USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 409 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 PHE N :NH3+ -158:sc= -6.98! (180deg=-0.258) USER MOD Set 1.2: A 4 GLN : amide:sc= -6.05! C(o=-13!,f=-3.4!) USER MOD Single : A 3 ASN : amide:sc= -1.02 K(o=-1,f=-3.8!) USER MOD Single : A 5 HIS : no HD1:sc= -1.33! C(o=-1.3!,f=-7.6!) 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 51:sc= 0.0161 USER MOD Single : A 27 THR OG1 : rot 172:sc= -5.69! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 41 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.96) USER MOD Single : A 44 HIS : no HE2:sc= 0.248 K(o=0.25,f=-4.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc=0.000326 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.938 K(o=-0.94,f=-2.5) USER MOD Single : A 54 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.4) USER MOD Single : A 55 TYR OH : rot 103:sc= 0.49 USER MOD Single : A 57 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.279 -12.386 2.931 1.00 0.00 N ATOM 2 CA PHE A 1 -5.097 -11.577 1.693 1.00 0.00 C ATOM 3 C PHE A 1 -6.017 -12.133 0.602 1.00 0.00 C ATOM 4 O PHE A 1 -5.698 -12.099 -0.569 1.00 0.00 O ATOM 5 CB PHE A 1 -3.633 -11.686 1.240 1.00 0.00 C ATOM 6 CG PHE A 1 -3.219 -10.598 0.273 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.142 -9.737 -0.337 1.00 0.00 C ATOM 8 CD2 PHE A 1 -1.859 -10.462 -0.013 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.695 -8.762 -1.218 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.417 -9.483 -0.893 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.331 -8.631 -1.497 1.00 0.00 C ATOM 0 H1 PHE A 1 -4.974 -11.831 3.756 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.282 -12.640 3.036 1.00 0.00 H new ATOM 0 H3 PHE A 1 -4.708 -13.253 2.866 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.343 -10.532 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -2.986 -11.648 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.477 -12.657 0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.196 -9.832 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.145 -11.124 0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.405 -8.100 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.363 -9.385 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 1 -1.989 -7.868 -2.181 1.00 0.00 H new ATOM 23 N VAL A 2 -7.148 -12.666 0.986 1.00 0.00 N ATOM 24 CA VAL A 2 -8.093 -13.257 -0.013 1.00 0.00 C ATOM 25 C VAL A 2 -9.273 -12.306 -0.270 1.00 0.00 C ATOM 26 O VAL A 2 -9.221 -11.454 -1.135 1.00 0.00 O ATOM 27 CB VAL A 2 -8.614 -14.587 0.559 1.00 0.00 C ATOM 28 CG1 VAL A 2 -7.623 -15.713 0.243 1.00 0.00 C ATOM 29 CG2 VAL A 2 -8.769 -14.464 2.086 1.00 0.00 C ATOM 0 H VAL A 2 -7.461 -12.718 1.955 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.577 -13.419 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.579 -14.816 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.997 -16.652 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.510 -15.806 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.656 -15.483 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.138 -15.406 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.802 -14.231 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.477 -13.668 2.317 1.00 0.00 H new ATOM 39 N ASN A 3 -10.341 -12.461 0.470 1.00 0.00 N ATOM 40 CA ASN A 3 -11.546 -11.591 0.280 1.00 0.00 C ATOM 41 C ASN A 3 -11.584 -10.514 1.360 1.00 0.00 C ATOM 42 O ASN A 3 -12.634 -10.017 1.717 1.00 0.00 O ATOM 43 CB ASN A 3 -12.814 -12.444 0.370 1.00 0.00 C ATOM 44 CG ASN A 3 -12.666 -13.679 -0.516 1.00 0.00 C ATOM 45 OD1 ASN A 3 -11.867 -14.550 -0.239 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.412 -13.794 -1.577 1.00 0.00 N ATOM 0 H ASN A 3 -10.432 -13.161 1.207 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.492 -11.117 -0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -12.990 -12.744 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.680 -11.861 0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.325 -14.616 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.083 -13.062 -1.810 1.00 0.00 H new ATOM 53 N GLN A 4 -10.451 -10.156 1.889 1.00 0.00 N ATOM 54 CA GLN A 4 -10.411 -9.114 2.958 1.00 0.00 C ATOM 55 C GLN A 4 -10.114 -7.748 2.332 1.00 0.00 C ATOM 56 O GLN A 4 -9.590 -7.647 1.241 1.00 0.00 O ATOM 57 CB GLN A 4 -9.324 -9.480 3.987 1.00 0.00 C ATOM 58 CG GLN A 4 -8.211 -10.294 3.314 1.00 0.00 C ATOM 59 CD GLN A 4 -7.122 -10.619 4.335 1.00 0.00 C ATOM 60 OE1 GLN A 4 -6.437 -9.738 4.815 1.00 0.00 O ATOM 61 NE2 GLN A 4 -6.934 -11.862 4.689 1.00 0.00 N ATOM 0 H GLN A 4 -9.543 -10.541 1.628 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.376 -9.066 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.907 -8.573 4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.763 -10.055 4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.621 -11.215 2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.787 -9.731 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.510 -12.600 4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.211 -12.095 5.370 1.00 0.00 H new ATOM 70 N HIS A 5 -10.472 -6.698 3.020 1.00 0.00 N ATOM 71 CA HIS A 5 -10.250 -5.324 2.490 1.00 0.00 C ATOM 72 C HIS A 5 -8.895 -4.780 2.954 1.00 0.00 C ATOM 73 O HIS A 5 -8.555 -4.837 4.119 1.00 0.00 O ATOM 74 CB HIS A 5 -11.359 -4.412 3.014 1.00 0.00 C ATOM 75 CG HIS A 5 -11.258 -4.305 4.511 1.00 0.00 C ATOM 76 ND1 HIS A 5 -10.749 -5.332 5.295 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.595 -3.298 5.384 1.00 0.00 C ATOM 78 CE1 HIS A 5 -10.794 -4.925 6.578 1.00 0.00 C ATOM 79 NE2 HIS A 5 -11.299 -3.696 6.682 1.00 0.00 N ATOM 0 H HIS A 5 -10.914 -6.735 3.938 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.261 -5.356 1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.275 -3.424 2.562 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.334 -4.809 2.733 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.023 -2.346 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.463 -5.519 7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.439 -3.159 7.538 1.00 0.00 H new ATOM 87 N LEU A 6 -8.129 -4.238 2.045 1.00 0.00 N ATOM 88 CA LEU A 6 -6.798 -3.664 2.410 1.00 0.00 C ATOM 89 C LEU A 6 -6.970 -2.162 2.645 1.00 0.00 C ATOM 90 O LEU A 6 -7.621 -1.479 1.883 1.00 0.00 O ATOM 91 CB LEU A 6 -5.810 -3.878 1.245 1.00 0.00 C ATOM 92 CG LEU A 6 -5.019 -5.208 1.369 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.835 -6.318 2.049 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.623 -5.680 -0.033 1.00 0.00 C ATOM 0 H LEU A 6 -8.369 -4.167 1.056 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.414 -4.150 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.358 -3.872 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.109 -3.044 1.211 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.143 -5.013 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.235 -7.226 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.115 -6.000 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.735 -6.517 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.066 -6.614 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.521 -5.839 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.000 -4.923 -0.509 1.00 0.00 H new ATOM 106 N CYS A 7 -6.379 -1.640 3.682 1.00 0.00 N ATOM 107 CA CYS A 7 -6.501 -0.179 3.949 1.00 0.00 C ATOM 108 C CYS A 7 -5.255 0.304 4.698 1.00 0.00 C ATOM 109 O CYS A 7 -4.902 -0.211 5.741 1.00 0.00 O ATOM 110 CB CYS A 7 -7.766 0.073 4.786 1.00 0.00 C ATOM 111 SG CYS A 7 -8.526 1.641 4.284 1.00 0.00 S ATOM 0 H CYS A 7 -5.817 -2.160 4.356 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.581 0.371 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.473 -0.745 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.513 0.103 5.846 1.00 0.00 H new ATOM 116 N GLY A 8 -4.592 1.295 4.175 1.00 0.00 N ATOM 117 CA GLY A 8 -3.370 1.817 4.854 1.00 0.00 C ATOM 118 C GLY A 8 -2.223 0.808 4.724 1.00 0.00 C ATOM 119 O GLY A 8 -2.099 0.115 3.734 1.00 0.00 O ATOM 0 H GLY A 8 -4.841 1.768 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.078 2.770 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.582 2.005 5.907 1.00 0.00 H new ATOM 123 N SER A 9 -1.378 0.731 5.719 1.00 0.00 N ATOM 124 CA SER A 9 -0.227 -0.220 5.666 1.00 0.00 C ATOM 125 C SER A 9 -0.703 -1.599 5.204 1.00 0.00 C ATOM 126 O SER A 9 0.019 -2.321 4.546 1.00 0.00 O ATOM 127 CB SER A 9 0.394 -0.341 7.058 1.00 0.00 C ATOM 128 OG SER A 9 1.062 0.871 7.381 1.00 0.00 O ATOM 0 H SER A 9 -1.436 1.289 6.571 1.00 0.00 H new ATOM 0 HA SER A 9 0.513 0.157 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.379 -0.552 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.096 -1.175 7.085 1.00 0.00 H new ATOM 0 HG SER A 9 1.460 0.797 8.274 1.00 0.00 H new ATOM 134 N ASP A 10 -1.910 -1.976 5.536 1.00 0.00 N ATOM 135 CA ASP A 10 -2.414 -3.311 5.102 1.00 0.00 C ATOM 136 C ASP A 10 -2.142 -3.476 3.605 1.00 0.00 C ATOM 137 O ASP A 10 -1.587 -4.465 3.167 1.00 0.00 O ATOM 138 CB ASP A 10 -3.925 -3.391 5.373 1.00 0.00 C ATOM 139 CG ASP A 10 -4.175 -3.827 6.821 1.00 0.00 C ATOM 140 OD1 ASP A 10 -3.289 -3.634 7.638 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.246 -4.345 7.086 1.00 0.00 O ATOM 0 H ASP A 10 -2.565 -1.420 6.086 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.910 -4.105 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.387 -2.421 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.389 -4.099 4.686 1.00 0.00 H new ATOM 146 N LEU A 11 -2.526 -2.509 2.822 1.00 0.00 N ATOM 147 CA LEU A 11 -2.290 -2.597 1.357 1.00 0.00 C ATOM 148 C LEU A 11 -0.796 -2.813 1.091 1.00 0.00 C ATOM 149 O LEU A 11 -0.403 -3.739 0.411 1.00 0.00 O ATOM 150 CB LEU A 11 -2.748 -1.291 0.687 1.00 0.00 C ATOM 151 CG LEU A 11 -2.338 -1.277 -0.792 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.792 -2.556 -1.479 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.992 -0.088 -1.501 1.00 0.00 C ATOM 0 H LEU A 11 -2.995 -1.659 3.135 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.855 -3.434 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.830 -1.191 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.308 -0.437 1.201 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.252 -1.197 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.494 -2.531 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.331 -3.415 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.877 -2.640 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.697 -0.083 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.076 -0.173 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.669 0.840 -1.029 1.00 0.00 H new ATOM 165 N VAL A 12 0.038 -1.955 1.615 1.00 0.00 N ATOM 166 CA VAL A 12 1.506 -2.098 1.385 1.00 0.00 C ATOM 167 C VAL A 12 1.933 -3.550 1.610 1.00 0.00 C ATOM 168 O VAL A 12 2.350 -4.232 0.694 1.00 0.00 O ATOM 169 CB VAL A 12 2.267 -1.197 2.361 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.750 -1.153 1.977 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.689 0.220 2.310 1.00 0.00 C ATOM 0 H VAL A 12 -0.234 -1.160 2.193 1.00 0.00 H new ATOM 0 HA VAL A 12 1.733 -1.809 0.359 1.00 0.00 H new ATOM 0 HB VAL A 12 2.165 -1.597 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.288 -0.511 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.166 -2.160 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.853 -0.757 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.232 0.860 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.787 0.617 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.636 0.193 2.589 1.00 0.00 H new ATOM 181 N GLU A 13 1.842 -4.027 2.821 1.00 0.00 N ATOM 182 CA GLU A 13 2.253 -5.434 3.100 1.00 0.00 C ATOM 183 C GLU A 13 1.638 -6.358 2.054 1.00 0.00 C ATOM 184 O GLU A 13 2.181 -7.394 1.734 1.00 0.00 O ATOM 185 CB GLU A 13 1.763 -5.844 4.488 1.00 0.00 C ATOM 186 CG GLU A 13 2.260 -4.837 5.527 1.00 0.00 C ATOM 187 CD GLU A 13 1.740 -5.230 6.910 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.537 -5.379 7.049 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.553 -5.374 7.808 1.00 0.00 O ATOM 0 H GLU A 13 1.502 -3.505 3.629 1.00 0.00 H new ATOM 0 HA GLU A 13 3.340 -5.509 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.674 -5.888 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.126 -6.842 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.350 -4.811 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.918 -3.835 5.270 1.00 0.00 H new ATOM 196 N ALA A 14 0.509 -5.990 1.517 1.00 0.00 N ATOM 197 CA ALA A 14 -0.139 -6.847 0.490 1.00 0.00 C ATOM 198 C ALA A 14 0.554 -6.631 -0.861 1.00 0.00 C ATOM 199 O ALA A 14 1.014 -7.568 -1.481 1.00 0.00 O ATOM 200 CB ALA A 14 -1.640 -6.502 0.418 1.00 0.00 C ATOM 0 H ALA A 14 0.008 -5.132 1.746 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.043 -7.900 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.121 -7.127 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.102 -6.682 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.760 -5.453 0.148 1.00 0.00 H new ATOM 206 N LEU A 15 0.653 -5.415 -1.331 1.00 0.00 N ATOM 207 CA LEU A 15 1.337 -5.209 -2.638 1.00 0.00 C ATOM 208 C LEU A 15 2.706 -5.898 -2.587 1.00 0.00 C ATOM 209 O LEU A 15 3.184 -6.427 -3.569 1.00 0.00 O ATOM 210 CB LEU A 15 1.547 -3.715 -2.923 1.00 0.00 C ATOM 211 CG LEU A 15 0.230 -3.050 -3.386 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.278 -1.539 -3.112 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.038 -3.252 -4.895 1.00 0.00 C ATOM 0 H LEU A 15 0.298 -4.573 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 15 0.715 -5.629 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.914 -3.218 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.311 -3.591 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.593 -3.508 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.654 -1.080 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.409 -1.367 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.113 -1.097 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.893 -2.780 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.873 -2.802 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.003 -4.318 -5.117 1.00 0.00 H new ATOM 225 N TYR A 16 3.341 -5.883 -1.445 1.00 0.00 N ATOM 226 CA TYR A 16 4.680 -6.525 -1.329 1.00 0.00 C ATOM 227 C TYR A 16 4.643 -7.942 -1.915 1.00 0.00 C ATOM 228 O TYR A 16 5.482 -8.300 -2.715 1.00 0.00 O ATOM 229 CB TYR A 16 5.101 -6.561 0.140 1.00 0.00 C ATOM 230 CG TYR A 16 6.429 -7.274 0.268 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.573 -6.740 -0.338 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.515 -8.467 0.992 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.802 -7.400 -0.218 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.743 -9.128 1.113 1.00 0.00 C ATOM 235 CZ TYR A 16 8.887 -8.594 0.507 1.00 0.00 C ATOM 236 OH TYR A 16 10.098 -9.245 0.626 1.00 0.00 O ATOM 0 H TYR A 16 2.989 -5.454 -0.589 1.00 0.00 H new ATOM 0 HA TYR A 16 5.409 -5.944 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.182 -5.547 0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.343 -7.072 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.507 -5.819 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.633 -8.879 1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.684 -6.988 -0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.808 -10.049 1.673 1.00 0.00 H new ATOM 0 HH TYR A 16 9.982 -10.057 1.162 1.00 0.00 H new ATOM 246 N LEU A 17 3.684 -8.754 -1.548 1.00 0.00 N ATOM 247 CA LEU A 17 3.636 -10.130 -2.129 1.00 0.00 C ATOM 248 C LEU A 17 3.284 -10.021 -3.608 1.00 0.00 C ATOM 249 O LEU A 17 3.938 -10.582 -4.465 1.00 0.00 O ATOM 250 CB LEU A 17 2.550 -10.975 -1.459 1.00 0.00 C ATOM 251 CG LEU A 17 2.805 -11.120 0.048 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.529 -9.789 0.770 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.883 -12.221 0.605 1.00 0.00 C ATOM 0 H LEU A 17 2.944 -8.530 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 17 4.607 -10.601 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.576 -10.514 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.518 -11.962 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 17 3.848 -11.390 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.714 -9.909 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.186 -9.016 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.490 -9.498 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.055 -12.333 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.842 -11.946 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.098 -13.164 0.102 1.00 0.00 H new ATOM 265 N VAL A 18 2.237 -9.304 -3.904 1.00 0.00 N ATOM 266 CA VAL A 18 1.803 -9.147 -5.317 1.00 0.00 C ATOM 267 C VAL A 18 2.990 -8.717 -6.180 1.00 0.00 C ATOM 268 O VAL A 18 3.349 -9.373 -7.137 1.00 0.00 O ATOM 269 CB VAL A 18 0.715 -8.071 -5.384 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.161 -7.969 -6.796 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.430 -8.422 -4.435 1.00 0.00 C ATOM 0 H VAL A 18 1.659 -8.816 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 18 1.416 -10.096 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 18 1.159 -7.119 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.611 -7.201 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.964 -7.706 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.268 -8.927 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.198 -7.651 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.859 -9.382 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.051 -8.484 -3.415 1.00 0.00 H new ATOM 281 N CYS A 19 3.584 -7.607 -5.857 1.00 0.00 N ATOM 282 CA CYS A 19 4.731 -7.110 -6.664 1.00 0.00 C ATOM 283 C CYS A 19 5.986 -7.916 -6.334 1.00 0.00 C ATOM 284 O CYS A 19 6.905 -8.011 -7.122 1.00 0.00 O ATOM 285 CB CYS A 19 4.960 -5.638 -6.329 1.00 0.00 C ATOM 286 SG CYS A 19 3.363 -4.803 -6.156 1.00 0.00 S ATOM 0 H CYS A 19 3.325 -7.019 -5.065 1.00 0.00 H new ATOM 0 HA CYS A 19 4.513 -7.221 -7.726 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.531 -5.549 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.548 -5.163 -7.114 1.00 0.00 H new ATOM 291 N GLY A 20 6.024 -8.502 -5.178 1.00 0.00 N ATOM 292 CA GLY A 20 7.212 -9.313 -4.791 1.00 0.00 C ATOM 293 C GLY A 20 8.496 -8.505 -4.987 1.00 0.00 C ATOM 294 O GLY A 20 8.645 -7.417 -4.467 1.00 0.00 O ATOM 0 H GLY A 20 5.283 -8.457 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.125 -9.623 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.251 -10.222 -5.392 1.00 0.00 H new ATOM 298 N GLU A 21 9.432 -9.041 -5.722 1.00 0.00 N ATOM 299 CA GLU A 21 10.720 -8.323 -5.944 1.00 0.00 C ATOM 300 C GLU A 21 10.550 -7.237 -7.004 1.00 0.00 C ATOM 301 O GLU A 21 11.398 -6.381 -7.165 1.00 0.00 O ATOM 302 CB GLU A 21 11.775 -9.320 -6.420 1.00 0.00 C ATOM 303 CG GLU A 21 12.084 -10.309 -5.296 1.00 0.00 C ATOM 304 CD GLU A 21 13.295 -11.161 -5.682 1.00 0.00 C ATOM 305 OE1 GLU A 21 14.308 -10.587 -6.043 1.00 0.00 O ATOM 306 OE2 GLU A 21 13.187 -12.374 -5.609 1.00 0.00 O ATOM 0 H GLU A 21 9.360 -9.949 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 21 11.031 -7.861 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.416 -9.854 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.682 -8.793 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.285 -9.771 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.220 -10.948 -5.112 1.00 0.00 H new ATOM 313 N ARG A 22 9.476 -7.262 -7.738 1.00 0.00 N ATOM 314 CA ARG A 22 9.282 -6.229 -8.788 1.00 0.00 C ATOM 315 C ARG A 22 9.311 -4.839 -8.153 1.00 0.00 C ATOM 316 O ARG A 22 9.644 -3.862 -8.795 1.00 0.00 O ATOM 317 CB ARG A 22 7.932 -6.445 -9.474 1.00 0.00 C ATOM 318 CG ARG A 22 7.874 -7.855 -10.088 1.00 0.00 C ATOM 319 CD ARG A 22 6.410 -8.287 -10.294 1.00 0.00 C ATOM 320 NE ARG A 22 6.308 -9.099 -11.539 1.00 0.00 N ATOM 321 CZ ARG A 22 5.239 -9.813 -11.768 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.262 -9.820 -10.903 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.149 -10.520 -12.862 1.00 0.00 N ATOM 0 H ARG A 22 8.727 -7.950 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 22 10.082 -6.309 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.124 -6.320 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.785 -5.695 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.401 -7.866 -11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.382 -8.565 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.066 -8.868 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.766 -7.410 -10.364 1.00 0.00 H new ATOM 0 HE ARG A 22 7.074 -9.097 -12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.334 -9.268 -10.048 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.427 -10.378 -11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.914 -10.514 -13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.314 -11.078 -13.041 1.00 0.00 H new ATOM 337 N GLY A 23 8.956 -4.735 -6.902 1.00 0.00 N ATOM 338 CA GLY A 23 8.956 -3.401 -6.243 1.00 0.00 C ATOM 339 C GLY A 23 7.738 -2.619 -6.729 1.00 0.00 C ATOM 340 O GLY A 23 7.208 -2.885 -7.789 1.00 0.00 O ATOM 0 H GLY A 23 8.667 -5.514 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.925 -3.514 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.872 -2.861 -6.481 1.00 0.00 H new ATOM 344 N PHE A 24 7.276 -1.666 -5.969 1.00 0.00 N ATOM 345 CA PHE A 24 6.085 -0.893 -6.404 1.00 0.00 C ATOM 346 C PHE A 24 6.059 0.471 -5.724 1.00 0.00 C ATOM 347 O PHE A 24 6.850 0.764 -4.849 1.00 0.00 O ATOM 348 CB PHE A 24 4.825 -1.670 -6.035 1.00 0.00 C ATOM 349 CG PHE A 24 4.674 -1.718 -4.531 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.259 -2.760 -3.804 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.944 -0.724 -3.864 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.114 -2.813 -2.414 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.801 -0.779 -2.472 1.00 0.00 C ATOM 354 CZ PHE A 24 4.384 -1.823 -1.749 1.00 0.00 C ATOM 0 H PHE A 24 7.671 -1.391 -5.070 1.00 0.00 H new ATOM 0 HA PHE A 24 6.130 -0.744 -7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.951 -1.197 -6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.880 -2.682 -6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.823 -3.525 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.493 0.083 -4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.566 -3.619 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.240 -0.014 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.271 -1.865 -0.676 1.00 0.00 H new ATOM 364 N PHE A 25 5.139 1.299 -6.130 1.00 0.00 N ATOM 365 CA PHE A 25 5.005 2.664 -5.540 1.00 0.00 C ATOM 366 C PHE A 25 3.652 2.782 -4.844 1.00 0.00 C ATOM 367 O PHE A 25 2.647 2.312 -5.339 1.00 0.00 O ATOM 368 CB PHE A 25 5.074 3.702 -6.664 1.00 0.00 C ATOM 369 CG PHE A 25 4.017 3.387 -7.702 1.00 0.00 C ATOM 370 CD1 PHE A 25 2.685 3.774 -7.491 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.367 2.700 -8.871 1.00 0.00 C ATOM 372 CE1 PHE A 25 1.706 3.473 -8.450 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.390 2.402 -9.829 1.00 0.00 C ATOM 374 CZ PHE A 25 2.060 2.787 -9.618 1.00 0.00 C ATOM 0 H PHE A 25 4.460 1.085 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 25 5.807 2.834 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.917 4.702 -6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.063 3.694 -7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.413 4.304 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.392 2.400 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.681 3.770 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.662 1.875 -10.731 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.307 2.555 -10.357 1.00 0.00 H new ATOM 384 N TYR A 26 3.605 3.421 -3.708 1.00 0.00 N ATOM 385 CA TYR A 26 2.300 3.580 -3.011 1.00 0.00 C ATOM 386 C TYR A 26 1.554 4.740 -3.669 1.00 0.00 C ATOM 387 O TYR A 26 2.104 5.456 -4.483 1.00 0.00 O ATOM 388 CB TYR A 26 2.520 3.869 -1.517 1.00 0.00 C ATOM 389 CG TYR A 26 1.276 3.484 -0.740 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.915 2.136 -0.630 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.482 4.470 -0.137 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.236 1.777 0.081 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.669 4.106 0.574 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.026 2.760 0.683 1.00 0.00 C ATOM 395 OH TYR A 26 -2.160 2.402 1.383 1.00 0.00 O ATOM 0 H TYR A 26 4.408 3.837 -3.236 1.00 0.00 H new ATOM 0 HA TYR A 26 1.719 2.661 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.379 3.308 -1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.742 4.926 -1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.524 1.374 -1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.758 5.511 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.514 0.737 0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.280 4.866 1.038 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.939 1.696 2.025 1.00 0.00 H new ATOM 405 N THR A 27 0.312 4.929 -3.344 1.00 0.00 N ATOM 406 CA THR A 27 -0.451 6.037 -3.977 1.00 0.00 C ATOM 407 C THR A 27 0.142 7.391 -3.567 1.00 0.00 C ATOM 408 O THR A 27 1.067 7.466 -2.784 1.00 0.00 O ATOM 409 CB THR A 27 -1.914 5.958 -3.558 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.623 7.009 -4.184 1.00 0.00 O ATOM 411 CG2 THR A 27 -2.031 6.074 -2.036 1.00 0.00 C ATOM 0 H THR A 27 -0.209 4.368 -2.670 1.00 0.00 H new ATOM 0 HA THR A 27 -0.384 5.941 -5.061 1.00 0.00 H new ATOM 0 HB THR A 27 -2.335 5.000 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.584 6.894 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.080 6.016 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.480 5.260 -1.566 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.617 7.028 -1.711 1.00 0.00 H new ATOM 419 N ASP A 28 -0.374 8.459 -4.120 1.00 0.00 N ATOM 420 CA ASP A 28 0.164 9.817 -3.802 1.00 0.00 C ATOM 421 C ASP A 28 0.416 9.948 -2.272 1.00 0.00 C ATOM 422 O ASP A 28 -0.279 9.325 -1.493 1.00 0.00 O ATOM 423 CB ASP A 28 -0.862 10.881 -4.272 1.00 0.00 C ATOM 424 CG ASP A 28 -0.187 11.927 -5.172 1.00 0.00 C ATOM 425 OD1 ASP A 28 0.622 11.538 -5.998 1.00 0.00 O ATOM 426 OD2 ASP A 28 -0.495 13.098 -5.018 1.00 0.00 O ATOM 0 H ASP A 28 -1.150 8.449 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 28 1.112 9.970 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.673 10.396 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.307 11.372 -3.406 1.00 0.00 H new ATOM 431 N PRO A 29 1.393 10.759 -1.876 1.00 0.00 N ATOM 432 CA PRO A 29 1.715 10.970 -0.443 1.00 0.00 C ATOM 433 C PRO A 29 0.706 11.938 0.204 1.00 0.00 C ATOM 434 O PRO A 29 0.755 12.193 1.391 1.00 0.00 O ATOM 435 CB PRO A 29 3.106 11.630 -0.472 1.00 0.00 C ATOM 436 CG PRO A 29 3.257 12.262 -1.876 1.00 0.00 C ATOM 437 CD PRO A 29 2.270 11.523 -2.799 1.00 0.00 C ATOM 0 HA PRO A 29 1.683 10.043 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.193 12.387 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.889 10.894 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.036 13.329 -1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.279 12.159 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.694 12.223 -3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.793 10.860 -3.489 1.00 0.00 H new ATOM 445 N THR A 30 -0.167 12.516 -0.572 1.00 0.00 N ATOM 446 CA THR A 30 -1.128 13.510 -0.006 1.00 0.00 C ATOM 447 C THR A 30 -1.895 12.923 1.182 1.00 0.00 C ATOM 448 O THR A 30 -2.102 13.586 2.179 1.00 0.00 O ATOM 449 CB THR A 30 -2.109 13.927 -1.102 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.937 12.824 -1.440 1.00 0.00 O ATOM 451 CG2 THR A 30 -1.322 14.379 -2.335 1.00 0.00 C ATOM 0 H THR A 30 -0.259 12.345 -1.573 1.00 0.00 H new ATOM 0 HA THR A 30 -0.571 14.376 0.351 1.00 0.00 H new ATOM 0 HB THR A 30 -2.732 14.748 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.567 13.091 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.016 14.678 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.687 15.225 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.702 13.557 -2.692 1.00 0.00 H new ATOM 459 N GLY A 31 -2.308 11.694 1.103 1.00 0.00 N ATOM 460 CA GLY A 31 -3.048 11.086 2.249 1.00 0.00 C ATOM 461 C GLY A 31 -4.417 11.761 2.422 1.00 0.00 C ATOM 462 O GLY A 31 -5.288 11.242 3.092 1.00 0.00 O ATOM 0 H GLY A 31 -2.168 11.081 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.181 10.018 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.465 11.192 3.164 1.00 0.00 H new ATOM 466 N GLY A 32 -4.619 12.910 1.825 1.00 0.00 N ATOM 467 CA GLY A 32 -5.938 13.611 1.959 1.00 0.00 C ATOM 468 C GLY A 32 -6.808 13.273 0.751 1.00 0.00 C ATOM 469 O GLY A 32 -8.019 13.373 0.790 1.00 0.00 O ATOM 0 H GLY A 32 -3.929 13.394 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.436 13.303 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.786 14.688 2.024 1.00 0.00 H new ATOM 473 N GLY A 33 -6.191 12.858 -0.313 1.00 0.00 N ATOM 474 CA GLY A 33 -6.947 12.486 -1.536 1.00 0.00 C ATOM 475 C GLY A 33 -5.974 11.856 -2.539 1.00 0.00 C ATOM 476 O GLY A 33 -5.880 12.305 -3.664 1.00 0.00 O ATOM 0 H GLY A 33 -5.179 12.759 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.744 11.784 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.421 13.366 -1.970 1.00 0.00 H new ATOM 480 N PRO A 34 -5.265 10.835 -2.101 1.00 0.00 N ATOM 481 CA PRO A 34 -4.282 10.143 -2.955 1.00 0.00 C ATOM 482 C PRO A 34 -5.001 9.376 -4.071 1.00 0.00 C ATOM 483 O PRO A 34 -6.203 9.457 -4.224 1.00 0.00 O ATOM 484 CB PRO A 34 -3.576 9.164 -2.000 1.00 0.00 C ATOM 485 CG PRO A 34 -4.483 9.022 -0.760 1.00 0.00 C ATOM 486 CD PRO A 34 -5.376 10.273 -0.730 1.00 0.00 C ATOM 0 HA PRO A 34 -3.587 10.828 -3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.423 8.198 -2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.592 9.539 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.086 8.116 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.888 8.948 0.150 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.408 10.020 -0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.037 10.986 0.021 1.00 0.00 H new ATOM 494 N ARG A 35 -4.266 8.618 -4.837 1.00 0.00 N ATOM 495 CA ARG A 35 -4.895 7.828 -5.928 1.00 0.00 C ATOM 496 C ARG A 35 -5.983 6.940 -5.321 1.00 0.00 C ATOM 497 O ARG A 35 -5.747 5.799 -4.978 1.00 0.00 O ATOM 498 CB ARG A 35 -3.828 6.948 -6.603 1.00 0.00 C ATOM 499 CG ARG A 35 -4.290 6.544 -8.006 1.00 0.00 C ATOM 500 CD ARG A 35 -3.271 5.578 -8.616 1.00 0.00 C ATOM 501 NE ARG A 35 -3.634 5.299 -10.034 1.00 0.00 N ATOM 502 CZ ARG A 35 -2.761 4.753 -10.835 1.00 0.00 C ATOM 503 NH1 ARG A 35 -1.570 4.450 -10.394 1.00 0.00 N ATOM 504 NH2 ARG A 35 -3.077 4.511 -12.078 1.00 0.00 N ATOM 0 H ARG A 35 -3.255 8.513 -4.753 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.331 8.495 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.884 7.490 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.646 6.058 -6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.271 6.072 -7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.393 7.428 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.271 6.008 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.249 4.649 -8.046 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.565 5.535 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.322 4.640 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.888 4.023 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.007 4.749 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.394 4.084 -12.704 1.00 0.00 H new ATOM 518 N ARG A 36 -7.173 7.450 -5.186 1.00 0.00 N ATOM 519 CA ARG A 36 -8.262 6.624 -4.603 1.00 0.00 C ATOM 520 C ARG A 36 -8.448 5.380 -5.474 1.00 0.00 C ATOM 521 O ARG A 36 -9.253 4.519 -5.184 1.00 0.00 O ATOM 522 CB ARG A 36 -9.559 7.440 -4.570 1.00 0.00 C ATOM 523 CG ARG A 36 -9.633 8.326 -5.817 1.00 0.00 C ATOM 524 CD ARG A 36 -11.078 8.779 -6.045 1.00 0.00 C ATOM 525 NE ARG A 36 -11.638 9.313 -4.771 1.00 0.00 N ATOM 526 CZ ARG A 36 -12.736 10.019 -4.787 1.00 0.00 C ATOM 527 NH1 ARG A 36 -13.344 10.254 -5.917 1.00 0.00 N ATOM 528 NH2 ARG A 36 -13.226 10.490 -3.673 1.00 0.00 N ATOM 0 H ARG A 36 -7.438 8.398 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.008 6.326 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.420 6.773 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.592 8.055 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.985 9.194 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.273 7.777 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.112 9.545 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.681 7.942 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.164 9.127 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.962 9.886 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.202 10.806 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.751 10.307 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.084 11.042 -3.686 1.00 0.00 H new ATOM 542 N GLY A 37 -7.706 5.284 -6.541 1.00 0.00 N ATOM 543 CA GLY A 37 -7.836 4.103 -7.432 1.00 0.00 C ATOM 544 C GLY A 37 -7.249 2.867 -6.750 1.00 0.00 C ATOM 545 O GLY A 37 -7.625 1.757 -7.060 1.00 0.00 O ATOM 0 H GLY A 37 -7.015 5.975 -6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.885 3.932 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.319 4.289 -8.374 1.00 0.00 H new ATOM 549 N ILE A 38 -6.317 3.038 -5.834 1.00 0.00 N ATOM 550 CA ILE A 38 -5.708 1.850 -5.143 1.00 0.00 C ATOM 551 C ILE A 38 -6.308 1.681 -3.733 1.00 0.00 C ATOM 552 O ILE A 38 -6.797 0.625 -3.383 1.00 0.00 O ATOM 553 CB ILE A 38 -4.151 2.016 -5.093 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.431 0.679 -5.411 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.649 2.537 -3.733 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.112 -0.525 -4.733 1.00 0.00 C ATOM 0 H ILE A 38 -5.954 3.944 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.938 0.944 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.911 2.758 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.415 0.525 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.394 0.740 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.563 2.632 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.094 3.511 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.934 1.837 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.572 -1.438 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.105 -0.386 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.142 -0.604 -5.082 1.00 0.00 H new ATOM 568 N VAL A 39 -6.226 2.691 -2.906 1.00 0.00 N ATOM 569 CA VAL A 39 -6.737 2.555 -1.511 1.00 0.00 C ATOM 570 C VAL A 39 -8.241 2.283 -1.492 1.00 0.00 C ATOM 571 O VAL A 39 -8.675 1.248 -1.044 1.00 0.00 O ATOM 572 CB VAL A 39 -6.438 3.837 -0.722 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.543 3.547 0.779 1.00 0.00 C ATOM 574 CG2 VAL A 39 -5.022 4.333 -1.053 1.00 0.00 C ATOM 0 H VAL A 39 -5.828 3.602 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.231 1.707 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.160 4.606 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.331 4.457 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.550 3.202 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.823 2.776 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.815 5.243 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.296 3.566 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.950 4.542 -2.120 1.00 0.00 H new ATOM 584 N GLU A 40 -9.043 3.201 -1.951 1.00 0.00 N ATOM 585 CA GLU A 40 -10.518 2.972 -1.922 1.00 0.00 C ATOM 586 C GLU A 40 -10.870 1.675 -2.655 1.00 0.00 C ATOM 587 O GLU A 40 -11.644 0.873 -2.173 1.00 0.00 O ATOM 588 CB GLU A 40 -11.236 4.143 -2.592 1.00 0.00 C ATOM 589 CG GLU A 40 -10.816 5.453 -1.922 1.00 0.00 C ATOM 590 CD GLU A 40 -11.777 6.570 -2.332 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.703 6.285 -3.074 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.571 7.691 -1.899 1.00 0.00 O ATOM 0 H GLU A 40 -8.747 4.095 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.838 2.892 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.993 4.172 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.315 4.013 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.819 5.336 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.797 5.711 -2.212 1.00 0.00 H new ATOM 599 N GLN A 41 -10.320 1.464 -3.817 1.00 0.00 N ATOM 600 CA GLN A 41 -10.643 0.220 -4.574 1.00 0.00 C ATOM 601 C GLN A 41 -10.530 -0.997 -3.657 1.00 0.00 C ATOM 602 O GLN A 41 -11.459 -1.765 -3.512 1.00 0.00 O ATOM 603 CB GLN A 41 -9.670 0.063 -5.746 1.00 0.00 C ATOM 604 CG GLN A 41 -10.160 -1.052 -6.672 1.00 0.00 C ATOM 605 CD GLN A 41 -11.416 -0.597 -7.401 1.00 0.00 C ATOM 606 OE1 GLN A 41 -11.515 0.536 -7.827 1.00 0.00 O ATOM 607 NE2 GLN A 41 -12.389 -1.445 -7.562 1.00 0.00 N ATOM 0 H GLN A 41 -9.663 2.095 -4.275 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.663 0.292 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.594 1.000 -6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.672 -0.171 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.383 -1.308 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.369 -1.952 -6.094 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.302 -2.396 -7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.239 -1.159 -8.048 1.00 0.00 H new ATOM 616 N CYS A 42 -9.393 -1.194 -3.053 1.00 0.00 N ATOM 617 CA CYS A 42 -9.214 -2.377 -2.164 1.00 0.00 C ATOM 618 C CYS A 42 -9.730 -2.086 -0.747 1.00 0.00 C ATOM 619 O CYS A 42 -10.153 -2.981 -0.043 1.00 0.00 O ATOM 620 CB CYS A 42 -7.732 -2.738 -2.115 1.00 0.00 C ATOM 621 SG CYS A 42 -7.124 -2.989 -3.799 1.00 0.00 S ATOM 0 H CYS A 42 -8.578 -0.587 -3.136 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.790 -3.211 -2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.168 -1.943 -1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.585 -3.642 -1.524 1.00 0.00 H new ATOM 626 N CYS A 43 -9.708 -0.851 -0.317 1.00 0.00 N ATOM 627 CA CYS A 43 -10.208 -0.534 1.059 1.00 0.00 C ATOM 628 C CYS A 43 -11.727 -0.379 1.019 1.00 0.00 C ATOM 629 O CYS A 43 -12.444 -0.998 1.779 1.00 0.00 O ATOM 630 CB CYS A 43 -9.578 0.768 1.574 1.00 0.00 C ATOM 631 SG CYS A 43 -10.175 1.090 3.254 1.00 0.00 S ATOM 0 H CYS A 43 -9.369 -0.052 -0.853 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.932 -1.347 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.491 0.687 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.838 1.598 0.917 1.00 0.00 H new ATOM 636 N HIS A 44 -12.223 0.442 0.136 1.00 0.00 N ATOM 637 CA HIS A 44 -13.695 0.635 0.046 1.00 0.00 C ATOM 638 C HIS A 44 -14.335 -0.631 -0.525 1.00 0.00 C ATOM 639 O HIS A 44 -15.477 -0.940 -0.246 1.00 0.00 O ATOM 640 CB HIS A 44 -14.001 1.827 -0.868 1.00 0.00 C ATOM 641 CG HIS A 44 -15.409 2.295 -0.635 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.494 1.428 -0.640 1.00 0.00 N ATOM 643 CD2 HIS A 44 -15.922 3.539 -0.387 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.598 2.160 -0.400 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.301 3.450 -0.239 1.00 0.00 N ATOM 0 H HIS A 44 -11.672 0.987 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.101 0.832 1.038 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.300 2.638 -0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.871 1.540 -1.912 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.460 0.421 -0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.345 4.449 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.597 1.754 -0.345 1.00 0.00 H new ATOM 653 N SER A 45 -13.602 -1.370 -1.322 1.00 0.00 N ATOM 654 CA SER A 45 -14.156 -2.628 -1.918 1.00 0.00 C ATOM 655 C SER A 45 -13.101 -3.736 -1.841 1.00 0.00 C ATOM 656 O SER A 45 -11.924 -3.476 -1.699 1.00 0.00 O ATOM 657 CB SER A 45 -14.536 -2.377 -3.381 1.00 0.00 C ATOM 658 OG SER A 45 -15.128 -1.089 -3.496 1.00 0.00 O ATOM 0 H SER A 45 -12.640 -1.156 -1.587 1.00 0.00 H new ATOM 0 HA SER A 45 -15.043 -2.935 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.652 -2.442 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.232 -3.142 -3.725 1.00 0.00 H new ATOM 0 HG SER A 45 -15.371 -0.923 -4.431 1.00 0.00 H new ATOM 664 N ILE A 46 -13.517 -4.970 -1.931 1.00 0.00 N ATOM 665 CA ILE A 46 -12.548 -6.097 -1.863 1.00 0.00 C ATOM 666 C ILE A 46 -11.926 -6.308 -3.249 1.00 0.00 C ATOM 667 O ILE A 46 -12.516 -6.924 -4.114 1.00 0.00 O ATOM 668 CB ILE A 46 -13.287 -7.379 -1.433 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.339 -7.070 -0.349 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.290 -8.396 -0.884 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.664 -6.577 0.937 1.00 0.00 C ATOM 0 H ILE A 46 -14.492 -5.246 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.765 -5.868 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.790 -7.788 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.033 -6.313 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.925 -7.965 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.820 -9.299 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.561 -8.644 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.776 -7.972 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.424 -6.365 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.989 -7.346 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.099 -5.669 0.726 1.00 0.00 H new ATOM 683 N CYS A 47 -10.737 -5.806 -3.468 1.00 0.00 N ATOM 684 CA CYS A 47 -10.083 -5.985 -4.801 1.00 0.00 C ATOM 685 C CYS A 47 -9.235 -7.259 -4.782 1.00 0.00 C ATOM 686 O CYS A 47 -8.726 -7.662 -3.754 1.00 0.00 O ATOM 687 CB CYS A 47 -9.191 -4.772 -5.108 1.00 0.00 C ATOM 688 SG CYS A 47 -7.623 -4.901 -4.207 1.00 0.00 S ATOM 0 H CYS A 47 -10.192 -5.281 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.848 -6.069 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.999 -4.715 -6.179 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.705 -3.853 -4.827 1.00 0.00 H new ATOM 693 N SER A 48 -9.073 -7.893 -5.911 1.00 0.00 N ATOM 694 CA SER A 48 -8.251 -9.136 -5.961 1.00 0.00 C ATOM 695 C SER A 48 -6.780 -8.757 -6.166 1.00 0.00 C ATOM 696 O SER A 48 -6.457 -7.631 -6.491 1.00 0.00 O ATOM 697 CB SER A 48 -8.733 -10.027 -7.118 1.00 0.00 C ATOM 698 OG SER A 48 -10.103 -9.752 -7.379 1.00 0.00 O ATOM 0 H SER A 48 -9.475 -7.604 -6.803 1.00 0.00 H new ATOM 0 HA SER A 48 -8.355 -9.686 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.136 -9.840 -8.010 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.603 -11.078 -6.862 1.00 0.00 H new ATOM 0 HG SER A 48 -10.415 -10.316 -8.117 1.00 0.00 H new ATOM 704 N LEU A 49 -5.891 -9.690 -5.985 1.00 0.00 N ATOM 705 CA LEU A 49 -4.446 -9.390 -6.175 1.00 0.00 C ATOM 706 C LEU A 49 -4.247 -8.855 -7.587 1.00 0.00 C ATOM 707 O LEU A 49 -3.428 -7.992 -7.836 1.00 0.00 O ATOM 708 CB LEU A 49 -3.623 -10.670 -5.992 1.00 0.00 C ATOM 709 CG LEU A 49 -4.005 -11.374 -4.677 1.00 0.00 C ATOM 710 CD1 LEU A 49 -2.937 -12.410 -4.318 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.086 -10.365 -3.535 1.00 0.00 C ATOM 0 H LEU A 49 -6.103 -10.650 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.119 -8.652 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.793 -11.342 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.560 -10.428 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.974 -11.853 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.210 -12.907 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.864 -13.149 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.975 -11.913 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.357 -10.880 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.118 -9.880 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.841 -9.613 -3.766 1.00 0.00 H new ATOM 723 N TYR A 50 -5.009 -9.363 -8.508 1.00 0.00 N ATOM 724 CA TYR A 50 -4.922 -8.917 -9.912 1.00 0.00 C ATOM 725 C TYR A 50 -4.831 -7.397 -9.972 1.00 0.00 C ATOM 726 O TYR A 50 -3.904 -6.831 -10.516 1.00 0.00 O ATOM 727 CB TYR A 50 -6.200 -9.381 -10.610 1.00 0.00 C ATOM 728 CG TYR A 50 -5.950 -9.511 -12.072 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.361 -10.670 -12.546 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.304 -8.482 -12.937 1.00 0.00 C ATOM 731 CE1 TYR A 50 -5.116 -10.818 -13.914 1.00 0.00 C ATOM 732 CE2 TYR A 50 -6.065 -8.617 -14.308 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.470 -9.789 -14.799 1.00 0.00 C ATOM 734 OH TYR A 50 -5.231 -9.928 -16.151 1.00 0.00 O ATOM 0 H TYR A 50 -5.706 -10.088 -8.337 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.037 -9.332 -10.394 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.524 -10.337 -10.200 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.004 -8.668 -10.430 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.091 -11.459 -11.860 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.761 -7.583 -12.552 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.656 -11.721 -14.288 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.337 -7.822 -14.987 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.537 -9.125 -16.622 1.00 0.00 H new ATOM 744 N GLN A 51 -5.799 -6.744 -9.415 1.00 0.00 N ATOM 745 CA GLN A 51 -5.798 -5.258 -9.429 1.00 0.00 C ATOM 746 C GLN A 51 -4.548 -4.759 -8.725 1.00 0.00 C ATOM 747 O GLN A 51 -3.888 -3.846 -9.179 1.00 0.00 O ATOM 748 CB GLN A 51 -7.041 -4.740 -8.708 1.00 0.00 C ATOM 749 CG GLN A 51 -8.254 -5.569 -9.146 1.00 0.00 C ATOM 750 CD GLN A 51 -9.541 -4.859 -8.734 1.00 0.00 C ATOM 751 OE1 GLN A 51 -10.331 -5.391 -7.979 1.00 0.00 O ATOM 752 NE2 GLN A 51 -9.786 -3.673 -9.208 1.00 0.00 N ATOM 0 H GLN A 51 -6.597 -7.173 -8.947 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.807 -4.896 -10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.907 -4.810 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.200 -3.687 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.237 -5.713 -10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.213 -6.559 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.121 -3.229 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.643 -3.186 -8.946 1.00 0.00 H new ATOM 761 N LEU A 52 -4.203 -5.362 -7.626 1.00 0.00 N ATOM 762 CA LEU A 52 -2.984 -4.925 -6.916 1.00 0.00 C ATOM 763 C LEU A 52 -1.797 -5.147 -7.839 1.00 0.00 C ATOM 764 O LEU A 52 -0.829 -4.412 -7.826 1.00 0.00 O ATOM 765 CB LEU A 52 -2.814 -5.736 -5.637 1.00 0.00 C ATOM 766 CG LEU A 52 -3.974 -5.440 -4.677 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.759 -6.231 -3.400 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.027 -3.941 -4.336 1.00 0.00 C ATOM 0 H LEU A 52 -4.711 -6.134 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.057 -3.871 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.786 -6.800 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.865 -5.489 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.913 -5.723 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.576 -6.031 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.732 -7.296 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.815 -5.935 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.856 -3.752 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.092 -3.642 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.170 -3.365 -5.250 1.00 0.00 H new ATOM 780 N GLU A 53 -1.879 -6.158 -8.653 1.00 0.00 N ATOM 781 CA GLU A 53 -0.779 -6.448 -9.603 1.00 0.00 C ATOM 782 C GLU A 53 -0.774 -5.343 -10.664 1.00 0.00 C ATOM 783 O GLU A 53 0.127 -5.236 -11.472 1.00 0.00 O ATOM 784 CB GLU A 53 -1.028 -7.842 -10.240 1.00 0.00 C ATOM 785 CG GLU A 53 0.234 -8.732 -10.158 1.00 0.00 C ATOM 786 CD GLU A 53 0.220 -9.767 -11.289 1.00 0.00 C ATOM 787 OE1 GLU A 53 -0.566 -10.696 -11.205 1.00 0.00 O ATOM 788 OE2 GLU A 53 0.996 -9.611 -12.218 1.00 0.00 O ATOM 0 H GLU A 53 -2.669 -6.801 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 53 0.190 -6.469 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.856 -8.334 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.322 -7.720 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.130 -8.115 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.271 -9.237 -9.193 1.00 0.00 H new ATOM 795 N ASN A 54 -1.790 -4.526 -10.655 1.00 0.00 N ATOM 796 CA ASN A 54 -1.885 -3.420 -11.643 1.00 0.00 C ATOM 797 C ASN A 54 -0.926 -2.293 -11.250 1.00 0.00 C ATOM 798 O ASN A 54 -0.445 -1.556 -12.088 1.00 0.00 O ATOM 799 CB ASN A 54 -3.331 -2.896 -11.655 1.00 0.00 C ATOM 800 CG ASN A 54 -3.627 -2.193 -12.980 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.726 -1.737 -13.656 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.864 -2.088 -13.379 1.00 0.00 N ATOM 0 H ASN A 54 -2.567 -4.580 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.614 -3.781 -12.635 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.026 -3.723 -11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.482 -2.204 -10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.078 -1.622 -14.261 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.618 -2.472 -12.809 1.00 0.00 H new ATOM 809 N TYR A 55 -0.651 -2.150 -9.978 1.00 0.00 N ATOM 810 CA TYR A 55 0.270 -1.067 -9.514 1.00 0.00 C ATOM 811 C TYR A 55 1.650 -1.652 -9.205 1.00 0.00 C ATOM 812 O TYR A 55 2.519 -0.971 -8.698 1.00 0.00 O ATOM 813 CB TYR A 55 -0.310 -0.433 -8.249 1.00 0.00 C ATOM 814 CG TYR A 55 -1.787 -0.220 -8.440 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.669 -1.266 -8.190 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.267 1.016 -8.872 1.00 0.00 C ATOM 817 CE1 TYR A 55 -4.049 -1.084 -8.369 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.642 1.206 -9.055 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.534 0.156 -8.802 1.00 0.00 C ATOM 820 OH TYR A 55 -5.890 0.342 -8.982 1.00 0.00 O ATOM 0 H TYR A 55 -1.027 -2.741 -9.236 1.00 0.00 H new ATOM 0 HA TYR A 55 0.372 -0.314 -10.296 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.131 -1.078 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.184 0.517 -8.044 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.291 -2.221 -7.857 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.579 1.826 -9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.733 -1.896 -8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.015 2.162 -9.391 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.254 0.849 -8.226 1.00 0.00 H new ATOM 830 N CYS A 56 1.866 -2.904 -9.506 1.00 0.00 N ATOM 831 CA CYS A 56 3.198 -3.509 -9.223 1.00 0.00 C ATOM 832 C CYS A 56 4.178 -3.113 -10.329 1.00 0.00 C ATOM 833 O CYS A 56 4.060 -3.543 -11.459 1.00 0.00 O ATOM 834 CB CYS A 56 3.076 -5.032 -9.179 1.00 0.00 C ATOM 835 SG CYS A 56 2.231 -5.539 -7.658 1.00 0.00 S ATOM 0 H CYS A 56 1.183 -3.530 -9.933 1.00 0.00 H new ATOM 0 HA CYS A 56 3.561 -3.148 -8.261 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.522 -5.387 -10.048 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.066 -5.486 -9.224 1.00 0.00 H new ATOM 840 N ASN A 57 5.146 -2.297 -10.014 1.00 0.00 N ATOM 841 CA ASN A 57 6.131 -1.877 -11.050 1.00 0.00 C ATOM 842 C ASN A 57 5.385 -1.392 -12.295 1.00 0.00 C ATOM 843 O ASN A 57 5.537 -2.016 -13.332 1.00 0.00 O ATOM 844 CB ASN A 57 7.020 -3.065 -11.420 1.00 0.00 C ATOM 845 CG ASN A 57 7.993 -2.650 -12.523 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.351 -3.448 -13.367 1.00 0.00 O ATOM 847 ND2 ASN A 57 8.437 -1.425 -12.553 1.00 0.00 N ATOM 848 OXT ASN A 57 4.676 -0.405 -12.191 1.00 0.00 O ATOM 0 H ASN A 57 5.297 -1.903 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 57 6.749 -1.069 -10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.571 -3.407 -10.544 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.407 -3.901 -11.757 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.085 -1.135 -13.285 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.136 -0.756 -11.844 1.00 0.00 H new TER 855 ASN A 57