USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 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 41 GLN :FLIP amide:sc= -0.754 F(o=-3.7,f=-2.4) USER MOD Set 1.2: A 51 GLN :FLIP amide:sc= -2.05 F(o=-3.6,f=-2.4) USER MOD Set 1.3: A 55 TYR OH : rot 100:sc= 0.451 USER MOD Set 2.1: A 1 PHE N :NH3+ -177:sc= -1.79! (180deg=-0.276) USER MOD Set 2.2: A 4 GLN :FLIP amide:sc= -1.66! C(o=-13!,f=-3.4!) USER MOD Single : A 3 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.3!) USER MOD Single : A 5 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.58) 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 52:sc= 0.00697 USER MOD Single : A 27 THR OG1 : rot 171:sc= -6.42! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 44 HIS : no HE2:sc= -0.923! C(o=-0.92!,f=-7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.33!) USER MOD Single : A 57 ASN : amide:sc= -0.869 X(o=-0.87,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.588 -12.445 2.785 1.00 0.00 N ATOM 2 CA PHE A 1 -5.403 -11.619 1.558 1.00 0.00 C ATOM 3 C PHE A 1 -6.348 -12.137 0.471 1.00 0.00 C ATOM 4 O PHE A 1 -6.048 -12.079 -0.705 1.00 0.00 O ATOM 5 CB PHE A 1 -3.948 -11.757 1.087 1.00 0.00 C ATOM 6 CG PHE A 1 -3.518 -10.662 0.137 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.423 -9.766 -0.448 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.158 -10.555 -0.157 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.958 -8.785 -1.314 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.697 -9.571 -1.020 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.592 -8.684 -1.600 1.00 0.00 C ATOM 0 H1 PHE A 1 -4.988 -12.072 3.548 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.585 -12.411 3.080 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.320 -13.430 2.584 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.623 -10.572 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.290 -11.753 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.822 -12.723 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.478 -9.838 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.458 -11.244 0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.654 -8.096 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.642 -9.496 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.235 -7.917 -2.271 1.00 0.00 H new ATOM 23 N VAL A 2 -7.476 -12.668 0.862 1.00 0.00 N ATOM 24 CA VAL A 2 -8.443 -13.225 -0.133 1.00 0.00 C ATOM 25 C VAL A 2 -9.607 -12.249 -0.359 1.00 0.00 C ATOM 26 O VAL A 2 -9.547 -11.383 -1.211 1.00 0.00 O ATOM 27 CB VAL A 2 -8.980 -14.554 0.427 1.00 0.00 C ATOM 28 CG1 VAL A 2 -8.011 -15.691 0.085 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.119 -14.451 1.957 1.00 0.00 C ATOM 0 H VAL A 2 -7.772 -12.741 1.835 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.944 -13.382 -1.089 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.954 -14.760 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.396 -16.630 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.911 -15.771 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.036 -15.483 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.499 -15.393 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.145 -14.240 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.812 -13.647 2.206 1.00 0.00 H new ATOM 39 N ASN A 3 -10.669 -12.395 0.390 1.00 0.00 N ATOM 40 CA ASN A 3 -11.858 -11.498 0.227 1.00 0.00 C ATOM 41 C ASN A 3 -11.861 -10.436 1.323 1.00 0.00 C ATOM 42 O ASN A 3 -12.895 -9.919 1.697 1.00 0.00 O ATOM 43 CB ASN A 3 -13.142 -12.327 0.319 1.00 0.00 C ATOM 44 CG ASN A 3 -13.029 -13.549 -0.590 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.217 -14.420 -0.361 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.821 -13.653 -1.617 1.00 0.00 N ATOM 0 H ASN A 3 -10.767 -13.105 1.116 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.806 -11.010 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.311 -12.642 1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.000 -11.721 0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.759 -14.467 -2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.504 -12.921 -1.810 1.00 0.00 H new ATOM 53 N GLN A 4 -10.714 -10.113 1.847 1.00 0.00 N ATOM 54 CA GLN A 4 -10.638 -9.089 2.930 1.00 0.00 C ATOM 55 C GLN A 4 -10.311 -7.721 2.324 1.00 0.00 C ATOM 56 O GLN A 4 -9.822 -7.615 1.216 1.00 0.00 O ATOM 57 CB GLN A 4 -9.552 -9.498 3.942 1.00 0.00 C ATOM 58 CG GLN A 4 -8.457 -10.310 3.239 1.00 0.00 C ATOM 59 CD GLN A 4 -7.354 -10.658 4.237 1.00 0.00 C ATOM 60 OE1 GLN A 4 -7.187 -11.904 4.587 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 -6.641 -9.792 4.702 1.00 0.00 N flip ATOM 0 H GLN A 4 -9.818 -10.516 1.572 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.598 -9.024 3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.119 -8.610 4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.995 -10.088 4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.881 -11.222 2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.043 -9.738 2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.774 -8.819 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.909 -10.038 5.368 1.00 0.00 H new ATOM 70 N HIS A 5 -10.603 -6.674 3.047 1.00 0.00 N ATOM 71 CA HIS A 5 -10.345 -5.297 2.539 1.00 0.00 C ATOM 72 C HIS A 5 -8.962 -4.812 2.979 1.00 0.00 C ATOM 73 O HIS A 5 -8.557 -4.991 4.111 1.00 0.00 O ATOM 74 CB HIS A 5 -11.406 -4.358 3.111 1.00 0.00 C ATOM 75 CG HIS A 5 -11.282 -4.316 4.609 1.00 0.00 C ATOM 76 ND1 HIS A 5 -10.605 -3.297 5.268 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.740 -5.159 5.592 1.00 0.00 C ATOM 78 CE1 HIS A 5 -10.674 -3.552 6.588 1.00 0.00 C ATOM 79 NE2 HIS A 5 -11.353 -4.672 6.834 1.00 0.00 N ATOM 0 H HIS A 5 -11.014 -6.715 3.979 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.384 -5.305 1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.283 -3.357 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.401 -4.700 2.827 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.312 -6.060 5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.234 -2.927 7.352 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.548 -5.086 7.746 1.00 0.00 H new ATOM 87 N LEU A 6 -8.240 -4.185 2.088 1.00 0.00 N ATOM 88 CA LEU A 6 -6.882 -3.662 2.429 1.00 0.00 C ATOM 89 C LEU A 6 -6.992 -2.157 2.689 1.00 0.00 C ATOM 90 O LEU A 6 -7.558 -1.424 1.905 1.00 0.00 O ATOM 91 CB LEU A 6 -5.932 -3.897 1.238 1.00 0.00 C ATOM 92 CG LEU A 6 -5.188 -5.253 1.339 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.047 -6.347 1.989 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.799 -5.707 -0.069 1.00 0.00 C ATOM 0 H LEU A 6 -8.536 -4.011 1.128 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.495 -4.172 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.502 -3.866 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.203 -3.088 1.192 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.310 -5.103 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.479 -7.276 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.324 -6.041 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.948 -6.502 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.274 -6.661 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.697 -5.823 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.148 -4.961 -0.525 1.00 0.00 H new ATOM 106 N CYS A 7 -6.441 -1.689 3.773 1.00 0.00 N ATOM 107 CA CYS A 7 -6.502 -0.230 4.072 1.00 0.00 C ATOM 108 C CYS A 7 -5.235 0.182 4.832 1.00 0.00 C ATOM 109 O CYS A 7 -4.905 -0.374 5.859 1.00 0.00 O ATOM 110 CB CYS A 7 -7.757 0.059 4.913 1.00 0.00 C ATOM 111 SG CYS A 7 -8.457 1.662 4.436 1.00 0.00 S ATOM 0 H CYS A 7 -5.950 -2.254 4.466 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.558 0.344 3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.495 -0.729 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.503 0.063 5.973 1.00 0.00 H new ATOM 116 N GLY A 8 -4.529 1.155 4.332 1.00 0.00 N ATOM 117 CA GLY A 8 -3.285 1.606 5.021 1.00 0.00 C ATOM 118 C GLY A 8 -2.183 0.552 4.855 1.00 0.00 C ATOM 119 O GLY A 8 -2.106 -0.130 3.852 1.00 0.00 O ATOM 0 H GLY A 8 -4.758 1.659 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.954 2.558 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.485 1.772 6.080 1.00 0.00 H new ATOM 123 N SER A 9 -1.325 0.422 5.833 1.00 0.00 N ATOM 124 CA SER A 9 -0.217 -0.576 5.743 1.00 0.00 C ATOM 125 C SER A 9 -0.755 -1.921 5.246 1.00 0.00 C ATOM 126 O SER A 9 -0.068 -2.654 4.563 1.00 0.00 O ATOM 127 CB SER A 9 0.411 -0.762 7.124 1.00 0.00 C ATOM 128 OG SER A 9 0.898 0.490 7.590 1.00 0.00 O ATOM 0 H SER A 9 -1.344 0.967 6.695 1.00 0.00 H new ATOM 0 HA SER A 9 0.532 -0.211 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.326 -1.161 7.821 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.225 -1.485 7.072 1.00 0.00 H new ATOM 0 HG SER A 9 1.300 0.375 8.476 1.00 0.00 H new ATOM 134 N ASP A 10 -1.976 -2.254 5.575 1.00 0.00 N ATOM 135 CA ASP A 10 -2.541 -3.554 5.108 1.00 0.00 C ATOM 136 C ASP A 10 -2.274 -3.695 3.608 1.00 0.00 C ATOM 137 O ASP A 10 -1.773 -4.700 3.144 1.00 0.00 O ATOM 138 CB ASP A 10 -4.054 -3.573 5.378 1.00 0.00 C ATOM 139 CG ASP A 10 -4.322 -4.034 6.815 1.00 0.00 C ATOM 140 OD1 ASP A 10 -3.680 -3.514 7.712 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.164 -4.899 6.991 1.00 0.00 O ATOM 0 H ASP A 10 -2.603 -1.685 6.144 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.074 -4.383 5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.473 -2.579 5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.549 -4.242 4.674 1.00 0.00 H new ATOM 146 N LEU A 11 -2.604 -2.689 2.851 1.00 0.00 N ATOM 147 CA LEU A 11 -2.369 -2.751 1.385 1.00 0.00 C ATOM 148 C LEU A 11 -0.882 -3.010 1.115 1.00 0.00 C ATOM 149 O LEU A 11 -0.520 -3.931 0.411 1.00 0.00 O ATOM 150 CB LEU A 11 -2.780 -1.415 0.744 1.00 0.00 C ATOM 151 CG LEU A 11 -2.369 -1.385 -0.734 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.868 -2.631 -1.450 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.978 -0.159 -1.415 1.00 0.00 C ATOM 0 H LEU A 11 -3.028 -1.824 3.186 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.962 -3.559 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.858 -1.278 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.309 -0.588 1.276 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.281 -1.345 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.568 -2.594 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.439 -3.517 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.955 -2.677 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.683 -0.142 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.065 -0.206 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.621 0.746 -0.923 1.00 0.00 H new ATOM 165 N VAL A 12 -0.020 -2.193 1.660 1.00 0.00 N ATOM 166 CA VAL A 12 1.443 -2.380 1.424 1.00 0.00 C ATOM 167 C VAL A 12 1.820 -3.849 1.622 1.00 0.00 C ATOM 168 O VAL A 12 2.212 -4.529 0.695 1.00 0.00 O ATOM 169 CB VAL A 12 2.242 -1.524 2.413 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.726 -1.549 2.033 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.741 -0.078 2.373 1.00 0.00 C ATOM 0 H VAL A 12 -0.265 -1.404 2.258 1.00 0.00 H new ATOM 0 HA VAL A 12 1.675 -2.077 0.403 1.00 0.00 H new ATOM 0 HB VAL A 12 2.111 -1.928 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.292 -0.940 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.092 -2.575 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.851 -1.150 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.313 0.525 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.867 0.323 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.686 -0.051 2.645 1.00 0.00 H new ATOM 181 N GLU A 13 1.716 -4.344 2.826 1.00 0.00 N ATOM 182 CA GLU A 13 2.080 -5.767 3.077 1.00 0.00 C ATOM 183 C GLU A 13 1.420 -6.651 2.025 1.00 0.00 C ATOM 184 O GLU A 13 1.882 -7.734 1.734 1.00 0.00 O ATOM 185 CB GLU A 13 1.598 -6.181 4.466 1.00 0.00 C ATOM 186 CG GLU A 13 2.259 -5.293 5.522 1.00 0.00 C ATOM 187 CD GLU A 13 1.850 -5.767 6.918 1.00 0.00 C ATOM 188 OE1 GLU A 13 2.444 -6.717 7.397 1.00 0.00 O ATOM 189 OE2 GLU A 13 0.948 -5.170 7.483 1.00 0.00 O ATOM 0 H GLU A 13 1.396 -3.826 3.644 1.00 0.00 H new ATOM 0 HA GLU A 13 3.163 -5.880 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.513 -6.092 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.843 -7.227 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.343 -5.331 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.961 -4.255 5.377 1.00 0.00 H new ATOM 196 N ALA A 14 0.343 -6.196 1.448 1.00 0.00 N ATOM 197 CA ALA A 14 -0.345 -7.009 0.409 1.00 0.00 C ATOM 198 C ALA A 14 0.348 -6.785 -0.942 1.00 0.00 C ATOM 199 O ALA A 14 0.774 -7.722 -1.585 1.00 0.00 O ATOM 200 CB ALA A 14 -1.834 -6.612 0.353 1.00 0.00 C ATOM 0 H ALA A 14 -0.090 -5.295 1.652 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.287 -8.070 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.341 -7.206 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.296 -6.794 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.919 -5.554 0.104 1.00 0.00 H new ATOM 206 N LEU A 15 0.487 -5.563 -1.382 1.00 0.00 N ATOM 207 CA LEU A 15 1.172 -5.352 -2.688 1.00 0.00 C ATOM 208 C LEU A 15 2.519 -6.081 -2.655 1.00 0.00 C ATOM 209 O LEU A 15 2.995 -6.574 -3.657 1.00 0.00 O ATOM 210 CB LEU A 15 1.424 -3.859 -2.942 1.00 0.00 C ATOM 211 CG LEU A 15 0.126 -3.147 -3.386 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.218 -1.643 -3.081 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.079 -3.313 -4.898 1.00 0.00 C ATOM 0 H LEU A 15 0.164 -4.720 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 15 0.537 -5.738 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.808 -3.392 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.189 -3.741 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.707 -3.592 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.701 -1.151 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.358 -1.497 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.063 -1.214 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.997 -2.807 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.767 -2.877 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.153 -4.373 -5.141 1.00 0.00 H new ATOM 225 N TYR A 16 3.140 -6.142 -1.506 1.00 0.00 N ATOM 226 CA TYR A 16 4.459 -6.826 -1.408 1.00 0.00 C ATOM 227 C TYR A 16 4.376 -8.228 -2.026 1.00 0.00 C ATOM 228 O TYR A 16 5.195 -8.589 -2.846 1.00 0.00 O ATOM 229 CB TYR A 16 4.883 -6.910 0.058 1.00 0.00 C ATOM 230 CG TYR A 16 6.183 -7.676 0.164 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.344 -7.174 -0.437 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.227 -8.887 0.862 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.547 -7.884 -0.339 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.429 -9.597 0.961 1.00 0.00 C ATOM 235 CZ TYR A 16 8.590 -9.095 0.360 1.00 0.00 C ATOM 236 OH TYR A 16 9.775 -9.796 0.457 1.00 0.00 O ATOM 0 H TYR A 16 2.789 -5.747 -0.633 1.00 0.00 H new ATOM 0 HA TYR A 16 5.204 -6.253 -1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.004 -5.908 0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.108 -7.405 0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.312 -6.239 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.332 -9.275 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.442 -7.497 -0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.461 -10.532 1.501 1.00 0.00 H new ATOM 0 HH TYR A 16 9.630 -10.614 0.977 1.00 0.00 H new ATOM 246 N LEU A 17 3.401 -9.023 -1.664 1.00 0.00 N ATOM 247 CA LEU A 17 3.308 -10.385 -2.273 1.00 0.00 C ATOM 248 C LEU A 17 2.949 -10.235 -3.747 1.00 0.00 C ATOM 249 O LEU A 17 3.576 -10.804 -4.618 1.00 0.00 O ATOM 250 CB LEU A 17 2.203 -11.211 -1.610 1.00 0.00 C ATOM 251 CG LEU A 17 2.465 -11.394 -0.108 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.213 -10.077 0.646 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.530 -12.490 0.429 1.00 0.00 C ATOM 0 H LEU A 17 2.676 -8.794 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 17 4.266 -10.888 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.241 -10.719 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.138 -12.187 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 17 3.505 -11.683 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.403 -10.224 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.879 -9.305 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.178 -9.768 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.707 -12.629 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.493 -12.194 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.726 -13.425 -0.096 1.00 0.00 H new ATOM 265 N VAL A 18 1.927 -9.475 -4.021 1.00 0.00 N ATOM 266 CA VAL A 18 1.489 -9.276 -5.428 1.00 0.00 C ATOM 267 C VAL A 18 2.686 -8.877 -6.289 1.00 0.00 C ATOM 268 O VAL A 18 3.013 -9.527 -7.262 1.00 0.00 O ATOM 269 CB VAL A 18 0.446 -8.155 -5.470 1.00 0.00 C ATOM 270 CG1 VAL A 18 -0.107 -8.002 -6.877 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.709 -8.477 -4.526 1.00 0.00 C ATOM 0 H VAL A 18 1.372 -8.979 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 18 1.061 -10.202 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 18 0.930 -7.228 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.847 -7.202 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.705 -7.758 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.576 -8.936 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.445 -7.674 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.178 -9.413 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.331 -8.575 -3.508 1.00 0.00 H new ATOM 281 N CYS A 19 3.322 -7.798 -5.947 1.00 0.00 N ATOM 282 CA CYS A 19 4.481 -7.326 -6.749 1.00 0.00 C ATOM 283 C CYS A 19 5.713 -8.173 -6.431 1.00 0.00 C ATOM 284 O CYS A 19 6.631 -8.274 -7.218 1.00 0.00 O ATOM 285 CB CYS A 19 4.756 -5.867 -6.396 1.00 0.00 C ATOM 286 SG CYS A 19 3.187 -4.978 -6.224 1.00 0.00 S ATOM 0 H CYS A 19 3.089 -7.218 -5.141 1.00 0.00 H new ATOM 0 HA CYS A 19 4.257 -7.418 -7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.323 -5.808 -5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.365 -5.403 -7.172 1.00 0.00 H new ATOM 291 N GLY A 20 5.734 -8.782 -5.287 1.00 0.00 N ATOM 292 CA GLY A 20 6.903 -9.627 -4.917 1.00 0.00 C ATOM 293 C GLY A 20 8.204 -8.859 -5.157 1.00 0.00 C ATOM 294 O GLY A 20 8.393 -7.765 -4.663 1.00 0.00 O ATOM 0 H GLY A 20 4.993 -8.734 -4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.833 -9.920 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.899 -10.544 -5.506 1.00 0.00 H new ATOM 298 N GLU A 21 9.109 -9.432 -5.903 1.00 0.00 N ATOM 299 CA GLU A 21 10.408 -8.750 -6.169 1.00 0.00 C ATOM 300 C GLU A 21 10.227 -7.658 -7.223 1.00 0.00 C ATOM 301 O GLU A 21 11.080 -6.811 -7.401 1.00 0.00 O ATOM 302 CB GLU A 21 11.418 -9.775 -6.683 1.00 0.00 C ATOM 303 CG GLU A 21 11.776 -10.742 -5.556 1.00 0.00 C ATOM 304 CD GLU A 21 12.914 -11.658 -6.009 1.00 0.00 C ATOM 305 OE1 GLU A 21 14.060 -11.279 -5.830 1.00 0.00 O ATOM 306 OE2 GLU A 21 12.621 -12.723 -6.526 1.00 0.00 O ATOM 0 H GLU A 21 9.004 -10.347 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 21 10.767 -8.298 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.000 -10.322 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.315 -9.270 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.075 -10.186 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.904 -11.336 -5.282 1.00 0.00 H new ATOM 313 N ARG A 22 9.134 -7.669 -7.928 1.00 0.00 N ATOM 314 CA ARG A 22 8.923 -6.628 -8.971 1.00 0.00 C ATOM 315 C ARG A 22 9.053 -5.243 -8.340 1.00 0.00 C ATOM 316 O ARG A 22 9.408 -4.283 -8.995 1.00 0.00 O ATOM 317 CB ARG A 22 7.525 -6.769 -9.579 1.00 0.00 C ATOM 318 CG ARG A 22 7.327 -8.191 -10.115 1.00 0.00 C ATOM 319 CD ARG A 22 5.906 -8.339 -10.680 1.00 0.00 C ATOM 320 NE ARG A 22 5.873 -7.831 -12.080 1.00 0.00 N ATOM 321 CZ ARG A 22 4.873 -8.138 -12.861 1.00 0.00 C ATOM 322 NH1 ARG A 22 3.906 -8.894 -12.417 1.00 0.00 N ATOM 323 NH2 ARG A 22 4.840 -7.691 -14.087 1.00 0.00 N ATOM 0 H ARG A 22 8.380 -8.349 -7.829 1.00 0.00 H new ATOM 0 HA ARG A 22 9.672 -6.754 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.768 -6.547 -8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.395 -6.047 -10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.061 -8.402 -10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.489 -8.916 -9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.600 -9.385 -10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.198 -7.784 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 22 6.631 -7.244 -12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.932 -9.245 -11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.125 -9.134 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.596 -7.101 -14.435 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.058 -7.931 -14.697 1.00 0.00 H new ATOM 337 N GLY A 23 8.757 -5.127 -7.074 1.00 0.00 N ATOM 338 CA GLY A 23 8.850 -3.797 -6.412 1.00 0.00 C ATOM 339 C GLY A 23 7.651 -2.957 -6.842 1.00 0.00 C ATOM 340 O GLY A 23 7.079 -3.178 -7.891 1.00 0.00 O ATOM 0 H GLY A 23 8.456 -5.894 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.862 -3.913 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.780 -3.300 -6.689 1.00 0.00 H new ATOM 344 N PHE A 24 7.249 -2.004 -6.048 1.00 0.00 N ATOM 345 CA PHE A 24 6.075 -1.178 -6.430 1.00 0.00 C ATOM 346 C PHE A 24 6.120 0.170 -5.718 1.00 0.00 C ATOM 347 O PHE A 24 6.947 0.414 -4.862 1.00 0.00 O ATOM 348 CB PHE A 24 4.798 -1.916 -6.041 1.00 0.00 C ATOM 349 CG PHE A 24 4.687 -1.990 -4.534 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.267 -3.059 -3.842 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.997 -0.994 -3.830 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.156 -3.134 -2.449 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.889 -1.070 -2.436 1.00 0.00 C ATOM 354 CZ PHE A 24 4.466 -2.141 -1.748 1.00 0.00 C ATOM 0 H PHE A 24 7.681 -1.764 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 24 6.094 -1.006 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.930 -1.402 -6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.805 -2.921 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.800 -3.826 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.549 -0.168 -4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.604 -3.959 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.360 -0.301 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.379 -2.201 -0.673 1.00 0.00 H new ATOM 364 N PHE A 25 5.219 1.039 -6.079 1.00 0.00 N ATOM 365 CA PHE A 25 5.153 2.394 -5.455 1.00 0.00 C ATOM 366 C PHE A 25 3.810 2.553 -4.745 1.00 0.00 C ATOM 367 O PHE A 25 2.775 2.199 -5.272 1.00 0.00 O ATOM 368 CB PHE A 25 5.258 3.455 -6.554 1.00 0.00 C ATOM 369 CG PHE A 25 4.199 3.193 -7.603 1.00 0.00 C ATOM 370 CD1 PHE A 25 2.891 3.669 -7.419 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.521 2.466 -8.755 1.00 0.00 C ATOM 372 CE1 PHE A 25 1.910 3.416 -8.389 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.541 2.216 -9.723 1.00 0.00 C ATOM 374 CZ PHE A 25 2.236 2.689 -9.540 1.00 0.00 C ATOM 0 H PHE A 25 4.512 0.866 -6.793 1.00 0.00 H new ATOM 0 HA PHE A 25 5.968 2.511 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.127 4.450 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.249 3.430 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.640 4.230 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.526 2.098 -8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.904 3.782 -8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.792 1.657 -10.612 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.481 2.493 -10.287 1.00 0.00 H new ATOM 384 N TYR A 26 3.809 3.097 -3.561 1.00 0.00 N ATOM 385 CA TYR A 26 2.518 3.290 -2.851 1.00 0.00 C ATOM 386 C TYR A 26 1.823 4.503 -3.465 1.00 0.00 C ATOM 387 O TYR A 26 2.401 5.218 -4.259 1.00 0.00 O ATOM 388 CB TYR A 26 2.760 3.521 -1.351 1.00 0.00 C ATOM 389 CG TYR A 26 1.503 3.179 -0.578 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.076 1.848 -0.501 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.762 4.186 0.058 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.086 1.527 0.211 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.400 3.860 0.769 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.822 2.531 0.846 1.00 0.00 C ATOM 395 OH TYR A 26 -1.966 2.209 1.547 1.00 0.00 O ATOM 0 H TYR A 26 4.639 3.413 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 26 1.895 2.402 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.590 2.905 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.038 4.560 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.642 1.069 -0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.088 5.214 -0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.415 0.500 0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.970 4.637 1.258 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.767 1.496 2.189 1.00 0.00 H new ATOM 405 N THR A 27 0.593 4.740 -3.125 1.00 0.00 N ATOM 406 CA THR A 27 -0.112 5.904 -3.720 1.00 0.00 C ATOM 407 C THR A 27 0.560 7.207 -3.276 1.00 0.00 C ATOM 408 O THR A 27 1.493 7.202 -2.496 1.00 0.00 O ATOM 409 CB THR A 27 -1.574 5.898 -3.290 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.218 7.010 -3.875 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.677 5.977 -1.766 1.00 0.00 C ATOM 0 H THR A 27 0.047 4.184 -2.466 1.00 0.00 H new ATOM 0 HA THR A 27 -0.061 5.834 -4.807 1.00 0.00 H new ATOM 0 HB THR A 27 -2.051 4.975 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.185 6.942 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.726 5.972 -1.472 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.171 5.119 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.207 6.896 -1.417 1.00 0.00 H new ATOM 419 N ASP A 28 0.109 8.319 -3.794 1.00 0.00 N ATOM 420 CA ASP A 28 0.735 9.628 -3.438 1.00 0.00 C ATOM 421 C ASP A 28 0.982 9.699 -1.903 1.00 0.00 C ATOM 422 O ASP A 28 0.221 9.130 -1.146 1.00 0.00 O ATOM 423 CB ASP A 28 -0.208 10.775 -3.885 1.00 0.00 C ATOM 424 CG ASP A 28 0.545 11.783 -4.766 1.00 0.00 C ATOM 425 OD1 ASP A 28 1.293 11.345 -5.625 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.360 12.971 -4.563 1.00 0.00 O ATOM 0 H ASP A 28 -0.669 8.378 -4.451 1.00 0.00 H new ATOM 0 HA ASP A 28 1.694 9.728 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.054 10.364 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.614 11.281 -3.009 1.00 0.00 H new ATOM 431 N PRO A 29 2.028 10.402 -1.481 1.00 0.00 N ATOM 432 CA PRO A 29 2.351 10.548 -0.040 1.00 0.00 C ATOM 433 C PRO A 29 1.415 11.578 0.615 1.00 0.00 C ATOM 434 O PRO A 29 1.466 11.807 1.808 1.00 0.00 O ATOM 435 CB PRO A 29 3.793 11.091 -0.037 1.00 0.00 C ATOM 436 CG PRO A 29 4.019 11.731 -1.428 1.00 0.00 C ATOM 437 CD PRO A 29 2.984 11.099 -2.377 1.00 0.00 C ATOM 0 HA PRO A 29 2.240 9.613 0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.930 11.826 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.510 10.290 0.144 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.893 12.813 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.033 11.543 -1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.483 11.858 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.456 10.403 -3.071 1.00 0.00 H new ATOM 445 N THR A 30 0.603 12.235 -0.163 1.00 0.00 N ATOM 446 CA THR A 30 -0.288 13.291 0.401 1.00 0.00 C ATOM 447 C THR A 30 -1.121 12.745 1.567 1.00 0.00 C ATOM 448 O THR A 30 -1.292 13.405 2.573 1.00 0.00 O ATOM 449 CB THR A 30 -1.210 13.798 -0.708 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.089 12.754 -1.106 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.361 14.239 -1.904 1.00 0.00 C ATOM 0 H THR A 30 0.516 12.087 -1.169 1.00 0.00 H new ATOM 0 HA THR A 30 0.325 14.107 0.784 1.00 0.00 H new ATOM 0 HB THR A 30 -1.795 14.642 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.682 13.078 -1.816 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.013 14.602 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.315 15.037 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.220 13.392 -2.270 1.00 0.00 H new ATOM 459 N GLY A 31 -1.628 11.553 1.457 1.00 0.00 N ATOM 460 CA GLY A 31 -2.432 10.981 2.580 1.00 0.00 C ATOM 461 C GLY A 31 -3.746 11.758 2.752 1.00 0.00 C ATOM 462 O GLY A 31 -4.665 11.293 3.396 1.00 0.00 O ATOM 0 H GLY A 31 -1.524 10.947 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.647 9.931 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.856 11.020 3.504 1.00 0.00 H new ATOM 466 N GLY A 32 -3.848 12.934 2.183 1.00 0.00 N ATOM 467 CA GLY A 32 -5.109 13.734 2.317 1.00 0.00 C ATOM 468 C GLY A 32 -5.972 13.515 1.077 1.00 0.00 C ATOM 469 O GLY A 32 -7.163 13.754 1.078 1.00 0.00 O ATOM 0 H GLY A 32 -3.113 13.376 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.653 13.432 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.873 14.792 2.429 1.00 0.00 H new ATOM 473 N GLY A 33 -5.371 13.042 0.028 1.00 0.00 N ATOM 474 CA GLY A 33 -6.121 12.772 -1.225 1.00 0.00 C ATOM 475 C GLY A 33 -5.183 12.063 -2.206 1.00 0.00 C ATOM 476 O GLY A 33 -4.985 12.530 -3.310 1.00 0.00 O ATOM 0 H GLY A 33 -4.375 12.827 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.993 12.152 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.487 13.704 -1.656 1.00 0.00 H new ATOM 480 N PRO A 34 -4.615 10.956 -1.772 1.00 0.00 N ATOM 481 CA PRO A 34 -3.678 10.183 -2.608 1.00 0.00 C ATOM 482 C PRO A 34 -4.433 9.493 -3.749 1.00 0.00 C ATOM 483 O PRO A 34 -5.625 9.661 -3.916 1.00 0.00 O ATOM 484 CB PRO A 34 -3.096 9.135 -1.640 1.00 0.00 C ATOM 485 CG PRO A 34 -4.068 9.048 -0.444 1.00 0.00 C ATOM 486 CD PRO A 34 -4.852 10.370 -0.427 1.00 0.00 C ATOM 0 HA PRO A 34 -2.910 10.804 -3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.999 8.167 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.099 9.426 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.742 8.198 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.524 8.907 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.914 10.200 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.498 11.032 0.363 1.00 0.00 H new ATOM 494 N ARG A 35 -3.743 8.695 -4.515 1.00 0.00 N ATOM 495 CA ARG A 35 -4.407 7.962 -5.625 1.00 0.00 C ATOM 496 C ARG A 35 -5.553 7.138 -5.037 1.00 0.00 C ATOM 497 O ARG A 35 -5.394 5.978 -4.713 1.00 0.00 O ATOM 498 CB ARG A 35 -3.386 7.024 -6.292 1.00 0.00 C ATOM 499 CG ARG A 35 -3.844 6.653 -7.707 1.00 0.00 C ATOM 500 CD ARG A 35 -2.818 5.702 -8.346 1.00 0.00 C ATOM 501 NE ARG A 35 -2.846 5.855 -9.836 1.00 0.00 N ATOM 502 CZ ARG A 35 -3.965 5.778 -10.506 1.00 0.00 C ATOM 503 NH1 ARG A 35 -5.060 5.380 -9.920 1.00 0.00 N ATOM 504 NH2 ARG A 35 -3.974 6.044 -11.783 1.00 0.00 N ATOM 0 H ARG A 35 -2.743 8.519 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.791 8.660 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.411 7.509 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.267 6.121 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.824 6.177 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.949 7.552 -8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.820 5.921 -7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.044 4.671 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.974 6.023 -10.338 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.047 5.126 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.930 5.322 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.110 6.311 -12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.845 5.985 -12.310 1.00 0.00 H new ATOM 518 N ARG A 36 -6.707 7.722 -4.892 1.00 0.00 N ATOM 519 CA ARG A 36 -7.845 6.957 -4.321 1.00 0.00 C ATOM 520 C ARG A 36 -8.132 5.752 -5.221 1.00 0.00 C ATOM 521 O ARG A 36 -9.025 4.971 -4.966 1.00 0.00 O ATOM 522 CB ARG A 36 -9.081 7.862 -4.233 1.00 0.00 C ATOM 523 CG ARG A 36 -9.085 8.834 -5.414 1.00 0.00 C ATOM 524 CD ARG A 36 -10.482 9.439 -5.575 1.00 0.00 C ATOM 525 NE ARG A 36 -10.496 10.364 -6.742 1.00 0.00 N ATOM 526 CZ ARG A 36 -11.634 10.759 -7.244 1.00 0.00 C ATOM 527 NH1 ARG A 36 -12.756 10.340 -6.724 1.00 0.00 N ATOM 528 NH2 ARG A 36 -11.651 11.572 -8.265 1.00 0.00 N ATOM 0 H ARG A 36 -6.910 8.690 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.596 6.609 -3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.989 7.258 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.075 8.414 -3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.352 9.624 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.795 8.314 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.218 8.647 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.763 9.976 -4.669 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.618 10.688 -7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.742 9.705 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.646 10.648 -7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.774 11.899 -8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.541 11.880 -8.657 1.00 0.00 H new ATOM 542 N GLY A 37 -7.378 5.599 -6.274 1.00 0.00 N ATOM 543 CA GLY A 37 -7.603 4.451 -7.189 1.00 0.00 C ATOM 544 C GLY A 37 -7.074 3.164 -6.554 1.00 0.00 C ATOM 545 O GLY A 37 -7.510 2.086 -6.895 1.00 0.00 O ATOM 0 H GLY A 37 -6.615 6.222 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.667 4.350 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.101 4.630 -8.140 1.00 0.00 H new ATOM 549 N ILE A 38 -6.126 3.256 -5.643 1.00 0.00 N ATOM 550 CA ILE A 38 -5.573 2.014 -4.998 1.00 0.00 C ATOM 551 C ILE A 38 -6.178 1.827 -3.592 1.00 0.00 C ATOM 552 O ILE A 38 -6.720 0.786 -3.276 1.00 0.00 O ATOM 553 CB ILE A 38 -4.009 2.104 -4.948 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.347 0.747 -5.319 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.481 2.554 -3.572 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.102 -0.457 -4.725 1.00 0.00 C ATOM 0 H ILE A 38 -5.714 4.131 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.846 1.140 -5.589 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.737 2.860 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.309 0.649 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.317 0.739 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.392 2.598 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.879 3.541 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.798 1.842 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.599 -1.380 -5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.117 -0.377 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.124 -0.468 -5.103 1.00 0.00 H new ATOM 568 N VAL A 39 -6.042 2.803 -2.734 1.00 0.00 N ATOM 569 CA VAL A 39 -6.556 2.646 -1.341 1.00 0.00 C ATOM 570 C VAL A 39 -8.073 2.448 -1.326 1.00 0.00 C ATOM 571 O VAL A 39 -8.558 1.420 -0.912 1.00 0.00 O ATOM 572 CB VAL A 39 -6.199 3.889 -0.515 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.333 3.563 0.975 1.00 0.00 C ATOM 574 CG2 VAL A 39 -4.757 4.324 -0.823 1.00 0.00 C ATOM 0 H VAL A 39 -5.599 3.699 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.089 1.761 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.878 4.702 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.080 4.444 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.359 3.264 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.656 2.748 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.510 5.207 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.071 3.515 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.666 4.559 -1.884 1.00 0.00 H new ATOM 584 N GLU A 40 -8.825 3.423 -1.748 1.00 0.00 N ATOM 585 CA GLU A 40 -10.310 3.276 -1.721 1.00 0.00 C ATOM 586 C GLU A 40 -10.738 2.024 -2.492 1.00 0.00 C ATOM 587 O GLU A 40 -11.570 1.263 -2.039 1.00 0.00 O ATOM 588 CB GLU A 40 -10.958 4.507 -2.353 1.00 0.00 C ATOM 589 CG GLU A 40 -10.416 5.772 -1.682 1.00 0.00 C ATOM 590 CD GLU A 40 -11.311 6.963 -2.030 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.226 6.781 -2.816 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.066 8.037 -1.506 1.00 0.00 O ATOM 0 H GLU A 40 -8.481 4.313 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.633 3.180 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.749 4.532 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.041 4.459 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.380 5.635 -0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.395 5.962 -2.013 1.00 0.00 H new ATOM 599 N GLN A 41 -10.191 1.808 -3.654 1.00 0.00 N ATOM 600 CA GLN A 41 -10.587 0.610 -4.447 1.00 0.00 C ATOM 601 C GLN A 41 -10.527 -0.644 -3.575 1.00 0.00 C ATOM 602 O GLN A 41 -11.491 -1.371 -3.449 1.00 0.00 O ATOM 603 CB GLN A 41 -9.638 0.441 -5.638 1.00 0.00 C ATOM 604 CG GLN A 41 -10.195 -0.622 -6.586 1.00 0.00 C ATOM 605 CD GLN A 41 -9.331 -0.696 -7.837 1.00 0.00 C ATOM 606 OE1 GLN A 41 -9.913 -0.713 -9.000 1.00 0.00 O flip ATOM 607 NE2 GLN A 41 -8.119 -0.740 -7.758 1.00 0.00 N flip ATOM 0 H GLN A 41 -9.489 2.406 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.607 0.750 -4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.524 1.389 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.647 0.149 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.216 -1.592 -6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.223 -0.380 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.667 -0.726 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.554 -0.790 -8.606 1.00 0.00 H new ATOM 616 N CYS A 42 -9.394 -0.918 -2.991 1.00 0.00 N ATOM 617 CA CYS A 42 -9.262 -2.143 -2.151 1.00 0.00 C ATOM 618 C CYS A 42 -9.743 -1.890 -0.714 1.00 0.00 C ATOM 619 O CYS A 42 -10.158 -2.804 -0.030 1.00 0.00 O ATOM 620 CB CYS A 42 -7.799 -2.576 -2.139 1.00 0.00 C ATOM 621 SG CYS A 42 -7.247 -2.857 -3.837 1.00 0.00 S ATOM 0 H CYS A 42 -8.552 -0.346 -3.059 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.886 -2.929 -2.576 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.185 -1.810 -1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.682 -3.486 -1.551 1.00 0.00 H new ATOM 626 N CYS A 43 -9.696 -0.671 -0.243 1.00 0.00 N ATOM 627 CA CYS A 43 -10.158 -0.400 1.154 1.00 0.00 C ATOM 628 C CYS A 43 -11.678 -0.239 1.161 1.00 0.00 C ATOM 629 O CYS A 43 -12.375 -0.871 1.930 1.00 0.00 O ATOM 630 CB CYS A 43 -9.503 0.877 1.697 1.00 0.00 C ATOM 631 SG CYS A 43 -10.111 1.189 3.375 1.00 0.00 S ATOM 0 H CYS A 43 -9.361 0.143 -0.759 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.872 -1.237 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.418 0.769 1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.735 1.723 1.050 1.00 0.00 H new ATOM 636 N HIS A 44 -12.198 0.599 0.309 1.00 0.00 N ATOM 637 CA HIS A 44 -13.673 0.795 0.268 1.00 0.00 C ATOM 638 C HIS A 44 -14.332 -0.441 -0.344 1.00 0.00 C ATOM 639 O HIS A 44 -15.482 -0.735 -0.081 1.00 0.00 O ATOM 640 CB HIS A 44 -14.003 2.023 -0.579 1.00 0.00 C ATOM 641 CG HIS A 44 -15.445 2.390 -0.382 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.470 1.456 -0.471 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.048 3.585 -0.096 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.627 2.103 -0.241 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.422 3.400 -0.008 1.00 0.00 N ATOM 0 H HIS A 44 -11.666 1.156 -0.360 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.048 0.944 1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.362 2.857 -0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.809 1.816 -1.631 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.365 0.462 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.535 4.526 0.040 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.599 1.632 -0.245 1.00 0.00 H new ATOM 653 N SER A 45 -13.611 -1.170 -1.162 1.00 0.00 N ATOM 654 CA SER A 45 -14.191 -2.397 -1.799 1.00 0.00 C ATOM 655 C SER A 45 -13.166 -3.533 -1.754 1.00 0.00 C ATOM 656 O SER A 45 -11.978 -3.307 -1.644 1.00 0.00 O ATOM 657 CB SER A 45 -14.557 -2.093 -3.255 1.00 0.00 C ATOM 658 OG SER A 45 -15.124 -0.792 -3.334 1.00 0.00 O ATOM 0 H SER A 45 -12.644 -0.969 -1.417 1.00 0.00 H new ATOM 0 HA SER A 45 -15.087 -2.698 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.670 -2.155 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.265 -2.834 -3.627 1.00 0.00 H new ATOM 0 HG SER A 45 -15.358 -0.593 -4.265 1.00 0.00 H new ATOM 664 N ILE A 46 -13.620 -4.753 -1.843 1.00 0.00 N ATOM 665 CA ILE A 46 -12.684 -5.908 -1.812 1.00 0.00 C ATOM 666 C ILE A 46 -12.097 -6.109 -3.214 1.00 0.00 C ATOM 667 O ILE A 46 -12.721 -6.695 -4.076 1.00 0.00 O ATOM 668 CB ILE A 46 -13.454 -7.173 -1.393 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.467 -6.853 -0.277 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.479 -8.234 -0.893 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.747 -6.389 0.995 1.00 0.00 C ATOM 0 H ILE A 46 -14.605 -4.999 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.881 -5.719 -1.099 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.993 -7.546 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.154 -6.077 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.066 -7.737 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.032 -9.126 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.778 -8.488 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.930 -7.848 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.482 -6.169 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.079 -7.177 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.168 -5.491 0.778 1.00 0.00 H new ATOM 683 N CYS A 47 -10.904 -5.629 -3.452 1.00 0.00 N ATOM 684 CA CYS A 47 -10.286 -5.795 -4.803 1.00 0.00 C ATOM 685 C CYS A 47 -9.462 -7.084 -4.834 1.00 0.00 C ATOM 686 O CYS A 47 -8.929 -7.517 -3.831 1.00 0.00 O ATOM 687 CB CYS A 47 -9.379 -4.594 -5.105 1.00 0.00 C ATOM 688 SG CYS A 47 -7.808 -4.759 -4.216 1.00 0.00 S ATOM 0 H CYS A 47 -10.331 -5.130 -2.771 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.072 -5.851 -5.557 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.194 -4.529 -6.177 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.877 -3.670 -4.811 1.00 0.00 H new ATOM 693 N SER A 48 -9.346 -7.696 -5.980 1.00 0.00 N ATOM 694 CA SER A 48 -8.550 -8.952 -6.081 1.00 0.00 C ATOM 695 C SER A 48 -7.072 -8.598 -6.262 1.00 0.00 C ATOM 696 O SER A 48 -6.723 -7.471 -6.550 1.00 0.00 O ATOM 697 CB SER A 48 -9.036 -9.769 -7.283 1.00 0.00 C ATOM 698 OG SER A 48 -9.379 -8.886 -8.343 1.00 0.00 O ATOM 0 H SER A 48 -9.769 -7.380 -6.853 1.00 0.00 H new ATOM 0 HA SER A 48 -8.675 -9.541 -5.172 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.257 -10.459 -7.607 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.900 -10.372 -7.002 1.00 0.00 H new ATOM 0 HG SER A 48 -9.689 -9.405 -9.114 1.00 0.00 H new ATOM 704 N LEU A 49 -6.206 -9.558 -6.105 1.00 0.00 N ATOM 705 CA LEU A 49 -4.754 -9.286 -6.278 1.00 0.00 C ATOM 706 C LEU A 49 -4.536 -8.729 -7.677 1.00 0.00 C ATOM 707 O LEU A 49 -3.683 -7.896 -7.911 1.00 0.00 O ATOM 708 CB LEU A 49 -3.961 -10.589 -6.123 1.00 0.00 C ATOM 709 CG LEU A 49 -4.359 -11.313 -4.825 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.319 -12.388 -4.495 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.405 -10.329 -3.658 1.00 0.00 C ATOM 0 H LEU A 49 -6.442 -10.521 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.416 -8.572 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.146 -11.238 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.893 -10.372 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.342 -11.760 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.603 -12.899 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.270 -13.109 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.343 -11.922 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.688 -10.857 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.422 -9.877 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.138 -9.550 -3.868 1.00 0.00 H new ATOM 723 N TYR A 50 -5.321 -9.188 -8.603 1.00 0.00 N ATOM 724 CA TYR A 50 -5.222 -8.722 -9.998 1.00 0.00 C ATOM 725 C TYR A 50 -5.078 -7.207 -10.034 1.00 0.00 C ATOM 726 O TYR A 50 -4.130 -6.666 -10.569 1.00 0.00 O ATOM 727 CB TYR A 50 -6.518 -9.130 -10.699 1.00 0.00 C ATOM 728 CG TYR A 50 -6.274 -9.260 -12.163 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.734 -10.439 -12.646 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.586 -8.211 -13.021 1.00 0.00 C ATOM 731 CE1 TYR A 50 -5.497 -10.588 -14.014 1.00 0.00 C ATOM 732 CE2 TYR A 50 -6.354 -8.347 -14.393 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.809 -9.539 -14.893 1.00 0.00 C ATOM 734 OH TYR A 50 -5.579 -9.680 -16.246 1.00 0.00 O ATOM 0 H TYR A 50 -6.046 -9.887 -8.441 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.353 -9.159 -10.490 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.880 -10.075 -10.295 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.293 -8.387 -10.514 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.496 -11.243 -11.966 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.005 -7.296 -12.630 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.075 -11.507 -14.394 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.594 -7.537 -15.066 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.852 -8.862 -16.711 1.00 0.00 H new ATOM 744 N GLN A 51 -6.023 -6.527 -9.469 1.00 0.00 N ATOM 745 CA GLN A 51 -5.964 -5.041 -9.464 1.00 0.00 C ATOM 746 C GLN A 51 -4.703 -4.600 -8.744 1.00 0.00 C ATOM 747 O GLN A 51 -4.009 -3.701 -9.177 1.00 0.00 O ATOM 748 CB GLN A 51 -7.189 -4.476 -8.750 1.00 0.00 C ATOM 749 CG GLN A 51 -8.445 -5.197 -9.256 1.00 0.00 C ATOM 750 CD GLN A 51 -9.687 -4.391 -8.883 1.00 0.00 C ATOM 751 OE1 GLN A 51 -9.870 -3.224 -9.430 1.00 0.00 O flip ATOM 752 NE2 GLN A 51 -10.499 -4.828 -8.093 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.838 -6.932 -9.008 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.952 -4.671 -10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -7.089 -4.607 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.271 -3.405 -8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.393 -5.323 -10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.503 -6.195 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.354 -5.743 -7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.327 -4.280 -7.857 1.00 0.00 H new ATOM 761 N LEU A 52 -4.383 -5.236 -7.657 1.00 0.00 N ATOM 762 CA LEU A 52 -3.152 -4.854 -6.936 1.00 0.00 C ATOM 763 C LEU A 52 -1.976 -5.099 -7.865 1.00 0.00 C ATOM 764 O LEU A 52 -0.981 -4.403 -7.838 1.00 0.00 O ATOM 765 CB LEU A 52 -3.010 -5.698 -5.675 1.00 0.00 C ATOM 766 CG LEU A 52 -4.160 -5.384 -4.708 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.968 -6.206 -3.447 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.163 -3.891 -4.337 1.00 0.00 C ATOM 0 H LEU A 52 -4.919 -5.998 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.189 -3.805 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.018 -6.757 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.053 -5.494 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.108 -5.627 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.777 -5.995 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.974 -7.266 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.014 -5.948 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.985 -3.688 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.219 -3.633 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.287 -3.292 -5.239 1.00 0.00 H new ATOM 780 N GLU A 53 -2.099 -6.088 -8.701 1.00 0.00 N ATOM 781 CA GLU A 53 -1.015 -6.401 -9.661 1.00 0.00 C ATOM 782 C GLU A 53 -0.970 -5.277 -10.701 1.00 0.00 C ATOM 783 O GLU A 53 -0.066 -5.188 -11.509 1.00 0.00 O ATOM 784 CB GLU A 53 -1.318 -7.773 -10.321 1.00 0.00 C ATOM 785 CG GLU A 53 -0.088 -8.705 -10.266 1.00 0.00 C ATOM 786 CD GLU A 53 -0.158 -9.731 -11.403 1.00 0.00 C ATOM 787 OE1 GLU A 53 -0.343 -9.319 -12.536 1.00 0.00 O ATOM 788 OE2 GLU A 53 -0.027 -10.911 -11.120 1.00 0.00 O ATOM 0 H GLU A 53 -2.914 -6.698 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.045 -6.467 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.158 -8.246 -9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.617 -7.622 -11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.827 -8.119 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.052 -9.217 -9.304 1.00 0.00 H new ATOM 795 N ASN A 54 -1.953 -4.421 -10.674 1.00 0.00 N ATOM 796 CA ASN A 54 -2.006 -3.292 -11.641 1.00 0.00 C ATOM 797 C ASN A 54 -0.999 -2.216 -11.228 1.00 0.00 C ATOM 798 O ASN A 54 -0.493 -1.477 -12.050 1.00 0.00 O ATOM 799 CB ASN A 54 -3.428 -2.706 -11.639 1.00 0.00 C ATOM 800 CG ASN A 54 -3.696 -1.968 -12.952 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.787 -1.453 -13.572 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.919 -1.895 -13.401 1.00 0.00 N ATOM 0 H ASN A 54 -2.731 -4.457 -10.015 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.755 -3.645 -12.641 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.158 -3.504 -11.506 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.547 -2.023 -10.798 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.113 -1.405 -14.274 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.681 -2.328 -12.879 1.00 0.00 H new ATOM 809 N TYR A 55 -0.712 -2.116 -9.955 1.00 0.00 N ATOM 810 CA TYR A 55 0.253 -1.082 -9.471 1.00 0.00 C ATOM 811 C TYR A 55 1.621 -1.718 -9.211 1.00 0.00 C ATOM 812 O TYR A 55 2.529 -1.069 -8.732 1.00 0.00 O ATOM 813 CB TYR A 55 -0.286 -0.479 -8.175 1.00 0.00 C ATOM 814 CG TYR A 55 -1.750 -0.177 -8.352 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.690 -1.178 -8.130 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.159 1.096 -8.747 1.00 0.00 C ATOM 817 CE1 TYR A 55 -4.058 -0.911 -8.301 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.521 1.369 -8.923 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.472 0.365 -8.698 1.00 0.00 C ATOM 820 OH TYR A 55 -5.815 0.633 -8.870 1.00 0.00 O ATOM 0 H TYR A 55 -1.107 -2.710 -9.226 1.00 0.00 H new ATOM 0 HA TYR A 55 0.367 -0.306 -10.228 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.141 -1.173 -7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.260 0.431 -7.927 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.367 -2.163 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.426 1.871 -8.917 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.788 -1.688 -8.127 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.839 2.354 -9.232 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.158 1.105 -8.082 1.00 0.00 H new ATOM 830 N CYS A 56 1.788 -2.976 -9.527 1.00 0.00 N ATOM 831 CA CYS A 56 3.112 -3.621 -9.295 1.00 0.00 C ATOM 832 C CYS A 56 4.060 -3.241 -10.434 1.00 0.00 C ATOM 833 O CYS A 56 3.901 -3.678 -11.557 1.00 0.00 O ATOM 834 CB CYS A 56 2.956 -5.142 -9.255 1.00 0.00 C ATOM 835 SG CYS A 56 2.053 -5.629 -7.763 1.00 0.00 S ATOM 0 H CYS A 56 1.072 -3.579 -9.932 1.00 0.00 H new ATOM 0 HA CYS A 56 3.516 -3.279 -8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.423 -5.485 -10.142 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.937 -5.618 -9.269 1.00 0.00 H new ATOM 840 N ASN A 57 5.042 -2.429 -10.157 1.00 0.00 N ATOM 841 CA ASN A 57 5.995 -2.020 -11.226 1.00 0.00 C ATOM 842 C ASN A 57 5.211 -1.499 -12.434 1.00 0.00 C ATOM 843 O ASN A 57 5.839 -1.161 -13.424 1.00 0.00 O ATOM 844 CB ASN A 57 6.842 -3.225 -11.646 1.00 0.00 C ATOM 845 CG ASN A 57 7.762 -2.826 -12.799 1.00 0.00 C ATOM 846 OD1 ASN A 57 7.578 -3.259 -13.919 1.00 0.00 O ATOM 847 ND2 ASN A 57 8.751 -2.012 -12.568 1.00 0.00 N ATOM 848 OXT ASN A 57 3.996 -1.445 -12.346 1.00 0.00 O ATOM 0 H ASN A 57 5.226 -2.031 -9.236 1.00 0.00 H new ATOM 0 HA ASN A 57 6.648 -1.233 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.433 -3.579 -10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.196 -4.048 -11.951 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.373 -1.737 -13.328 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.904 -1.649 -11.627 1.00 0.00 H new TER 855 ASN A 57