.402 1.00 0.00 N ATOM 549 CA ARG A 36 -9.940 4.088 11.551 1.00 0.00 C ATOM 550 C ARG A 36 -8.762 3.511 10.765 1.00 0.00 C ATOM 551 O ARG A 36 -7.942 4.232 10.232 1.00 0.00 O ATOM 552 CB ARG A 36 -11.253 3.503 11.018 1.00 0.00 C ATOM 553 CG ARG A 36 -12.358 3.654 12.080 1.00 0.00 C ATOM 554 CD ARG A 36 -12.276 2.535 13.153 1.00 0.00 C ATOM 555 NE ARG A 36 -13.640 1.966 13.407 1.00 0.00 N ATOM 556 CZ ARG A 36 -14.681 2.740 13.585 1.00 0.00 C ATOM 557 NH1 ARG A 36 -15.864 2.211 13.736 1.00 0.00 N ATOM 558 NH2 ARG A 36 -14.541 4.036 13.639 1.00 0.00 N ATOM 0 H ARG A 36 -10.101 6.086 12.272 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.819 3.830 12.603 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.544 4.015 10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.118 2.451 10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.270 4.628 12.562 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.335 3.625 11.597 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.601 1.747 12.818 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.863 2.937 14.078 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.759 0.954 13.442 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.976 1.197 13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.677 2.811 13.875 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.615 4.453 13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.357 4.632 13.778 1.00 0.00 H new ATOM 572 N SER A 37 -8.693 2.209 10.699 1.00 0.00 N ATOM 573 CA SER A 37 -7.594 1.514 9.956 1.00 0.00 C ATOM 574 C SER A 37 -6.210 1.885 10.514 1.00 0.00 C ATOM 575 O SER A 37 -5.270 1.128 10.389 1.00 0.00 O ATOM 576 CB SER A 37 -7.667 1.870 8.470 1.00 0.00 C ATOM 577 OG SER A 37 -6.443 1.507 7.844 1.00 0.00 O ATOM 0 H SER A 37 -9.366 1.581 11.138 1.00 0.00 H new ATOM 0 HA SER A 37 -7.730 0.440 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.500 1.348 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.850 2.938 8.348 1.00 0.00 H new ATOM 0 HG SER A 37 -6.593 0.741 7.252 1.00 0.00 H new ATOM 583 N ARG A 38 -6.060 3.025 11.130 1.00 0.00 N ATOM 584 CA ARG A 38 -4.723 3.390 11.676 1.00 0.00 C ATOM 585 C ARG A 38 -4.465 2.582 12.947 1.00 0.00 C ATOM 586 O ARG A 38 -3.368 2.543 13.463 1.00 0.00 O ATOM 587 CB ARG A 38 -4.689 4.886 11.999 1.00 0.00 C ATOM 588 CG ARG A 38 -5.727 5.206 13.084 1.00 0.00 C ATOM 589 CD ARG A 38 -5.867 6.737 13.260 1.00 0.00 C ATOM 590 NE ARG A 38 -5.842 7.094 14.716 1.00 0.00 N ATOM 591 CZ ARG A 38 -6.563 6.439 15.590 1.00 0.00 C ATOM 592 NH1 ARG A 38 -6.469 6.735 16.858 1.00 0.00 N ATOM 593 NH2 ARG A 38 -7.392 5.511 15.201 1.00 0.00 N ATOM 0 H ARG A 38 -6.798 3.714 11.278 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.952 3.168 10.938 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.694 5.172 12.339 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.898 5.467 11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.691 4.775 12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.428 4.751 14.028 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.056 7.246 12.739 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.799 7.079 12.810 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.251 7.863 15.032 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.836 7.474 17.164 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.029 6.227 17.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.482 5.291 14.209 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.950 5.005 15.889 1.00 0.00 H new ATOM 607 N GLY A 39 -5.474 1.938 13.461 1.00 0.00 N ATOM 608 CA GLY A 39 -5.292 1.132 14.699 1.00 0.00 C ATOM 609 C GLY A 39 -4.738 -0.252 14.350 1.00 0.00 C ATOM 610 O GLY A 39 -4.007 -0.845 15.116 1.00 0.00 O ATOM 0 H GLY A 39 -6.419 1.935 13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.611 1.644 15.379 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.244 1.030 15.219 1.00 0.00 H new ATOM 614 N ILE A 40 -5.105 -0.788 13.209 1.00 0.00 N ATOM 615 CA ILE A 40 -4.624 -2.154 12.813 1.00 0.00 C ATOM 616 C ILE A 40 -3.466 -2.055 11.790 1.00 0.00 C ATOM 617 O ILE A 40 -2.420 -2.643 11.981 1.00 0.00 O ATOM 618 CB ILE A 40 -5.840 -2.939 12.251 1.00 0.00 C ATOM 619 CG1 ILE A 40 -5.747 -4.473 12.526 1.00 0.00 C ATOM 620 CG2 ILE A 40 -6.028 -2.688 10.750 1.00 0.00 C ATOM 621 CD1 ILE A 40 -4.302 -5.018 12.522 1.00 0.00 C ATOM 0 H ILE A 40 -5.720 -0.337 12.531 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.220 -2.686 13.675 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.712 -2.560 12.784 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.204 -4.688 13.492 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.328 -5.004 11.772 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.888 -3.254 10.391 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.195 -1.625 10.577 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.135 -3.007 10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.317 -6.090 12.720 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.847 -4.835 11.549 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.721 -4.514 13.295 1.00 0.00 H new ATOM 633 N VAL A 41 -3.644 -1.354 10.697 1.00 0.00 N ATOM 634 CA VAL A 41 -2.549 -1.285 9.675 1.00 0.00 C ATOM 635 C VAL A 41 -1.318 -0.550 10.222 1.00 0.00 C ATOM 636 O VAL A 41 -0.252 -1.120 10.330 1.00 0.00 O ATOM 637 CB VAL A 41 -3.051 -0.570 8.408 1.00 0.00 C ATOM 638 CG1 VAL A 41 -2.143 -0.921 7.223 1.00 0.00 C ATOM 639 CG2 VAL A 41 -4.479 -1.021 8.087 1.00 0.00 C ATOM 0 H VAL A 41 -4.490 -0.831 10.468 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.259 -2.307 9.430 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.036 0.506 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.501 -0.413 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.124 -0.601 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.158 -1.999 7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.828 -0.511 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.492 -2.098 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.135 -0.775 8.922 1.00 0.00 H new ATOM 649 N GLU A 42 -1.439 0.707 10.541 1.00 0.00 N ATOM 650 CA GLU A 42 -0.252 1.463 11.045 1.00 0.00 C ATOM 651 C GLU A 42 0.368 0.767 12.264 1.00 0.00 C ATOM 652 O GLU A 42 1.556 0.530 12.310 1.00 0.00 O ATOM 653 CB GLU A 42 -0.671 2.882 11.430 1.00 0.00 C ATOM 654 CG GLU A 42 -1.039 3.667 10.170 1.00 0.00 C ATOM 655 CD GLU A 42 -1.332 5.122 10.542 1.00 0.00 C ATOM 656 OE1 GLU A 42 -0.850 5.557 11.575 1.00 0.00 O ATOM 657 OE2 GLU A 42 -2.034 5.776 9.789 1.00 0.00 O ATOM 0 H GLU A 42 -2.303 1.245 10.476 1.00 0.00 H new ATOM 0 HA GLU A 42 0.493 1.498 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.521 2.849 12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.141 3.382 11.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.222 3.622 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.911 3.220 9.692 1.00 0.00 H new ATOM 664 N GLN A 43 -0.410 0.452 13.259 1.00 0.00 N ATOM 665 CA GLN A 43 0.169 -0.209 14.468 1.00 0.00 C ATOM 666 C GLN A 43 1.070 -1.381 14.047 1.00 0.00 C ATOM 667 O GLN A 43 2.206 -1.481 14.464 1.00 0.00 O ATOM 668 CB GLN A 43 -0.977 -0.711 15.367 1.00 0.00 C ATOM 669 CG GLN A 43 -0.551 -0.700 16.843 1.00 0.00 C ATOM 670 CD GLN A 43 0.802 -1.395 17.005 1.00 0.00 C ATOM 671 OE1 GLN A 43 1.830 -0.827 16.698 1.00 0.00 O ATOM 672 NE2 GLN A 43 0.844 -2.607 17.487 1.00 0.00 N ATOM 0 H GLN A 43 -1.415 0.620 13.292 1.00 0.00 H new ATOM 0 HA GLN A 43 0.774 0.508 15.022 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.856 -0.080 15.232 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.262 -1.721 15.073 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.487 0.327 17.203 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.303 -1.204 17.450 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.020 -3.084 17.745 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.741 -3.078 17.606 1.00 0.00 H new ATOM 681 N CYS A 44 0.572 -2.273 13.232 1.00 0.00 N ATOM 682 CA CYS A 44 1.397 -3.434 12.801 1.00 0.00 C ATOM 683 C CYS A 44 2.388 -2.999 11.712 1.00 0.00 C ATOM 684 O CYS A 44 3.579 -3.203 11.822 1.00 0.00 O ATOM 685 CB CYS A 44 0.460 -4.526 12.279 1.00 0.00 C ATOM 686 SG CYS A 44 -0.517 -5.167 13.659 1.00 0.00 S ATOM 0 H CYS A 44 -0.372 -2.246 12.847 1.00 0.00 H new ATOM 0 HA CYS A 44 1.973 -3.821 13.642 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.196 -4.123 11.508 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.036 -5.329 11.820 1.00 0.00 H new ATOM 691 N CYS A 45 1.909 -2.398 10.667 1.00 0.00 N ATOM 692 CA CYS A 45 2.822 -1.939 9.578 1.00 0.00 C ATOM 693 C CYS A 45 3.839 -0.938 10.136 1.00 0.00 C ATOM 694 O CYS A 45 5.030 -1.081 9.949 1.00 0.00 O ATOM 695 CB CYS A 45 1.986 -1.263 8.489 1.00 0.00 C ATOM 696 SG CYS A 45 3.056 -0.704 7.135 1.00 0.00 S ATOM 0 H CYS A 45 0.920 -2.201 10.514 1.00 0.00 H new ATOM 0 HA CYS A 45 3.358 -2.793 9.164 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.239 -1.960 8.108 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.445 -0.415 8.909 1.00 0.00 H new ATOM 701 N ARG A 46 3.379 0.080 10.810 1.00 0.00 N ATOM 702 CA ARG A 46 4.317 1.096 11.367 1.00 0.00 C ATOM 703 C ARG A 46 5.180 0.474 12.474 1.00 0.00 C ATOM 704 O ARG A 46 6.336 0.814 12.625 1.00 0.00 O ATOM 705 CB ARG A 46 3.501 2.274 11.931 1.00 0.00 C ATOM 706 CG ARG A 46 4.326 3.573 11.885 1.00 0.00 C ATOM 707 CD ARG A 46 5.499 3.518 12.890 1.00 0.00 C ATOM 708 NE ARG A 46 5.643 4.845 13.572 1.00 0.00 N ATOM 709 CZ ARG A 46 5.630 5.963 12.893 1.00 0.00 C ATOM 710 NH1 ARG A 46 5.653 7.104 13.527 1.00 0.00 N ATOM 711 NH2 ARG A 46 5.640 5.949 11.589 1.00 0.00 N ATOM 0 H ARG A 46 2.392 0.253 11.000 1.00 0.00 H new ATOM 0 HA ARG A 46 4.978 1.452 10.577 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.584 2.398 11.355 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.205 2.060 12.958 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.712 3.728 10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.685 4.424 12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.321 2.736 13.628 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.423 3.263 12.371 1.00 0.00 H new ATOM 0 HE ARG A 46 5.753 4.877 14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.681 7.120 14.546 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.643 7.979 13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.658 5.060 11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.630 6.827 11.069 1.00 0.00 H new ATOM 725 N SER A 47 4.631 -0.428 13.256 1.00 0.00 N ATOM 726 CA SER A 47 5.428 -1.060 14.359 1.00 0.00 C ATOM 727 C SER A 47 5.154 -2.563 14.383 1.00 0.00 C ATOM 728 O SER A 47 4.072 -3.005 14.076 1.00 0.00 O ATOM 729 CB SER A 47 5.015 -0.447 15.698 1.00 0.00 C ATOM 730 OG SER A 47 5.556 0.864 15.799 1.00 0.00 O ATOM 0 H SER A 47 3.667 -0.753 13.178 1.00 0.00 H new ATOM 0 HA SER A 47 6.490 -0.885 14.190 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.928 -0.412 15.776 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.374 -1.066 16.521 1.00 0.00 H new ATOM 0 HG SER A 47 5.292 1.262 16.655 1.00 0.00 H new ATOM 736 N ILE A 48 6.124 -3.353 14.746 1.00 0.00 N ATOM 737 CA ILE A 48 5.901 -4.826 14.775 1.00 0.00 C ATOM 738 C ILE A 48 4.917 -5.173 15.894 1.00 0.00 C ATOM 739 O ILE A 48 5.278 -5.255 17.051 1.00 0.00 O ATOM 740 CB ILE A 48 7.231 -5.538 15.027 1.00 0.00 C ATOM 741 CG1 ILE A 48 8.244 -5.120 13.958 1.00 0.00 C ATOM 742 CG2 ILE A 48 7.022 -7.052 14.960 1.00 0.00 C ATOM 743 CD1 ILE A 48 9.637 -5.614 14.354 1.00 0.00 C ATOM 0 H ILE A 48 7.057 -3.046 15.023 1.00 0.00 H new ATOM 0 HA ILE A 48 5.491 -5.149 13.818 1.00 0.00 H new ATOM 0 HB ILE A 48 7.606 -5.265 16.013 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.961 -5.535 12.991 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.248 -4.035 13.850 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.970 -7.559 15.140 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.300 -7.354 15.719 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.647 -7.324 13.974 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.358 -5.317 13.593 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.919 -5.177 15.312 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.627 -6.701 14.439 1.00 0.00 H new ATOM 755 N CYS A 49 3.671 -5.381 15.553 1.00 0.00 N ATOM 756 CA CYS A 49 2.656 -5.728 16.589 1.00 0.00 C ATOM 757 C CYS A 49 2.683 -7.238 16.833 1.00 0.00 C ATOM 758 O CYS A 49 2.795 -8.023 15.913 1.00 0.00 O ATOM 759 CB CYS A 49 1.264 -5.311 16.105 1.00 0.00 C ATOM 760 SG CYS A 49 0.783 -6.327 14.685 1.00 0.00 S ATOM 0 H CYS A 49 3.313 -5.325 14.599 1.00 0.00 H new ATOM 0 HA CYS A 49 2.885 -5.203 17.516 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.538 -5.427 16.910 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.266 -4.257 15.827 1.00 0.00 H new ATOM 765 N SER A 50 2.585 -7.650 18.066 1.00 0.00 N ATOM 766 CA SER A 50 2.611 -9.108 18.368 1.00 0.00 C ATOM 767 C SER A 50 1.320 -9.760 17.871 1.00 0.00 C ATOM 768 O SER A 50 0.336 -9.096 17.611 1.00 0.00 O ATOM 769 CB SER A 50 2.729 -9.312 19.877 1.00 0.00 C ATOM 770 OG SER A 50 3.836 -8.566 20.367 1.00 0.00 O ATOM 0 H SER A 50 2.488 -7.040 18.878 1.00 0.00 H new ATOM 0 HA SER A 50 3.465 -9.564 17.867 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.812 -8.991 20.372 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.860 -10.370 20.103 1.00 0.00 H new ATOM 0 HG SER A 50 3.913 -8.693 21.336 1.00 0.00 H new ATOM 776 N LEU A 51 1.315 -11.058 17.745 1.00 0.00 N ATOM 777 CA LEU A 51 0.087 -11.755 17.275 1.00 0.00 C ATOM 778 C LEU A 51 -1.071 -11.397 18.204 1.00 0.00 C ATOM 779 O LEU A 51 -2.213 -11.341 17.798 1.00 0.00 O ATOM 780 CB LEU A 51 0.310 -13.270 17.303 1.00 0.00 C ATOM 781 CG LEU A 51 1.632 -13.616 16.613 1.00 0.00 C ATOM 782 CD1 LEU A 51 1.859 -15.126 16.689 1.00 0.00 C ATOM 783 CD2 LEU A 51 1.579 -13.177 15.144 1.00 0.00 C ATOM 0 H LEU A 51 2.109 -11.666 17.947 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.143 -11.445 16.256 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.324 -13.625 18.333 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.515 -13.777 16.802 1.00 0.00 H new ATOM 0 HG LEU A 51 2.450 -13.097 17.112 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.799 -15.378 16.199 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.900 -15.436 17.733 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.040 -15.643 16.189 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.522 -13.425 14.656 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.762 -13.693 14.639 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.415 -12.101 15.092 1.00 0.00 H new ATOM 795 N TYR A 52 -0.782 -11.153 19.453 1.00 0.00 N ATOM 796 CA TYR A 52 -1.863 -10.796 20.415 1.00 0.00 C ATOM 797 C TYR A 52 -2.736 -9.692 19.805 1.00 0.00 C ATOM 798 O TYR A 52 -3.944 -9.807 19.740 1.00 0.00 O ATOM 799 CB TYR A 52 -1.232 -10.302 21.728 1.00 0.00 C ATOM 800 CG TYR A 52 -2.202 -10.489 22.872 1.00 0.00 C ATOM 801 CD1 TYR A 52 -3.250 -9.584 23.046 1.00 0.00 C ATOM 802 CD2 TYR A 52 -2.052 -11.567 23.753 1.00 0.00 C ATOM 803 CE1 TYR A 52 -4.152 -9.751 24.104 1.00 0.00 C ATOM 804 CE2 TYR A 52 -2.953 -11.736 24.811 1.00 0.00 C ATOM 805 CZ TYR A 52 -4.004 -10.827 24.987 1.00 0.00 C ATOM 806 OH TYR A 52 -4.892 -10.993 26.030 1.00 0.00 O ATOM 0 H TYR A 52 0.157 -11.186 19.849 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.481 -11.670 20.622 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.312 -10.851 21.928 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.962 -9.250 21.638 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.365 -8.754 22.364 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.242 -12.268 23.616 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.962 -9.049 24.239 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.838 -12.567 25.491 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.646 -11.789 26.546 1.00 0.00 H new ATOM 816 N GLN A 53 -2.131 -8.627 19.351 1.00 0.00 N ATOM 817 CA GLN A 53 -2.923 -7.523 18.739 1.00 0.00 C ATOM 818 C GLN A 53 -3.627 -8.043 17.488 1.00 0.00 C ATOM 819 O GLN A 53 -4.818 -7.872 17.319 1.00 0.00 O ATOM 820 CB GLN A 53 -1.990 -6.374 18.357 1.00 0.00 C ATOM 821 CG GLN A 53 -1.246 -5.885 19.600 1.00 0.00 C ATOM 822 CD GLN A 53 -0.594 -4.533 19.306 1.00 0.00 C ATOM 823 OE1 GLN A 53 -1.259 -3.602 18.895 1.00 0.00 O ATOM 824 NE2 GLN A 53 0.687 -4.382 19.500 1.00 0.00 N ATOM 0 H GLN A 53 -1.123 -8.475 19.378 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.663 -7.165 19.455 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.278 -6.706 17.601 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.563 -5.557 17.918 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.937 -5.793 20.438 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.487 -6.611 19.892 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.246 -5.162 19.845 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.130 -3.484 19.307 1.00 0.00 H new ATOM 833 N LEU A 54 -2.904 -8.684 16.609 1.00 0.00 N ATOM 834 CA LEU A 54 -3.545 -9.218 15.378 1.00 0.00 C ATOM 835 C LEU A 54 -4.706 -10.113 15.780 1.00 0.00 C ATOM 836 O LEU A 54 -5.737 -10.154 15.138 1.00 0.00 O ATOM 837 CB LEU A 54 -2.531 -10.017 14.577 1.00 0.00 C ATOM 838 CG LEU A 54 -1.402 -9.092 14.133 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.336 -9.920 13.409 1.00 0.00 C ATOM 840 CD2 LEU A 54 -1.945 -7.997 13.194 1.00 0.00 C ATOM 0 H LEU A 54 -1.903 -8.859 16.691 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.909 -8.395 14.763 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.133 -10.832 15.181 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.010 -10.469 13.708 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.964 -8.610 15.007 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.476 -9.267 13.088 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.056 -10.680 14.085 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.780 -10.403 12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.128 -7.345 12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.391 -8.461 12.314 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.700 -7.410 13.717 1.00 0.00 H new ATOM 852 N GLU A 55 -4.540 -10.821 16.853 1.00 0.00 N ATOM 853 CA GLU A 55 -5.620 -11.720 17.339 1.00 0.00 C ATOM 854 C GLU A 55 -6.760 -10.875 17.913 1.00 0.00 C ATOM 855 O GLU A 55 -7.813 -11.377 18.253 1.00 0.00 O ATOM 856 CB GLU A 55 -5.064 -12.642 18.428 1.00 0.00 C ATOM 857 CG GLU A 55 -5.965 -13.870 18.581 1.00 0.00 C ATOM 858 CD GLU A 55 -5.601 -14.614 19.867 1.00 0.00 C ATOM 859 OE1 GLU A 55 -6.511 -15.038 20.561 1.00 0.00 O ATOM 860 OE2 GLU A 55 -4.419 -14.747 20.137 1.00 0.00 O ATOM 0 H GLU A 55 -3.694 -10.818 17.423 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.995 -12.324 16.513 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.051 -12.953 18.171 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.002 -12.105 19.375 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.011 -13.565 18.608 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.848 -14.530 17.721 1.00 0.00 H new ATOM 867 N ASN A 56 -6.540 -9.599 18.052 1.00 0.00 N ATOM 868 CA ASN A 56 -7.589 -8.715 18.637 1.00 0.00 C ATOM 869 C ASN A 56 -8.652 -8.359 17.591 1.00 0.00 C ATOM 870 O ASN A 56 -9.760 -7.988 17.927 1.00 0.00 O ATOM 871 CB ASN A 56 -6.920 -7.433 19.141 1.00 0.00 C ATOM 872 CG ASN A 56 -7.832 -6.727 20.145 1.00 0.00 C ATOM 873 OD1 ASN A 56 -9.040 -6.823 20.062 1.00 0.00 O ATOM 874 ND2 ASN A 56 -7.297 -6.016 21.099 1.00 0.00 N ATOM 0 H ASN A 56 -5.676 -9.127 17.785 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.081 -9.239 19.457 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.965 -7.671 19.610 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.707 -6.770 18.302 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.893 -5.540 21.776 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.282 -5.936 21.168 1.00 0.00 H new ATOM 881 N TYR A 57 -8.323 -8.443 16.330 1.00 0.00 N ATOM 882 CA TYR A 57 -9.306 -8.083 15.261 1.00 0.00 C ATOM 883 C TYR A 57 -9.939 -9.346 14.679 1.00 0.00 C ATOM 884 O TYR A 57 -10.870 -9.284 13.901 1.00 0.00 O ATOM 885 CB TYR A 57 -8.558 -7.325 14.168 1.00 0.00 C ATOM 886 CG TYR A 57 -7.573 -6.390 14.825 1.00 0.00 C ATOM 887 CD1 TYR A 57 -7.982 -5.135 15.286 1.00 0.00 C ATOM 888 CD2 TYR A 57 -6.248 -6.788 14.972 1.00 0.00 C ATOM 889 CE1 TYR A 57 -7.059 -4.279 15.895 1.00 0.00 C ATOM 890 CE2 TYR A 57 -5.318 -5.936 15.581 1.00 0.00 C ATOM 891 CZ TYR A 57 -5.725 -4.679 16.044 1.00 0.00 C ATOM 892 OH TYR A 57 -4.813 -3.835 16.645 1.00 0.00 O ATOM 0 H TYR A 57 -7.411 -8.747 15.990 1.00 0.00 H new ATOM 0 HA TYR A 57 -10.101 -7.464 15.676 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.038 -8.022 13.511 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.258 -6.764 13.549 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.011 -4.827 15.172 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.935 -7.758 14.615 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.375 -3.309 16.250 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.290 -6.248 15.693 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.934 -4.267 16.669 1.00 0.00 H new ATOM 902 N CYS A 58 -9.442 -10.488 15.049 1.00 0.00 N ATOM 903 CA CYS A 58 -10.012 -11.750 14.519 1.00 0.00 C ATOM 904 C CYS A 58 -11.481 -11.849 14.915 1.00 0.00 C ATOM 905 O CYS A 58 -11.823 -12.328 15.978 1.00 0.00 O ATOM 906 CB CYS A 58 -9.229 -12.929 15.085 1.00 0.00 C ATOM 907 SG CYS A 58 -7.523 -12.845 14.485 1.00 0.00 S ATOM 0 H CYS A 58 -8.663 -10.602 15.698 1.00 0.00 H new ATOM 0 HA CYS A 58 -9.940 -11.764 13.431 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -9.247 -12.905 16.175 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.690 -13.868 14.780 1.00 0.00 H new ATOM 912 N GLY A 59 -12.352 -11.394 14.059 1.00 0.00 N ATOM 913 CA GLY A 59 -13.808 -11.454 14.371 1.00 0.00 C ATOM 914 C GLY A 59 -14.606 -10.871 13.204 1.00 0.00 C ATOM 915 O GLY A 59 -14.254 -9.794 12.751 1.00 0.00 O ATOM 916 OXT GLY A 59 -15.555 -11.511 12.783 1.00 0.00 O ATOM 0 H GLY A 59 -12.119 -10.982 13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.109 -12.486 14.552 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.018 -10.896 15.283 1.00 0.00 H new TER 920 GLY A 59