USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 625 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 THR OG1 : rot 170:sc= -0.175 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0887 (180deg=0) USER MOD Single : A 2 SER OG : rot 10:sc= 1.12 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.111 USER MOD Single : A 6 SER OG : rot 4:sc= 0.351 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0.406 K(o=0.41,f=-2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00318 X(o=-0.0032,f=-0.0032) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00635 K(o=-0.0063,f=-2.8!) USER MOD Single : A 31 MET CE :methyl -147:sc= -0.949 (180deg=-2.96!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.002 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.23! C(o=-3.2!,f=-5.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.42) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.57! C(o=-3.6!,f=-3.3!) USER MOD Single : A 71 MET CE :methyl -137:sc= -0.297 (180deg=-3.57!) USER MOD Single : A 72 ASN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 74 THR OG1 : rot 42:sc= 0.528 USER MOD Single : A 75 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0184 (180deg=-0.192) USER MOD Single : A 79 SER OG : rot 38:sc= 0.368 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.432 -25.182 9.269 1.00 0.00 N ATOM 2 CA GLY A 1 -32.597 -26.186 8.636 1.00 0.00 C ATOM 3 C GLY A 1 -32.475 -25.979 7.139 1.00 0.00 C ATOM 4 O GLY A 1 -33.124 -25.100 6.572 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.875 -24.665 9.979 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.780 -24.516 8.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.240 -25.644 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.604 -26.164 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.013 -27.175 8.830 1.00 0.00 H new ATOM 8 N SER A 2 -31.640 -26.790 6.497 1.00 0.00 N ATOM 9 CA SER A 2 -31.430 -26.688 5.058 1.00 0.00 C ATOM 10 C SER A 2 -30.814 -27.970 4.506 1.00 0.00 C ATOM 11 O SER A 2 -30.344 -28.821 5.262 1.00 0.00 O ATOM 12 CB SER A 2 -30.528 -25.495 4.736 1.00 0.00 C ATOM 13 OG SER A 2 -31.219 -24.271 4.911 1.00 0.00 O ATOM 0 H SER A 2 -31.098 -27.525 6.951 1.00 0.00 H new ATOM 0 HA SER A 2 -32.400 -26.539 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.649 -25.515 5.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.172 -25.571 3.709 1.00 0.00 H new ATOM 0 HG SER A 2 -32.077 -24.440 5.354 1.00 0.00 H new ATOM 19 N SER A 3 -30.821 -28.101 3.184 1.00 0.00 N ATOM 20 CA SER A 3 -30.266 -29.280 2.529 1.00 0.00 C ATOM 21 C SER A 3 -29.444 -28.887 1.306 1.00 0.00 C ATOM 22 O SER A 3 -29.527 -27.757 0.826 1.00 0.00 O ATOM 23 CB SER A 3 -31.388 -30.236 2.119 1.00 0.00 C ATOM 24 OG SER A 3 -32.139 -30.655 3.245 1.00 0.00 O ATOM 0 H SER A 3 -31.205 -27.405 2.545 1.00 0.00 H new ATOM 0 HA SER A 3 -29.609 -29.784 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.045 -29.744 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.964 -31.106 1.617 1.00 0.00 H new ATOM 0 HG SER A 3 -32.850 -31.264 2.956 1.00 0.00 H new ATOM 30 N GLY A 4 -28.650 -29.829 0.806 1.00 0.00 N ATOM 31 CA GLY A 4 -27.824 -29.563 -0.357 1.00 0.00 C ATOM 32 C GLY A 4 -28.013 -30.595 -1.451 1.00 0.00 C ATOM 33 O GLY A 4 -28.433 -31.721 -1.186 1.00 0.00 O ATOM 0 H GLY A 4 -28.564 -30.772 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.062 -28.574 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.776 -29.543 -0.058 1.00 0.00 H new ATOM 37 N SER A 5 -27.704 -30.210 -2.685 1.00 0.00 N ATOM 38 CA SER A 5 -27.847 -31.109 -3.825 1.00 0.00 C ATOM 39 C SER A 5 -26.867 -30.740 -4.934 1.00 0.00 C ATOM 40 O SER A 5 -26.280 -29.657 -4.925 1.00 0.00 O ATOM 41 CB SER A 5 -29.280 -31.064 -4.359 1.00 0.00 C ATOM 42 OG SER A 5 -30.216 -31.330 -3.330 1.00 0.00 O ATOM 0 H SER A 5 -27.353 -29.282 -2.921 1.00 0.00 H new ATOM 0 HA SER A 5 -27.623 -32.121 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.479 -30.084 -4.792 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.397 -31.795 -5.159 1.00 0.00 H new ATOM 0 HG SER A 5 -31.124 -31.294 -3.697 1.00 0.00 H new ATOM 48 N SER A 6 -26.694 -31.649 -5.888 1.00 0.00 N ATOM 49 CA SER A 6 -25.782 -31.422 -7.004 1.00 0.00 C ATOM 50 C SER A 6 -26.223 -32.208 -8.235 1.00 0.00 C ATOM 51 O SER A 6 -26.709 -33.333 -8.126 1.00 0.00 O ATOM 52 CB SER A 6 -24.357 -31.821 -6.614 1.00 0.00 C ATOM 53 OG SER A 6 -23.831 -30.941 -5.635 1.00 0.00 O ATOM 0 H SER A 6 -27.173 -32.549 -5.911 1.00 0.00 H new ATOM 0 HA SER A 6 -25.801 -30.360 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.354 -32.841 -6.230 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.718 -31.811 -7.497 1.00 0.00 H new ATOM 0 HG SER A 6 -24.521 -30.299 -5.368 1.00 0.00 H new ATOM 59 N GLY A 7 -26.051 -31.605 -9.407 1.00 0.00 N ATOM 60 CA GLY A 7 -26.436 -32.261 -10.643 1.00 0.00 C ATOM 61 C GLY A 7 -25.318 -32.274 -11.666 1.00 0.00 C ATOM 62 O GLY A 7 -24.162 -32.533 -11.331 1.00 0.00 O ATOM 0 H GLY A 7 -25.652 -30.674 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.739 -33.286 -10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.304 -31.754 -11.065 1.00 0.00 H new ATOM 66 N VAL A 8 -25.661 -31.993 -12.919 1.00 0.00 N ATOM 67 CA VAL A 8 -24.678 -31.974 -13.995 1.00 0.00 C ATOM 68 C VAL A 8 -24.591 -30.593 -14.635 1.00 0.00 C ATOM 69 O VAL A 8 -25.600 -29.907 -14.793 1.00 0.00 O ATOM 70 CB VAL A 8 -25.015 -33.011 -15.083 1.00 0.00 C ATOM 71 CG1 VAL A 8 -24.948 -34.421 -14.515 1.00 0.00 C ATOM 72 CG2 VAL A 8 -26.387 -32.732 -15.678 1.00 0.00 C ATOM 0 H VAL A 8 -26.613 -31.775 -13.214 1.00 0.00 H new ATOM 0 HA VAL A 8 -23.716 -32.227 -13.549 1.00 0.00 H new ATOM 0 HB VAL A 8 -24.276 -32.930 -15.880 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -25.189 -35.140 -15.298 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -23.943 -34.615 -14.141 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -25.664 -34.519 -13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -26.609 -33.474 -16.445 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -27.142 -32.785 -14.893 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -26.395 -31.737 -16.123 1.00 0.00 H new ATOM 82 N GLU A 9 -23.378 -30.191 -15.002 1.00 0.00 N ATOM 83 CA GLU A 9 -23.160 -28.891 -15.625 1.00 0.00 C ATOM 84 C GLU A 9 -22.241 -29.016 -16.837 1.00 0.00 C ATOM 85 O GLU A 9 -21.441 -29.945 -16.948 1.00 0.00 O ATOM 86 CB GLU A 9 -22.559 -27.911 -14.614 1.00 0.00 C ATOM 87 CG GLU A 9 -21.471 -28.521 -13.747 1.00 0.00 C ATOM 88 CD GLU A 9 -21.381 -27.870 -12.381 1.00 0.00 C ATOM 89 OE1 GLU A 9 -22.366 -27.951 -11.618 1.00 0.00 O ATOM 90 OE2 GLU A 9 -20.324 -27.280 -12.074 1.00 0.00 O ATOM 0 H GLU A 9 -22.532 -30.747 -14.879 1.00 0.00 H new ATOM 0 HA GLU A 9 -24.125 -28.510 -15.960 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -22.148 -27.056 -15.150 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.354 -27.532 -13.972 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -21.663 -29.587 -13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.511 -28.426 -14.255 1.00 0.00 H new ATOM 97 N PRO A 10 -22.358 -28.057 -17.768 1.00 0.00 N ATOM 98 CA PRO A 10 -21.546 -28.037 -18.989 1.00 0.00 C ATOM 99 C PRO A 10 -20.082 -27.720 -18.706 1.00 0.00 C ATOM 100 O PRO A 10 -19.654 -27.692 -17.552 1.00 0.00 O ATOM 101 CB PRO A 10 -22.184 -26.920 -19.819 1.00 0.00 C ATOM 102 CG PRO A 10 -22.831 -26.026 -18.819 1.00 0.00 C ATOM 103 CD PRO A 10 -23.290 -26.920 -17.700 1.00 0.00 C ATOM 0 HA PRO A 10 -21.535 -29.006 -19.488 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.436 -26.384 -20.403 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -22.913 -27.318 -20.524 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -22.130 -25.275 -18.456 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -23.671 -25.490 -19.260 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -23.238 -26.415 -16.735 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.323 -27.238 -17.838 1.00 0.00 H new ATOM 111 N VAL A 11 -19.317 -27.483 -19.767 1.00 0.00 N ATOM 112 CA VAL A 11 -17.900 -27.167 -19.633 1.00 0.00 C ATOM 113 C VAL A 11 -17.642 -26.316 -18.394 1.00 0.00 C ATOM 114 O VAL A 11 -18.312 -25.312 -18.150 1.00 0.00 O ATOM 115 CB VAL A 11 -17.371 -26.423 -20.873 1.00 0.00 C ATOM 116 CG1 VAL A 11 -15.867 -26.219 -20.772 1.00 0.00 C ATOM 117 CG2 VAL A 11 -17.730 -27.181 -22.142 1.00 0.00 C ATOM 0 H VAL A 11 -19.655 -27.504 -20.729 1.00 0.00 H new ATOM 0 HA VAL A 11 -17.372 -28.115 -19.535 1.00 0.00 H new ATOM 0 HB VAL A 11 -17.845 -25.442 -20.916 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.511 -25.692 -21.657 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.638 -25.631 -19.883 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.372 -27.188 -20.703 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.348 -26.641 -23.009 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.286 -28.176 -22.110 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.814 -27.270 -22.218 1.00 0.00 H new ATOM 127 N PRO A 12 -16.646 -26.723 -17.593 1.00 0.00 N ATOM 128 CA PRO A 12 -16.275 -26.012 -16.367 1.00 0.00 C ATOM 129 C PRO A 12 -15.624 -24.663 -16.654 1.00 0.00 C ATOM 130 O PRO A 12 -15.581 -24.215 -17.799 1.00 0.00 O ATOM 131 CB PRO A 12 -15.275 -26.957 -15.696 1.00 0.00 C ATOM 132 CG PRO A 12 -14.701 -27.756 -16.815 1.00 0.00 C ATOM 133 CD PRO A 12 -15.806 -27.911 -17.823 1.00 0.00 C ATOM 0 HA PRO A 12 -17.144 -25.783 -15.750 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.500 -26.403 -15.167 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.766 -27.597 -14.963 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.841 -27.251 -17.254 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.355 -28.728 -16.463 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -15.420 -27.939 -18.842 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.364 -28.834 -17.668 1.00 0.00 H new ATOM 141 N ASP A 13 -15.117 -24.022 -15.607 1.00 0.00 N ATOM 142 CA ASP A 13 -14.466 -22.724 -15.747 1.00 0.00 C ATOM 143 C ASP A 13 -13.004 -22.800 -15.315 1.00 0.00 C ATOM 144 O ASP A 13 -12.675 -23.427 -14.307 1.00 0.00 O ATOM 145 CB ASP A 13 -15.201 -21.669 -14.919 1.00 0.00 C ATOM 146 CG ASP A 13 -14.276 -20.573 -14.426 1.00 0.00 C ATOM 147 OD1 ASP A 13 -13.507 -20.031 -15.247 1.00 0.00 O ATOM 148 OD2 ASP A 13 -14.323 -20.256 -13.219 1.00 0.00 O ATOM 0 H ASP A 13 -15.144 -24.380 -14.652 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.501 -22.439 -16.798 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.995 -21.227 -15.521 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.678 -22.149 -14.065 1.00 0.00 H new ATOM 153 N THR A 14 -12.131 -22.159 -16.085 1.00 0.00 N ATOM 154 CA THR A 14 -10.705 -22.156 -15.784 1.00 0.00 C ATOM 155 C THR A 14 -10.422 -21.436 -14.470 1.00 0.00 C ATOM 156 O THR A 14 -11.256 -20.680 -13.973 1.00 0.00 O ATOM 157 CB THR A 14 -9.895 -21.485 -16.909 1.00 0.00 C ATOM 158 OG1 THR A 14 -10.411 -20.175 -17.170 1.00 0.00 O ATOM 159 CG2 THR A 14 -9.943 -22.317 -18.181 1.00 0.00 C ATOM 0 H THR A 14 -12.387 -21.635 -16.922 1.00 0.00 H new ATOM 0 HA THR A 14 -10.398 -23.198 -15.697 1.00 0.00 H new ATOM 0 HB THR A 14 -8.858 -21.408 -16.583 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.889 -19.755 -17.885 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.364 -21.823 -18.961 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.522 -23.304 -17.987 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.977 -22.422 -18.508 1.00 0.00 H new ATOM 167 N HIS A 15 -9.239 -21.676 -13.913 1.00 0.00 N ATOM 168 CA HIS A 15 -8.846 -21.048 -12.656 1.00 0.00 C ATOM 169 C HIS A 15 -8.770 -19.532 -12.806 1.00 0.00 C ATOM 170 O HIS A 15 -8.827 -19.004 -13.918 1.00 0.00 O ATOM 171 CB HIS A 15 -7.496 -21.594 -12.190 1.00 0.00 C ATOM 172 CG HIS A 15 -6.443 -21.578 -13.255 1.00 0.00 C ATOM 173 ND1 HIS A 15 -6.378 -22.515 -14.264 1.00 0.00 N ATOM 174 CD2 HIS A 15 -5.410 -20.728 -13.465 1.00 0.00 C ATOM 175 CE1 HIS A 15 -5.350 -22.245 -15.048 1.00 0.00 C ATOM 176 NE2 HIS A 15 -4.746 -21.165 -14.586 1.00 0.00 N ATOM 0 H HIS A 15 -8.537 -22.300 -14.311 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.603 -21.284 -11.908 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.150 -21.007 -11.340 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.629 -22.617 -11.838 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.156 -19.868 -12.864 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.054 -22.811 -15.919 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.921 -20.727 -14.995 1.00 0.00 H new ATOM 184 N LEU A 16 -8.642 -18.837 -11.682 1.00 0.00 N ATOM 185 CA LEU A 16 -8.559 -17.380 -11.688 1.00 0.00 C ATOM 186 C LEU A 16 -7.438 -16.895 -10.775 1.00 0.00 C ATOM 187 O LEU A 16 -7.391 -17.241 -9.594 1.00 0.00 O ATOM 188 CB LEU A 16 -9.891 -16.772 -11.246 1.00 0.00 C ATOM 189 CG LEU A 16 -10.530 -17.388 -10.000 1.00 0.00 C ATOM 190 CD1 LEU A 16 -11.484 -16.401 -9.346 1.00 0.00 C ATOM 191 CD2 LEU A 16 -11.255 -18.678 -10.356 1.00 0.00 C ATOM 0 H LEU A 16 -8.593 -19.258 -10.754 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.339 -17.057 -12.706 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.739 -15.708 -11.064 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.598 -16.856 -12.072 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.739 -17.623 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.929 -16.857 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.937 -15.504 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.271 -16.134 -10.051 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.704 -19.103 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.036 -18.467 -11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.545 -19.389 -10.779 1.00 0.00 H new ATOM 203 N ARG A 17 -6.537 -16.089 -11.329 1.00 0.00 N ATOM 204 CA ARG A 17 -5.417 -15.555 -10.564 1.00 0.00 C ATOM 205 C ARG A 17 -5.533 -14.041 -10.414 1.00 0.00 C ATOM 206 O ARG A 17 -4.853 -13.284 -11.105 1.00 0.00 O ATOM 207 CB ARG A 17 -4.093 -15.911 -11.243 1.00 0.00 C ATOM 208 CG ARG A 17 -2.882 -15.751 -10.338 1.00 0.00 C ATOM 209 CD ARG A 17 -2.654 -16.992 -9.489 1.00 0.00 C ATOM 210 NE ARG A 17 -3.378 -16.928 -8.222 1.00 0.00 N ATOM 211 CZ ARG A 17 -3.108 -16.047 -7.265 1.00 0.00 C ATOM 212 NH1 ARG A 17 -2.136 -15.160 -7.430 1.00 0.00 N ATOM 213 NH2 ARG A 17 -3.811 -16.052 -6.139 1.00 0.00 N ATOM 0 H ARG A 17 -6.561 -15.792 -12.304 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.441 -16.004 -9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.140 -16.942 -11.594 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.964 -15.280 -12.123 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.997 -15.555 -10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.022 -14.886 -9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.972 -17.875 -10.044 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.588 -17.106 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.132 -17.596 -8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.593 -15.153 -8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.931 -14.485 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.559 -16.733 -6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.603 -15.375 -5.405 1.00 0.00 H new ATOM 227 N GLY A 18 -6.402 -13.606 -9.506 1.00 0.00 N ATOM 228 CA GLY A 18 -6.593 -12.185 -9.283 1.00 0.00 C ATOM 229 C GLY A 18 -7.006 -11.450 -10.542 1.00 0.00 C ATOM 230 O GLY A 18 -6.312 -10.539 -10.994 1.00 0.00 O ATOM 0 H GLY A 18 -6.977 -14.213 -8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.353 -12.040 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.668 -11.753 -8.901 1.00 0.00 H new ATOM 234 N ILE A 19 -8.139 -11.848 -11.112 1.00 0.00 N ATOM 235 CA ILE A 19 -8.643 -11.221 -12.328 1.00 0.00 C ATOM 236 C ILE A 19 -8.659 -9.702 -12.196 1.00 0.00 C ATOM 237 O ILE A 19 -8.013 -8.993 -12.969 1.00 0.00 O ATOM 238 CB ILE A 19 -10.063 -11.711 -12.666 1.00 0.00 C ATOM 239 CG1 ILE A 19 -10.064 -13.224 -12.894 1.00 0.00 C ATOM 240 CG2 ILE A 19 -10.595 -10.985 -13.893 1.00 0.00 C ATOM 241 CD1 ILE A 19 -11.445 -13.839 -12.867 1.00 0.00 C ATOM 0 H ILE A 19 -8.725 -12.601 -10.751 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.968 -11.506 -13.135 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.718 -11.489 -11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.599 -13.438 -13.856 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.449 -13.699 -12.130 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.600 -11.342 -14.120 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.626 -9.913 -13.697 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.941 -11.179 -14.743 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.368 -14.913 -13.036 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.906 -13.656 -11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.058 -13.392 -13.650 1.00 0.00 H new ATOM 253 N THR A 20 -9.402 -9.206 -11.211 1.00 0.00 N ATOM 254 CA THR A 20 -9.502 -7.771 -10.977 1.00 0.00 C ATOM 255 C THR A 20 -8.521 -7.319 -9.901 1.00 0.00 C ATOM 256 O THR A 20 -7.743 -8.119 -9.381 1.00 0.00 O ATOM 257 CB THR A 20 -10.928 -7.369 -10.556 1.00 0.00 C ATOM 258 OG1 THR A 20 -11.393 -8.231 -9.512 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.881 -7.439 -11.740 1.00 0.00 C ATOM 0 H THR A 20 -9.943 -9.778 -10.562 1.00 0.00 H new ATOM 0 HA THR A 20 -9.256 -7.280 -11.918 1.00 0.00 H new ATOM 0 HB THR A 20 -10.899 -6.342 -10.192 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.300 -7.967 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.882 -7.151 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.541 -6.759 -12.521 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.904 -8.457 -12.129 1.00 0.00 H new ATOM 267 N CYS A 21 -8.563 -6.033 -9.571 1.00 0.00 N ATOM 268 CA CYS A 21 -7.678 -5.474 -8.557 1.00 0.00 C ATOM 269 C CYS A 21 -8.264 -5.662 -7.160 1.00 0.00 C ATOM 270 O CYS A 21 -9.478 -5.587 -6.969 1.00 0.00 O ATOM 271 CB CYS A 21 -7.436 -3.987 -8.825 1.00 0.00 C ATOM 272 SG CYS A 21 -6.768 -3.074 -7.397 1.00 0.00 S ATOM 0 H CYS A 21 -9.201 -5.358 -9.992 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.727 -6.005 -8.607 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.745 -3.887 -9.662 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.375 -3.526 -9.130 1.00 0.00 H new ATOM 277 N LEU A 22 -7.393 -5.905 -6.187 1.00 0.00 N ATOM 278 CA LEU A 22 -7.823 -6.103 -4.808 1.00 0.00 C ATOM 279 C LEU A 22 -8.711 -4.953 -4.343 1.00 0.00 C ATOM 280 O LEU A 22 -9.909 -5.130 -4.125 1.00 0.00 O ATOM 281 CB LEU A 22 -6.607 -6.228 -3.887 1.00 0.00 C ATOM 282 CG LEU A 22 -5.522 -7.207 -4.337 1.00 0.00 C ATOM 283 CD1 LEU A 22 -4.298 -7.095 -3.442 1.00 0.00 C ATOM 284 CD2 LEU A 22 -6.056 -8.632 -4.337 1.00 0.00 C ATOM 0 H LEU A 22 -6.385 -5.970 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.402 -7.025 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.156 -5.242 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.954 -6.531 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.228 -6.951 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.536 -7.799 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.902 -6.081 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.577 -7.325 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.270 -9.315 -4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.379 -8.900 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.902 -8.703 -5.020 1.00 0.00 H new ATOM 296 N ASP A 23 -8.115 -3.775 -4.197 1.00 0.00 N ATOM 297 CA ASP A 23 -8.852 -2.594 -3.761 1.00 0.00 C ATOM 298 C ASP A 23 -10.070 -2.356 -4.650 1.00 0.00 C ATOM 299 O ASP A 23 -11.164 -2.078 -4.159 1.00 0.00 O ATOM 300 CB ASP A 23 -7.944 -1.364 -3.779 1.00 0.00 C ATOM 301 CG ASP A 23 -6.836 -1.448 -2.748 1.00 0.00 C ATOM 302 OD1 ASP A 23 -7.126 -1.832 -1.595 1.00 0.00 O ATOM 303 OD2 ASP A 23 -5.679 -1.129 -3.093 1.00 0.00 O ATOM 0 H ASP A 23 -7.124 -3.612 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.196 -2.766 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.506 -1.254 -4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.542 -0.472 -3.594 1.00 0.00 H new ATOM 308 N HIS A 24 -9.871 -2.466 -5.959 1.00 0.00 N ATOM 309 CA HIS A 24 -10.952 -2.262 -6.917 1.00 0.00 C ATOM 310 C HIS A 24 -11.244 -3.545 -7.688 1.00 0.00 C ATOM 311 O HIS A 24 -10.483 -3.935 -8.573 1.00 0.00 O ATOM 312 CB HIS A 24 -10.595 -1.138 -7.890 1.00 0.00 C ATOM 313 CG HIS A 24 -9.938 0.037 -7.233 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.572 0.142 -7.072 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.466 1.162 -6.698 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.290 1.280 -6.463 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.422 1.918 -6.226 1.00 0.00 N ATOM 0 H HIS A 24 -8.971 -2.695 -6.381 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.847 -1.981 -6.362 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.931 -1.532 -8.659 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.502 -0.802 -8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.514 1.418 -6.651 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.302 1.629 -6.203 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.507 2.825 -5.767 1.00 0.00 H new ATOM 325 N GLU A 25 -12.351 -4.197 -7.345 1.00 0.00 N ATOM 326 CA GLU A 25 -12.741 -5.438 -8.005 1.00 0.00 C ATOM 327 C GLU A 25 -13.499 -5.151 -9.298 1.00 0.00 C ATOM 328 O GLU A 25 -14.421 -5.878 -9.664 1.00 0.00 O ATOM 329 CB GLU A 25 -13.607 -6.287 -7.071 1.00 0.00 C ATOM 330 CG GLU A 25 -15.050 -5.820 -6.986 1.00 0.00 C ATOM 331 CD GLU A 25 -15.682 -6.119 -5.640 1.00 0.00 C ATOM 332 OE1 GLU A 25 -16.018 -7.296 -5.391 1.00 0.00 O ATOM 333 OE2 GLU A 25 -15.840 -5.176 -4.837 1.00 0.00 O ATOM 0 H GLU A 25 -12.993 -3.887 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.834 -5.990 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.589 -7.322 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.170 -6.274 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.092 -4.747 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.631 -6.303 -7.771 1.00 0.00 H new ATOM 340 N ASN A 26 -13.103 -4.084 -9.985 1.00 0.00 N ATOM 341 CA ASN A 26 -13.745 -3.699 -11.236 1.00 0.00 C ATOM 342 C ASN A 26 -12.708 -3.487 -12.336 1.00 0.00 C ATOM 343 O ASN A 26 -12.884 -3.945 -13.464 1.00 0.00 O ATOM 344 CB ASN A 26 -14.567 -2.424 -11.041 1.00 0.00 C ATOM 345 CG ASN A 26 -15.459 -2.492 -9.817 1.00 0.00 C ATOM 346 OD1 ASN A 26 -15.321 -1.695 -8.889 1.00 0.00 O ATOM 347 ND2 ASN A 26 -16.379 -3.449 -9.808 1.00 0.00 N ATOM 0 H ASN A 26 -12.341 -3.471 -9.696 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.410 -4.508 -11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -13.894 -1.572 -10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.181 -2.252 -11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.007 -3.545 -9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.458 -4.088 -10.599 1.00 0.00 H new ATOM 354 N GLU A 27 -11.629 -2.788 -11.997 1.00 0.00 N ATOM 355 CA GLU A 27 -10.565 -2.515 -12.956 1.00 0.00 C ATOM 356 C GLU A 27 -9.506 -3.613 -12.921 1.00 0.00 C ATOM 357 O GLU A 27 -8.940 -3.913 -11.870 1.00 0.00 O ATOM 358 CB GLU A 27 -9.920 -1.159 -12.663 1.00 0.00 C ATOM 359 CG GLU A 27 -10.877 0.013 -12.798 1.00 0.00 C ATOM 360 CD GLU A 27 -11.168 0.364 -14.244 1.00 0.00 C ATOM 361 OE1 GLU A 27 -10.205 0.521 -15.023 1.00 0.00 O ATOM 362 OE2 GLU A 27 -12.361 0.483 -14.596 1.00 0.00 O ATOM 0 H GLU A 27 -11.469 -2.401 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.006 -2.492 -13.953 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.514 -1.171 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.080 -1.011 -13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.812 -0.226 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.454 0.883 -12.295 1.00 0.00 H new ATOM 369 N LYS A 28 -9.243 -4.210 -14.079 1.00 0.00 N ATOM 370 CA LYS A 28 -8.252 -5.274 -14.183 1.00 0.00 C ATOM 371 C LYS A 28 -6.837 -4.707 -14.133 1.00 0.00 C ATOM 372 O LYS A 28 -6.415 -3.982 -15.034 1.00 0.00 O ATOM 373 CB LYS A 28 -8.452 -6.060 -15.482 1.00 0.00 C ATOM 374 CG LYS A 28 -9.494 -7.159 -15.373 1.00 0.00 C ATOM 375 CD LYS A 28 -9.373 -8.157 -16.512 1.00 0.00 C ATOM 376 CE LYS A 28 -10.696 -8.856 -16.784 1.00 0.00 C ATOM 377 NZ LYS A 28 -11.564 -8.064 -17.700 1.00 0.00 N ATOM 0 H LYS A 28 -9.703 -3.975 -14.959 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.386 -5.945 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.745 -5.370 -16.273 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.501 -6.501 -15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.380 -7.677 -14.421 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.491 -6.718 -15.379 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.040 -7.643 -17.414 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.612 -8.898 -16.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.506 -9.836 -17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.219 -9.023 -15.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.456 -8.574 -17.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.767 -7.138 -17.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.076 -7.926 -18.608 1.00 0.00 H new ATOM 391 N VAL A 29 -6.107 -5.043 -13.074 1.00 0.00 N ATOM 392 CA VAL A 29 -4.738 -4.569 -12.908 1.00 0.00 C ATOM 393 C VAL A 29 -4.032 -4.445 -14.253 1.00 0.00 C ATOM 394 O VAL A 29 -3.839 -5.435 -14.958 1.00 0.00 O ATOM 395 CB VAL A 29 -3.925 -5.510 -11.999 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.313 -5.312 -10.542 1.00 0.00 C ATOM 397 CG2 VAL A 29 -4.122 -6.959 -12.420 1.00 0.00 C ATOM 0 H VAL A 29 -6.441 -5.641 -12.318 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.798 -3.586 -12.441 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.868 -5.265 -12.105 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.728 -5.985 -9.915 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.115 -4.281 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.374 -5.528 -10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.540 -7.610 -11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.178 -7.219 -12.345 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.789 -7.087 -13.450 1.00 0.00 H new ATOM 407 N ASN A 30 -3.649 -3.221 -14.603 1.00 0.00 N ATOM 408 CA ASN A 30 -2.964 -2.967 -15.865 1.00 0.00 C ATOM 409 C ASN A 30 -1.590 -2.349 -15.624 1.00 0.00 C ATOM 410 O ASN A 30 -0.822 -2.133 -16.561 1.00 0.00 O ATOM 411 CB ASN A 30 -3.804 -2.041 -16.748 1.00 0.00 C ATOM 412 CG ASN A 30 -4.146 -0.736 -16.056 1.00 0.00 C ATOM 413 OD1 ASN A 30 -4.976 -0.702 -15.147 1.00 0.00 O ATOM 414 ND2 ASN A 30 -3.507 0.346 -16.484 1.00 0.00 N ATOM 0 H ASN A 30 -3.801 -2.390 -14.031 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.829 -3.921 -16.375 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.260 -1.829 -17.669 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.725 -2.551 -17.032 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.696 1.253 -16.056 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.827 0.271 -17.240 1.00 0.00 H new ATOM 421 N MET A 31 -1.288 -2.066 -14.361 1.00 0.00 N ATOM 422 CA MET A 31 -0.007 -1.474 -13.995 1.00 0.00 C ATOM 423 C MET A 31 0.675 -2.288 -12.900 1.00 0.00 C ATOM 424 O MET A 31 0.057 -3.154 -12.281 1.00 0.00 O ATOM 425 CB MET A 31 -0.202 -0.031 -13.529 1.00 0.00 C ATOM 426 CG MET A 31 -0.164 0.984 -14.660 1.00 0.00 C ATOM 427 SD MET A 31 -0.286 2.684 -14.072 1.00 0.00 S ATOM 428 CE MET A 31 -2.034 2.789 -13.698 1.00 0.00 C ATOM 0 H MET A 31 -1.913 -2.237 -13.574 1.00 0.00 H new ATOM 0 HA MET A 31 0.633 -1.479 -14.878 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.158 0.049 -13.012 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.574 0.216 -12.804 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.763 0.863 -15.220 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.983 0.783 -15.351 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.388 3.801 -13.893 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.583 2.086 -14.324 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.197 2.544 -12.649 1.00 0.00 H new ATOM 438 N TYR A 32 1.951 -2.003 -12.665 1.00 0.00 N ATOM 439 CA TYR A 32 2.717 -2.710 -11.646 1.00 0.00 C ATOM 440 C TYR A 32 3.644 -1.755 -10.900 1.00 0.00 C ATOM 441 O TYR A 32 4.580 -1.201 -11.478 1.00 0.00 O ATOM 442 CB TYR A 32 3.533 -3.837 -12.282 1.00 0.00 C ATOM 443 CG TYR A 32 4.720 -4.269 -11.450 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.568 -5.166 -10.400 1.00 0.00 C ATOM 445 CD2 TYR A 32 5.993 -3.780 -11.714 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.649 -5.563 -9.637 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.080 -4.172 -10.957 1.00 0.00 C ATOM 448 CZ TYR A 32 6.903 -5.063 -9.920 1.00 0.00 C ATOM 449 OH TYR A 32 7.983 -5.456 -9.163 1.00 0.00 O ATOM 0 H TYR A 32 2.477 -1.287 -13.167 1.00 0.00 H new ATOM 0 HA TYR A 32 2.014 -3.138 -10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.883 -4.697 -12.447 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.885 -3.512 -13.261 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.588 -5.560 -10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.135 -3.081 -12.525 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.513 -6.261 -8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.063 -3.783 -11.176 1.00 0.00 H new ATOM 0 HH TYR A 32 8.792 -5.013 -9.493 1.00 0.00 H new ATOM 459 N CYS A 33 3.377 -1.567 -9.612 1.00 0.00 N ATOM 460 CA CYS A 33 4.184 -0.680 -8.784 1.00 0.00 C ATOM 461 C CYS A 33 5.594 -1.236 -8.606 1.00 0.00 C ATOM 462 O CYS A 33 5.779 -2.434 -8.394 1.00 0.00 O ATOM 463 CB CYS A 33 3.526 -0.483 -7.418 1.00 0.00 C ATOM 464 SG CYS A 33 3.907 1.116 -6.632 1.00 0.00 S ATOM 0 H CYS A 33 2.607 -2.018 -9.119 1.00 0.00 H new ATOM 0 HA CYS A 33 4.253 0.284 -9.288 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.446 -0.572 -7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.844 -1.287 -6.754 1.00 0.00 H new ATOM 469 N VAL A 34 6.587 -0.356 -8.693 1.00 0.00 N ATOM 470 CA VAL A 34 7.980 -0.758 -8.540 1.00 0.00 C ATOM 471 C VAL A 34 8.396 -0.751 -7.074 1.00 0.00 C ATOM 472 O VAL A 34 9.087 -1.658 -6.610 1.00 0.00 O ATOM 473 CB VAL A 34 8.921 0.168 -9.334 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.374 -0.127 -8.991 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.677 0.022 -10.828 1.00 0.00 C ATOM 0 H VAL A 34 6.452 0.640 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 34 8.062 -1.771 -8.933 1.00 0.00 H new ATOM 0 HB VAL A 34 8.708 1.200 -9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.024 0.536 -9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.536 0.034 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.604 -1.163 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.350 0.683 -11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.861 -1.010 -11.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.645 0.288 -11.056 1.00 0.00 H new ATOM 485 N SER A 35 7.970 0.278 -6.348 1.00 0.00 N ATOM 486 CA SER A 35 8.301 0.404 -4.933 1.00 0.00 C ATOM 487 C SER A 35 7.585 -0.662 -4.110 1.00 0.00 C ATOM 488 O SER A 35 8.165 -1.249 -3.196 1.00 0.00 O ATOM 489 CB SER A 35 7.925 1.797 -4.423 1.00 0.00 C ATOM 490 OG SER A 35 8.318 1.967 -3.072 1.00 0.00 O ATOM 0 H SER A 35 7.395 1.036 -6.716 1.00 0.00 H new ATOM 0 HA SER A 35 9.376 0.261 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.403 2.556 -5.043 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.849 1.943 -4.513 1.00 0.00 H new ATOM 0 HG SER A 35 8.068 2.865 -2.769 1.00 0.00 H new ATOM 496 N ASP A 36 6.323 -0.908 -4.442 1.00 0.00 N ATOM 497 CA ASP A 36 5.526 -1.904 -3.735 1.00 0.00 C ATOM 498 C ASP A 36 5.717 -3.287 -4.349 1.00 0.00 C ATOM 499 O ASP A 36 5.546 -4.305 -3.677 1.00 0.00 O ATOM 500 CB ASP A 36 4.046 -1.519 -3.764 1.00 0.00 C ATOM 501 CG ASP A 36 3.688 -0.515 -2.687 1.00 0.00 C ATOM 502 OD1 ASP A 36 3.859 -0.840 -1.493 1.00 0.00 O ATOM 503 OD2 ASP A 36 3.234 0.595 -3.036 1.00 0.00 O ATOM 0 H ASP A 36 5.829 -0.431 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 36 5.864 -1.936 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.801 -1.102 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.438 -2.415 -3.638 1.00 0.00 H new ATOM 508 N ASP A 37 6.072 -3.317 -5.629 1.00 0.00 N ATOM 509 CA ASP A 37 6.286 -4.576 -6.334 1.00 0.00 C ATOM 510 C ASP A 37 5.017 -5.422 -6.332 1.00 0.00 C ATOM 511 O ASP A 37 5.061 -6.621 -6.058 1.00 0.00 O ATOM 512 CB ASP A 37 7.435 -5.355 -5.693 1.00 0.00 C ATOM 513 CG ASP A 37 8.631 -4.475 -5.385 1.00 0.00 C ATOM 514 OD1 ASP A 37 9.495 -4.317 -6.273 1.00 0.00 O ATOM 515 OD2 ASP A 37 8.703 -3.944 -4.257 1.00 0.00 O ATOM 0 H ASP A 37 6.218 -2.484 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 37 6.546 -4.346 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.085 -5.822 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.742 -6.159 -6.361 1.00 0.00 H new ATOM 520 N GLN A 38 3.889 -4.790 -6.638 1.00 0.00 N ATOM 521 CA GLN A 38 2.608 -5.486 -6.669 1.00 0.00 C ATOM 522 C GLN A 38 1.771 -5.033 -7.861 1.00 0.00 C ATOM 523 O GLN A 38 1.970 -3.940 -8.394 1.00 0.00 O ATOM 524 CB GLN A 38 1.839 -5.241 -5.369 1.00 0.00 C ATOM 525 CG GLN A 38 0.838 -6.336 -5.040 1.00 0.00 C ATOM 526 CD GLN A 38 -0.462 -6.189 -5.806 1.00 0.00 C ATOM 527 OE1 GLN A 38 -0.874 -7.094 -6.532 1.00 0.00 O ATOM 528 NE2 GLN A 38 -1.116 -5.044 -5.647 1.00 0.00 N ATOM 0 H GLN A 38 3.836 -3.798 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 38 2.805 -6.553 -6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.550 -5.151 -4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.313 -4.289 -5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.280 -7.307 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.628 -6.322 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.737 -4.321 -5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.997 -4.888 -6.137 1.00 0.00 H new ATOM 537 N LEU A 39 0.836 -5.880 -8.277 1.00 0.00 N ATOM 538 CA LEU A 39 -0.032 -5.567 -9.407 1.00 0.00 C ATOM 539 C LEU A 39 -1.137 -4.600 -8.995 1.00 0.00 C ATOM 540 O LEU A 39 -1.850 -4.837 -8.019 1.00 0.00 O ATOM 541 CB LEU A 39 -0.645 -6.849 -9.974 1.00 0.00 C ATOM 542 CG LEU A 39 0.344 -7.927 -10.417 1.00 0.00 C ATOM 543 CD1 LEU A 39 -0.390 -9.210 -10.776 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.174 -7.438 -11.595 1.00 0.00 C ATOM 0 H LEU A 39 0.659 -6.789 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 39 0.574 -5.089 -10.177 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.304 -7.277 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.268 -6.583 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 39 1.018 -8.138 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.330 -9.966 -11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.939 -9.570 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.088 -9.014 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.873 -8.218 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.515 -7.198 -12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.730 -6.547 -11.304 1.00 0.00 H new ATOM 556 N ILE A 40 -1.274 -3.512 -9.745 1.00 0.00 N ATOM 557 CA ILE A 40 -2.294 -2.511 -9.459 1.00 0.00 C ATOM 558 C ILE A 40 -3.095 -2.170 -10.710 1.00 0.00 C ATOM 559 O ILE A 40 -2.754 -2.596 -11.814 1.00 0.00 O ATOM 560 CB ILE A 40 -1.673 -1.220 -8.892 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.808 -0.536 -9.952 1.00 0.00 C ATOM 562 CG2 ILE A 40 -0.852 -1.529 -7.649 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.579 0.935 -9.687 1.00 0.00 C ATOM 0 H ILE A 40 -0.691 -3.301 -10.555 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.959 -2.943 -8.711 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.477 -0.540 -8.612 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.156 -1.042 -10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.282 -0.652 -10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.420 -0.607 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.494 -1.977 -6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.053 -2.225 -7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.042 1.355 -10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.537 1.454 -9.664 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.077 1.058 -8.728 1.00 0.00 H new ATOM 575 N CYS A 41 -4.161 -1.396 -10.531 1.00 0.00 N ATOM 576 CA CYS A 41 -5.011 -0.995 -11.646 1.00 0.00 C ATOM 577 C CYS A 41 -4.863 0.496 -11.934 1.00 0.00 C ATOM 578 O CYS A 41 -4.036 1.177 -11.327 1.00 0.00 O ATOM 579 CB CYS A 41 -6.474 -1.324 -11.342 1.00 0.00 C ATOM 580 SG CYS A 41 -7.240 -0.232 -10.101 1.00 0.00 S ATOM 0 H CYS A 41 -4.456 -1.034 -9.624 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.696 -1.551 -12.529 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.048 -1.264 -12.267 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.538 -2.354 -10.993 1.00 0.00 H new ATOM 585 N ALA A 42 -5.670 0.997 -12.864 1.00 0.00 N ATOM 586 CA ALA A 42 -5.630 2.407 -13.231 1.00 0.00 C ATOM 587 C ALA A 42 -6.023 3.292 -12.052 1.00 0.00 C ATOM 588 O ALA A 42 -5.342 4.271 -11.745 1.00 0.00 O ATOM 589 CB ALA A 42 -6.545 2.669 -14.418 1.00 0.00 C ATOM 0 H ALA A 42 -6.359 0.447 -13.377 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.607 2.655 -13.513 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.506 3.726 -14.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.218 2.071 -15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.568 2.398 -14.156 1.00 0.00 H new ATOM 595 N LEU A 43 -7.124 2.942 -11.397 1.00 0.00 N ATOM 596 CA LEU A 43 -7.608 3.705 -10.252 1.00 0.00 C ATOM 597 C LEU A 43 -6.567 3.734 -9.137 1.00 0.00 C ATOM 598 O LEU A 43 -6.478 4.702 -8.381 1.00 0.00 O ATOM 599 CB LEU A 43 -8.914 3.106 -9.730 1.00 0.00 C ATOM 600 CG LEU A 43 -10.130 3.245 -10.646 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.294 2.420 -10.117 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.530 4.707 -10.784 1.00 0.00 C ATOM 0 H LEU A 43 -7.699 2.135 -11.639 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.791 4.728 -10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.751 2.046 -9.534 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.149 3.575 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.862 2.868 -11.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.151 2.531 -10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.005 1.370 -10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.562 2.767 -9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.397 4.787 -11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.779 5.110 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.701 5.273 -11.209 1.00 0.00 H new ATOM 614 N CYS A 44 -5.779 2.668 -9.043 1.00 0.00 N ATOM 615 CA CYS A 44 -4.743 2.571 -8.022 1.00 0.00 C ATOM 616 C CYS A 44 -3.688 3.658 -8.213 1.00 0.00 C ATOM 617 O CYS A 44 -2.916 3.956 -7.301 1.00 0.00 O ATOM 618 CB CYS A 44 -4.082 1.192 -8.066 1.00 0.00 C ATOM 619 SG CYS A 44 -4.883 -0.050 -7.001 1.00 0.00 S ATOM 0 H CYS A 44 -5.838 1.859 -9.662 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.213 2.711 -7.049 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.087 0.831 -9.094 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.038 1.291 -7.768 1.00 0.00 H new ATOM 624 N LYS A 45 -3.663 4.247 -9.403 1.00 0.00 N ATOM 625 CA LYS A 45 -2.706 5.302 -9.715 1.00 0.00 C ATOM 626 C LYS A 45 -3.411 6.644 -9.884 1.00 0.00 C ATOM 627 O LYS A 45 -2.802 7.702 -9.723 1.00 0.00 O ATOM 628 CB LYS A 45 -1.931 4.957 -10.989 1.00 0.00 C ATOM 629 CG LYS A 45 -1.095 6.107 -11.523 1.00 0.00 C ATOM 630 CD LYS A 45 0.169 6.306 -10.703 1.00 0.00 C ATOM 631 CE LYS A 45 1.224 7.074 -11.483 1.00 0.00 C ATOM 632 NZ LYS A 45 0.816 8.485 -11.727 1.00 0.00 N ATOM 0 H LYS A 45 -4.295 4.012 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.007 5.381 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.279 4.107 -10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.636 4.643 -11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.829 5.913 -12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.685 7.023 -11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.072 6.845 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.568 5.336 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.165 7.058 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.403 6.578 -12.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.562 8.975 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.069 8.501 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.670 8.966 -10.817 1.00 0.00 H new ATOM 646 N LEU A 46 -4.698 6.594 -10.208 1.00 0.00 N ATOM 647 CA LEU A 46 -5.488 7.806 -10.398 1.00 0.00 C ATOM 648 C LEU A 46 -5.935 8.379 -9.058 1.00 0.00 C ATOM 649 O LEU A 46 -5.420 9.402 -8.605 1.00 0.00 O ATOM 650 CB LEU A 46 -6.708 7.512 -11.273 1.00 0.00 C ATOM 651 CG LEU A 46 -6.500 7.647 -12.782 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.290 6.842 -13.229 1.00 0.00 C ATOM 653 CD2 LEU A 46 -7.747 7.203 -13.533 1.00 0.00 C ATOM 0 H LEU A 46 -5.217 5.727 -10.345 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.861 8.545 -10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.045 6.497 -11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.514 8.184 -10.976 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.316 8.696 -13.012 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.158 6.951 -14.306 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.400 7.207 -12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.443 5.790 -12.986 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.582 7.306 -14.605 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.962 6.161 -13.297 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.592 7.824 -13.235 1.00 0.00 H new ATOM 665 N VAL A 47 -6.896 7.713 -8.426 1.00 0.00 N ATOM 666 CA VAL A 47 -7.411 8.155 -7.135 1.00 0.00 C ATOM 667 C VAL A 47 -7.198 7.090 -6.065 1.00 0.00 C ATOM 668 O VAL A 47 -7.898 7.062 -5.054 1.00 0.00 O ATOM 669 CB VAL A 47 -8.912 8.493 -7.215 1.00 0.00 C ATOM 670 CG1 VAL A 47 -9.162 9.565 -8.265 1.00 0.00 C ATOM 671 CG2 VAL A 47 -9.724 7.242 -7.514 1.00 0.00 C ATOM 0 H VAL A 47 -7.334 6.865 -8.787 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.858 9.054 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.232 8.883 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.227 9.791 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.610 10.467 -8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.828 9.206 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.782 7.499 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.405 6.820 -8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.568 6.509 -6.722 1.00 0.00 H new ATOM 681 N GLY A 48 -6.225 6.214 -6.295 1.00 0.00 N ATOM 682 CA GLY A 48 -5.936 5.158 -5.342 1.00 0.00 C ATOM 683 C GLY A 48 -4.864 5.554 -4.347 1.00 0.00 C ATOM 684 O GLY A 48 -4.882 6.663 -3.813 1.00 0.00 O ATOM 0 H GLY A 48 -5.631 6.217 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.848 4.898 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.617 4.265 -5.879 1.00 0.00 H new ATOM 688 N ARG A 49 -3.928 4.644 -4.095 1.00 0.00 N ATOM 689 CA ARG A 49 -2.845 4.903 -3.154 1.00 0.00 C ATOM 690 C ARG A 49 -1.519 5.082 -3.888 1.00 0.00 C ATOM 691 O ARG A 49 -0.721 5.956 -3.546 1.00 0.00 O ATOM 692 CB ARG A 49 -2.731 3.758 -2.146 1.00 0.00 C ATOM 693 CG ARG A 49 -3.935 3.635 -1.226 1.00 0.00 C ATOM 694 CD ARG A 49 -3.805 4.542 -0.013 1.00 0.00 C ATOM 695 NE ARG A 49 -2.717 4.124 0.868 1.00 0.00 N ATOM 696 CZ ARG A 49 -2.812 3.116 1.727 1.00 0.00 C ATOM 697 NH1 ARG A 49 -3.940 2.426 1.821 1.00 0.00 N ATOM 698 NH2 ARG A 49 -1.778 2.797 2.495 1.00 0.00 N ATOM 0 H ARG A 49 -3.898 3.722 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.074 5.826 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.600 2.821 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.836 3.905 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.841 3.889 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.040 2.601 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.631 5.566 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.743 4.541 0.543 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.835 4.635 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.737 2.669 1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.011 1.652 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.909 3.326 2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.852 2.022 3.154 1.00 0.00 H new ATOM 712 N HIS A 50 -1.290 4.249 -4.897 1.00 0.00 N ATOM 713 CA HIS A 50 -0.061 4.315 -5.680 1.00 0.00 C ATOM 714 C HIS A 50 -0.106 5.478 -6.666 1.00 0.00 C ATOM 715 O HIS A 50 0.157 5.306 -7.856 1.00 0.00 O ATOM 716 CB HIS A 50 0.162 3.003 -6.431 1.00 0.00 C ATOM 717 CG HIS A 50 -0.180 1.786 -5.627 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.767 1.023 -4.977 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.373 1.203 -5.367 1.00 0.00 C ATOM 720 CE1 HIS A 50 0.171 0.022 -4.354 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.128 0.109 -4.575 1.00 0.00 N ATOM 0 H HIS A 50 -1.939 3.520 -5.192 1.00 0.00 H new ATOM 0 HA HIS A 50 0.769 4.477 -4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.439 3.008 -7.340 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.206 2.943 -6.739 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.339 1.536 -5.717 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.662 -0.738 -3.764 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.835 -0.533 -4.215 1.00 0.00 H new ATOM 729 N ARG A 51 -0.444 6.662 -6.163 1.00 0.00 N ATOM 730 CA ARG A 51 -0.526 7.852 -7.000 1.00 0.00 C ATOM 731 C ARG A 51 0.855 8.467 -7.208 1.00 0.00 C ATOM 732 O ARG A 51 1.163 8.977 -8.286 1.00 0.00 O ATOM 733 CB ARG A 51 -1.465 8.882 -6.368 1.00 0.00 C ATOM 734 CG ARG A 51 -2.823 8.315 -5.988 1.00 0.00 C ATOM 735 CD ARG A 51 -3.628 9.306 -5.161 1.00 0.00 C ATOM 736 NE ARG A 51 -3.112 9.430 -3.800 1.00 0.00 N ATOM 737 CZ ARG A 51 -3.656 10.214 -2.877 1.00 0.00 C ATOM 738 NH1 ARG A 51 -4.727 10.941 -3.167 1.00 0.00 N ATOM 739 NH2 ARG A 51 -3.130 10.273 -1.661 1.00 0.00 N ATOM 0 H ARG A 51 -0.665 6.822 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.923 7.556 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.991 9.295 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.607 9.707 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.377 8.058 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.688 7.393 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.610 10.282 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.670 8.987 -5.126 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.289 8.884 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.135 10.898 -4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.143 11.542 -2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.306 9.716 -1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.549 10.876 -0.953 1.00 0.00 H new ATOM 753 N ASP A 52 1.682 8.416 -6.170 1.00 0.00 N ATOM 754 CA ASP A 52 3.030 8.967 -6.239 1.00 0.00 C ATOM 755 C ASP A 52 4.033 7.899 -6.663 1.00 0.00 C ATOM 756 O ASP A 52 4.897 8.143 -7.506 1.00 0.00 O ATOM 757 CB ASP A 52 3.434 9.554 -4.885 1.00 0.00 C ATOM 758 CG ASP A 52 2.756 10.881 -4.604 1.00 0.00 C ATOM 759 OD1 ASP A 52 1.508 10.911 -4.552 1.00 0.00 O ATOM 760 OD2 ASP A 52 3.473 11.889 -4.437 1.00 0.00 O ATOM 0 H ASP A 52 1.443 7.999 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 52 3.033 9.760 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.182 8.846 -4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.515 9.689 -4.859 1.00 0.00 H new ATOM 765 N HIS A 53 3.913 6.714 -6.073 1.00 0.00 N ATOM 766 CA HIS A 53 4.810 5.608 -6.389 1.00 0.00 C ATOM 767 C HIS A 53 5.065 5.528 -7.891 1.00 0.00 C ATOM 768 O HIS A 53 4.241 5.966 -8.694 1.00 0.00 O ATOM 769 CB HIS A 53 4.222 4.288 -5.890 1.00 0.00 C ATOM 770 CG HIS A 53 3.854 4.307 -4.438 1.00 0.00 C ATOM 771 ND1 HIS A 53 3.132 3.302 -3.831 1.00 0.00 N ATOM 772 CD2 HIS A 53 4.114 5.218 -3.471 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.963 3.594 -2.553 1.00 0.00 C ATOM 774 NE2 HIS A 53 3.550 4.752 -2.309 1.00 0.00 N ATOM 0 H HIS A 53 3.204 6.495 -5.374 1.00 0.00 H new ATOM 0 HA HIS A 53 5.760 5.788 -5.885 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.336 4.049 -6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.944 3.490 -6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.663 6.140 -3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.435 2.989 -1.831 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.579 5.223 -1.405 1.00 0.00 H new ATOM 782 N GLN A 54 6.211 4.967 -8.263 1.00 0.00 N ATOM 783 CA GLN A 54 6.575 4.833 -9.669 1.00 0.00 C ATOM 784 C GLN A 54 6.037 3.528 -10.247 1.00 0.00 C ATOM 785 O GLN A 54 6.563 2.450 -9.968 1.00 0.00 O ATOM 786 CB GLN A 54 8.095 4.889 -9.832 1.00 0.00 C ATOM 787 CG GLN A 54 8.562 4.654 -11.259 1.00 0.00 C ATOM 788 CD GLN A 54 9.955 5.195 -11.514 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.140 6.395 -11.715 1.00 0.00 O ATOM 790 NE2 GLN A 54 10.945 4.310 -11.506 1.00 0.00 N ATOM 0 H GLN A 54 6.903 4.598 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 54 6.128 5.663 -10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.452 5.863 -9.497 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.550 4.142 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.547 3.585 -11.471 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.862 5.125 -11.949 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.746 3.324 -11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.904 4.616 -11.671 1.00 0.00 H new ATOM 799 N VAL A 55 4.986 3.632 -11.054 1.00 0.00 N ATOM 800 CA VAL A 55 4.378 2.461 -11.673 1.00 0.00 C ATOM 801 C VAL A 55 4.836 2.302 -13.118 1.00 0.00 C ATOM 802 O VAL A 55 4.937 3.279 -13.859 1.00 0.00 O ATOM 803 CB VAL A 55 2.840 2.543 -11.640 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.341 2.642 -10.206 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.353 3.725 -12.465 1.00 0.00 C ATOM 0 H VAL A 55 4.538 4.516 -11.294 1.00 0.00 H new ATOM 0 HA VAL A 55 4.701 1.595 -11.095 1.00 0.00 H new ATOM 0 HB VAL A 55 2.435 1.631 -12.078 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.252 2.699 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.660 1.762 -9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.753 3.536 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.264 3.768 -12.431 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.766 4.648 -12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.679 3.607 -13.498 1.00 0.00 H new ATOM 815 N ALA A 56 5.113 1.063 -13.513 1.00 0.00 N ATOM 816 CA ALA A 56 5.559 0.775 -14.870 1.00 0.00 C ATOM 817 C ALA A 56 4.416 0.228 -15.719 1.00 0.00 C ATOM 818 O ALA A 56 4.030 -0.933 -15.583 1.00 0.00 O ATOM 819 CB ALA A 56 6.719 -0.208 -14.847 1.00 0.00 C ATOM 0 H ALA A 56 5.036 0.243 -12.912 1.00 0.00 H new ATOM 0 HA ALA A 56 5.897 1.708 -15.320 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.042 -0.414 -15.868 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.548 0.221 -14.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.400 -1.136 -14.373 1.00 0.00 H new ATOM 825 N SER A 57 3.878 1.072 -16.594 1.00 0.00 N ATOM 826 CA SER A 57 2.775 0.673 -17.461 1.00 0.00 C ATOM 827 C SER A 57 3.016 -0.717 -18.041 1.00 0.00 C ATOM 828 O SER A 57 4.157 -1.115 -18.278 1.00 0.00 O ATOM 829 CB SER A 57 2.598 1.687 -18.593 1.00 0.00 C ATOM 830 OG SER A 57 1.956 2.862 -18.130 1.00 0.00 O ATOM 0 H SER A 57 4.188 2.035 -16.721 1.00 0.00 H new ATOM 0 HA SER A 57 1.865 0.645 -16.862 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.571 1.942 -19.012 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.012 1.241 -19.396 1.00 0.00 H new ATOM 0 HG SER A 57 1.856 3.494 -18.872 1.00 0.00 H new ATOM 836 N LEU A 58 1.932 -1.452 -18.268 1.00 0.00 N ATOM 837 CA LEU A 58 2.023 -2.799 -18.820 1.00 0.00 C ATOM 838 C LEU A 58 1.199 -2.920 -20.098 1.00 0.00 C ATOM 839 O LEU A 58 -0.023 -3.053 -20.050 1.00 0.00 O ATOM 840 CB LEU A 58 1.546 -3.826 -17.793 1.00 0.00 C ATOM 841 CG LEU A 58 2.034 -3.618 -16.359 1.00 0.00 C ATOM 842 CD1 LEU A 58 1.263 -4.510 -15.398 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.528 -3.889 -16.259 1.00 0.00 C ATOM 0 H LEU A 58 0.980 -1.138 -18.078 1.00 0.00 H new ATOM 0 HA LEU A 58 3.067 -2.996 -19.063 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.456 -3.826 -17.788 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.863 -4.815 -18.124 1.00 0.00 H new ATOM 0 HG LEU A 58 1.854 -2.579 -16.082 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.624 -4.348 -14.382 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.202 -4.268 -15.449 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.410 -5.554 -15.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.858 -3.736 -15.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.732 -4.918 -16.556 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.066 -3.208 -16.918 1.00 0.00 H new ATOM 855 N ASN A 59 1.877 -2.875 -21.240 1.00 0.00 N ATOM 856 CA ASN A 59 1.208 -2.981 -22.532 1.00 0.00 C ATOM 857 C ASN A 59 1.794 -4.123 -23.356 1.00 0.00 C ATOM 858 O ASN A 59 2.935 -4.534 -23.143 1.00 0.00 O ATOM 859 CB ASN A 59 1.330 -1.666 -23.303 1.00 0.00 C ATOM 860 CG ASN A 59 0.511 -1.665 -24.579 1.00 0.00 C ATOM 861 OD1 ASN A 59 1.035 -1.906 -25.666 1.00 0.00 O ATOM 862 ND2 ASN A 59 -0.783 -1.393 -24.451 1.00 0.00 N ATOM 0 H ASN A 59 2.890 -2.766 -21.297 1.00 0.00 H new ATOM 0 HA ASN A 59 0.154 -3.191 -22.351 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.006 -0.843 -22.666 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.377 -1.487 -23.547 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.385 -1.378 -25.274 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.175 -1.199 -23.529 1.00 0.00 H new ATOM 869 N ASP A 60 1.007 -4.631 -24.297 1.00 0.00 N ATOM 870 CA ASP A 60 1.448 -5.725 -25.155 1.00 0.00 C ATOM 871 C ASP A 60 1.316 -5.347 -26.628 1.00 0.00 C ATOM 872 O ASP A 60 0.590 -4.417 -26.977 1.00 0.00 O ATOM 873 CB ASP A 60 0.636 -6.988 -24.865 1.00 0.00 C ATOM 874 CG ASP A 60 0.834 -7.491 -23.449 1.00 0.00 C ATOM 875 OD1 ASP A 60 0.599 -6.710 -22.504 1.00 0.00 O ATOM 876 OD2 ASP A 60 1.226 -8.666 -23.286 1.00 0.00 O ATOM 0 H ASP A 60 0.060 -4.303 -24.486 1.00 0.00 H new ATOM 0 HA ASP A 60 2.499 -5.921 -24.941 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.422 -6.782 -25.030 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.922 -7.770 -25.569 1.00 0.00 H new ATOM 881 N ARG A 61 2.025 -6.075 -27.485 1.00 0.00 N ATOM 882 CA ARG A 61 1.989 -5.815 -28.919 1.00 0.00 C ATOM 883 C ARG A 61 0.577 -5.455 -29.371 1.00 0.00 C ATOM 884 O ARG A 61 -0.341 -6.271 -29.287 1.00 0.00 O ATOM 885 CB ARG A 61 2.488 -7.036 -29.693 1.00 0.00 C ATOM 886 CG ARG A 61 2.006 -8.359 -29.120 1.00 0.00 C ATOM 887 CD ARG A 61 3.072 -9.438 -29.238 1.00 0.00 C ATOM 888 NE ARG A 61 2.494 -10.779 -29.242 1.00 0.00 N ATOM 889 CZ ARG A 61 3.218 -11.891 -29.191 1.00 0.00 C ATOM 890 NH1 ARG A 61 4.541 -11.823 -29.134 1.00 0.00 N ATOM 891 NH2 ARG A 61 2.620 -13.076 -29.198 1.00 0.00 N ATOM 0 H ARG A 61 2.631 -6.849 -27.211 1.00 0.00 H new ATOM 0 HA ARG A 61 2.645 -4.969 -29.126 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.160 -6.958 -30.729 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.578 -7.029 -29.702 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.735 -8.226 -28.073 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.105 -8.677 -29.644 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.642 -9.286 -30.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.773 -9.348 -28.408 1.00 0.00 H new ATOM 0 HE ARG A 61 1.479 -10.866 -29.286 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.005 -10.915 -29.129 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.094 -12.679 -29.095 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.603 -13.134 -29.243 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.178 -13.929 -29.159 1.00 0.00 H new ATOM 905 N PHE A 62 0.409 -4.227 -29.851 1.00 0.00 N ATOM 906 CA PHE A 62 -0.891 -3.757 -30.315 1.00 0.00 C ATOM 907 C PHE A 62 -0.849 -3.421 -31.802 1.00 0.00 C ATOM 908 O PHE A 62 -0.606 -2.276 -32.183 1.00 0.00 O ATOM 909 CB PHE A 62 -1.329 -2.529 -29.515 1.00 0.00 C ATOM 910 CG PHE A 62 -2.690 -2.020 -29.894 1.00 0.00 C ATOM 911 CD1 PHE A 62 -3.833 -2.596 -29.361 1.00 0.00 C ATOM 912 CD2 PHE A 62 -2.828 -0.967 -30.783 1.00 0.00 C ATOM 913 CE1 PHE A 62 -5.086 -2.130 -29.710 1.00 0.00 C ATOM 914 CE2 PHE A 62 -4.079 -0.496 -31.135 1.00 0.00 C ATOM 915 CZ PHE A 62 -5.210 -1.078 -30.597 1.00 0.00 C ATOM 0 H PHE A 62 1.158 -3.539 -29.929 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.614 -4.558 -30.162 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.325 -2.777 -28.454 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.599 -1.732 -29.659 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.743 -3.418 -28.666 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.947 -0.508 -31.207 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.969 -2.588 -29.289 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.172 0.326 -31.830 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.189 -0.712 -30.869 1.00 0.00 H new ATOM 925 N GLU A 63 -1.086 -4.427 -32.638 1.00 0.00 N ATOM 926 CA GLU A 63 -1.074 -4.238 -34.084 1.00 0.00 C ATOM 927 C GLU A 63 -2.195 -5.033 -34.746 1.00 0.00 C ATOM 928 O GLU A 63 -2.211 -6.264 -34.701 1.00 0.00 O ATOM 929 CB GLU A 63 0.277 -4.661 -34.664 1.00 0.00 C ATOM 930 CG GLU A 63 0.557 -4.080 -36.040 1.00 0.00 C ATOM 931 CD GLU A 63 1.177 -2.698 -35.975 1.00 0.00 C ATOM 932 OE1 GLU A 63 0.754 -1.899 -35.113 1.00 0.00 O ATOM 933 OE2 GLU A 63 2.085 -2.415 -36.784 1.00 0.00 O ATOM 0 H GLU A 63 -1.289 -5.381 -32.339 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.234 -3.179 -34.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.069 -4.353 -33.981 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.313 -5.749 -34.724 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.225 -4.748 -36.583 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.374 -4.030 -36.605 1.00 0.00 H new ATOM 940 N LYS A 64 -3.134 -4.321 -35.361 1.00 0.00 N ATOM 941 CA LYS A 64 -4.260 -4.958 -36.034 1.00 0.00 C ATOM 942 C LYS A 64 -5.089 -5.777 -35.050 1.00 0.00 C ATOM 943 O LYS A 64 -5.518 -6.889 -35.360 1.00 0.00 O ATOM 944 CB LYS A 64 -3.761 -5.856 -37.168 1.00 0.00 C ATOM 945 CG LYS A 64 -3.640 -5.141 -38.503 1.00 0.00 C ATOM 946 CD LYS A 64 -2.307 -4.422 -38.631 1.00 0.00 C ATOM 947 CE LYS A 64 -2.389 -2.997 -38.106 1.00 0.00 C ATOM 948 NZ LYS A 64 -1.446 -2.089 -38.816 1.00 0.00 N ATOM 0 H LYS A 64 -3.137 -3.302 -35.407 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.893 -4.174 -36.451 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.788 -6.265 -36.895 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.442 -6.700 -37.278 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.745 -5.862 -39.314 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.453 -4.423 -38.607 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.543 -4.970 -38.080 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.999 -4.408 -39.676 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.407 -2.625 -38.222 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.166 -2.990 -37.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.532 -1.127 -38.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.472 -2.429 -38.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.674 -2.076 -39.831 1.00 0.00 H new ATOM 962 N LEU A 65 -5.313 -5.220 -33.865 1.00 0.00 N ATOM 963 CA LEU A 65 -6.093 -5.899 -32.836 1.00 0.00 C ATOM 964 C LEU A 65 -7.524 -6.139 -33.307 1.00 0.00 C ATOM 965 O LEU A 65 -8.236 -5.201 -33.667 1.00 0.00 O ATOM 966 CB LEU A 65 -6.100 -5.075 -31.547 1.00 0.00 C ATOM 967 CG LEU A 65 -6.141 -5.870 -30.242 1.00 0.00 C ATOM 968 CD1 LEU A 65 -7.473 -6.589 -30.097 1.00 0.00 C ATOM 969 CD2 LEU A 65 -4.988 -6.862 -30.186 1.00 0.00 C ATOM 0 H LEU A 65 -4.966 -4.300 -33.593 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.628 -6.865 -32.640 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.210 -4.445 -31.537 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.962 -4.409 -31.570 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.035 -5.173 -29.410 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.484 -7.150 -29.162 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.282 -5.859 -30.092 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.609 -7.275 -30.933 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.033 -7.419 -29.250 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.063 -7.554 -31.025 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.042 -6.324 -30.243 1.00 0.00 H new ATOM 981 N LYS A 66 -7.940 -7.401 -33.300 1.00 0.00 N ATOM 982 CA LYS A 66 -9.286 -7.765 -33.723 1.00 0.00 C ATOM 983 C LYS A 66 -10.333 -7.132 -32.812 1.00 0.00 C ATOM 984 O LYS A 66 -10.032 -6.742 -31.684 1.00 0.00 O ATOM 985 CB LYS A 66 -9.449 -9.287 -33.724 1.00 0.00 C ATOM 986 CG LYS A 66 -10.483 -9.788 -34.717 1.00 0.00 C ATOM 987 CD LYS A 66 -10.160 -11.193 -35.197 1.00 0.00 C ATOM 988 CE LYS A 66 -10.894 -11.524 -36.487 1.00 0.00 C ATOM 989 NZ LYS A 66 -12.255 -12.070 -36.228 1.00 0.00 N ATOM 0 H LYS A 66 -7.363 -8.189 -33.006 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.435 -7.389 -34.735 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.487 -9.747 -33.951 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.730 -9.614 -32.723 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.469 -9.779 -34.253 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.526 -9.112 -35.571 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.085 -11.287 -35.354 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.433 -11.914 -34.426 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.974 -10.626 -37.100 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.315 -12.249 -37.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.722 -12.283 -37.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.178 -12.941 -35.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.817 -11.368 -35.705 1.00 0.00 H new ATOM 1003 N GLN A 67 -11.562 -7.035 -33.308 1.00 0.00 N ATOM 1004 CA GLN A 67 -12.652 -6.450 -32.537 1.00 0.00 C ATOM 1005 C GLN A 67 -13.746 -7.480 -32.272 1.00 0.00 C ATOM 1006 O GLN A 67 -14.936 -7.174 -32.356 1.00 0.00 O ATOM 1007 CB GLN A 67 -13.238 -5.245 -33.275 1.00 0.00 C ATOM 1008 CG GLN A 67 -13.677 -5.557 -34.697 1.00 0.00 C ATOM 1009 CD GLN A 67 -15.067 -6.159 -34.760 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -16.023 -5.602 -34.219 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -15.187 -7.304 -35.422 1.00 0.00 N ATOM 0 H GLN A 67 -11.828 -7.354 -34.240 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.249 -6.120 -31.579 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.093 -4.867 -32.714 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.495 -4.448 -33.300 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.654 -4.642 -35.289 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.965 -6.247 -35.150 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.368 -7.731 -35.855 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.098 -7.757 -35.497 1.00 0.00 H new ATOM 1020 N THR A 68 -13.335 -8.703 -31.952 1.00 0.00 N ATOM 1021 CA THR A 68 -14.279 -9.779 -31.676 1.00 0.00 C ATOM 1022 C THR A 68 -13.922 -10.506 -30.385 1.00 0.00 C ATOM 1023 O THR A 68 -12.794 -10.412 -29.899 1.00 0.00 O ATOM 1024 CB THR A 68 -14.322 -10.797 -32.831 1.00 0.00 C ATOM 1025 OG1 THR A 68 -13.003 -11.278 -33.110 1.00 0.00 O ATOM 1026 CG2 THR A 68 -14.915 -10.170 -34.084 1.00 0.00 C ATOM 0 H THR A 68 -12.354 -8.973 -31.878 1.00 0.00 H new ATOM 0 HA THR A 68 -15.261 -9.319 -31.570 1.00 0.00 H new ATOM 0 HB THR A 68 -14.955 -11.631 -32.527 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.055 -12.037 -33.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 -14.935 -10.908 -34.886 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.930 -9.832 -33.876 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.305 -9.320 -34.389 1.00 0.00 H new ATOM 1034 N LEU A 69 -14.888 -11.232 -29.834 1.00 0.00 N ATOM 1035 CA LEU A 69 -14.675 -11.977 -28.598 1.00 0.00 C ATOM 1036 C LEU A 69 -15.747 -13.047 -28.416 1.00 0.00 C ATOM 1037 O LEU A 69 -16.917 -12.826 -28.725 1.00 0.00 O ATOM 1038 CB LEU A 69 -14.679 -11.027 -27.399 1.00 0.00 C ATOM 1039 CG LEU A 69 -15.985 -10.274 -27.143 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -16.006 -9.707 -25.732 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -16.170 -9.164 -28.168 1.00 0.00 C ATOM 0 H LEU A 69 -15.827 -11.321 -30.223 1.00 0.00 H new ATOM 0 HA LEU A 69 -13.704 -12.468 -28.662 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.433 -11.601 -26.506 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.883 -10.296 -27.538 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.813 -10.976 -27.243 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.943 -9.174 -25.568 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.920 -10.521 -25.012 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.170 -9.019 -25.604 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.104 -8.639 -27.971 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.338 -8.463 -28.099 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.200 -9.594 -29.169 1.00 0.00 H new ATOM 1053 N GLU A 70 -15.338 -14.206 -27.910 1.00 0.00 N ATOM 1054 CA GLU A 70 -16.264 -15.310 -27.685 1.00 0.00 C ATOM 1055 C GLU A 70 -16.424 -15.592 -26.194 1.00 0.00 C ATOM 1056 O GLU A 70 -15.450 -15.585 -25.443 1.00 0.00 O ATOM 1057 CB GLU A 70 -15.775 -16.570 -28.404 1.00 0.00 C ATOM 1058 CG GLU A 70 -16.565 -17.818 -28.049 1.00 0.00 C ATOM 1059 CD GLU A 70 -16.588 -18.834 -29.174 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -15.603 -19.589 -29.311 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -17.590 -18.873 -29.918 1.00 0.00 O ATOM 0 H GLU A 70 -14.372 -14.405 -27.648 1.00 0.00 H new ATOM 0 HA GLU A 70 -17.235 -15.023 -28.089 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.831 -16.409 -29.481 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.725 -16.733 -28.160 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.133 -18.276 -27.160 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.588 -17.537 -27.798 1.00 0.00 H new ATOM 1068 N MET A 71 -17.660 -15.838 -25.774 1.00 0.00 N ATOM 1069 CA MET A 71 -17.948 -16.123 -24.373 1.00 0.00 C ATOM 1070 C MET A 71 -19.167 -17.030 -24.242 1.00 0.00 C ATOM 1071 O MET A 71 -20.104 -16.945 -25.034 1.00 0.00 O ATOM 1072 CB MET A 71 -18.183 -14.821 -23.604 1.00 0.00 C ATOM 1073 CG MET A 71 -16.901 -14.077 -23.263 1.00 0.00 C ATOM 1074 SD MET A 71 -17.196 -12.610 -22.258 1.00 0.00 S ATOM 1075 CE MET A 71 -17.908 -11.504 -23.473 1.00 0.00 C ATOM 0 H MET A 71 -18.478 -15.846 -26.383 1.00 0.00 H new ATOM 0 HA MET A 71 -17.086 -16.638 -23.948 1.00 0.00 H new ATOM 0 HB2 MET A 71 -18.825 -14.169 -24.197 1.00 0.00 H new ATOM 0 HB3 MET A 71 -18.720 -15.045 -22.682 1.00 0.00 H new ATOM 0 HG2 MET A 71 -16.227 -14.748 -22.731 1.00 0.00 H new ATOM 0 HG3 MET A 71 -16.398 -13.786 -24.185 1.00 0.00 H new ATOM 0 HE1 MET A 71 -17.480 -10.509 -23.354 1.00 0.00 H new ATOM 0 HE2 MET A 71 -17.690 -11.875 -24.475 1.00 0.00 H new ATOM 0 HE3 MET A 71 -18.988 -11.454 -23.331 1.00 0.00 H new ATOM 1085 N ASN A 72 -19.146 -17.900 -23.237 1.00 0.00 N ATOM 1086 CA ASN A 72 -20.250 -18.824 -23.003 1.00 0.00 C ATOM 1087 C ASN A 72 -20.526 -18.975 -21.510 1.00 0.00 C ATOM 1088 O ASN A 72 -19.737 -18.534 -20.673 1.00 0.00 O ATOM 1089 CB ASN A 72 -19.936 -20.191 -23.615 1.00 0.00 C ATOM 1090 CG ASN A 72 -18.873 -20.943 -22.838 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -18.263 -20.401 -21.916 1.00 0.00 O ATOM 1092 ND2 ASN A 72 -18.647 -22.198 -23.207 1.00 0.00 N ATOM 0 H ASN A 72 -18.377 -17.984 -22.572 1.00 0.00 H new ATOM 0 HA ASN A 72 -21.141 -18.415 -23.480 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -20.847 -20.788 -23.650 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -19.603 -20.057 -24.644 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.944 -22.754 -22.720 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -19.177 -22.606 -23.977 1.00 0.00 H new ATOM 1099 N LEU A 73 -21.651 -19.602 -21.183 1.00 0.00 N ATOM 1100 CA LEU A 73 -22.032 -19.812 -19.790 1.00 0.00 C ATOM 1101 C LEU A 73 -21.082 -20.791 -19.107 1.00 0.00 C ATOM 1102 O LEU A 73 -20.684 -21.799 -19.693 1.00 0.00 O ATOM 1103 CB LEU A 73 -23.467 -20.335 -19.707 1.00 0.00 C ATOM 1104 CG LEU A 73 -23.781 -21.571 -20.551 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -23.450 -22.841 -19.781 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -25.242 -21.569 -20.977 1.00 0.00 C ATOM 0 H LEU A 73 -22.315 -19.974 -21.863 1.00 0.00 H new ATOM 0 HA LEU A 73 -21.970 -18.854 -19.274 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -23.689 -20.565 -18.665 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -24.142 -19.534 -20.007 1.00 0.00 H new ATOM 0 HG LEU A 73 -23.162 -21.542 -21.448 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -23.680 -23.710 -20.397 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -22.390 -22.846 -19.527 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -24.043 -22.877 -18.867 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -25.447 -22.456 -21.577 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -25.879 -21.574 -20.092 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -25.448 -20.676 -21.567 1.00 0.00 H new ATOM 1118 N THR A 74 -20.723 -20.489 -17.864 1.00 0.00 N ATOM 1119 CA THR A 74 -19.821 -21.342 -17.100 1.00 0.00 C ATOM 1120 C THR A 74 -20.271 -21.457 -15.648 1.00 0.00 C ATOM 1121 O THR A 74 -20.124 -20.519 -14.867 1.00 0.00 O ATOM 1122 CB THR A 74 -18.376 -20.807 -17.137 1.00 0.00 C ATOM 1123 OG1 THR A 74 -18.349 -19.440 -16.711 1.00 0.00 O ATOM 1124 CG2 THR A 74 -17.794 -20.918 -18.538 1.00 0.00 C ATOM 0 H THR A 74 -21.043 -19.659 -17.364 1.00 0.00 H new ATOM 0 HA THR A 74 -19.848 -22.327 -17.565 1.00 0.00 H new ATOM 0 HB THR A 74 -17.771 -21.410 -16.460 1.00 0.00 H new ATOM 0 HG1 THR A 74 -18.942 -19.326 -15.939 1.00 0.00 H new ATOM 0 HG21 THR A 74 -16.774 -20.534 -18.540 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.789 -21.963 -18.848 1.00 0.00 H new ATOM 0 HG23 THR A 74 -18.401 -20.336 -19.231 1.00 0.00 H new ATOM 1132 N ASN A 75 -20.818 -22.615 -15.294 1.00 0.00 N ATOM 1133 CA ASN A 75 -21.289 -22.854 -13.935 1.00 0.00 C ATOM 1134 C ASN A 75 -20.126 -23.187 -13.006 1.00 0.00 C ATOM 1135 O ASN A 75 -18.965 -23.172 -13.417 1.00 0.00 O ATOM 1136 CB ASN A 75 -22.311 -23.993 -13.919 1.00 0.00 C ATOM 1137 CG ASN A 75 -23.723 -23.506 -14.182 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -24.602 -23.628 -13.329 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -23.946 -22.952 -15.368 1.00 0.00 N ATOM 0 H ASN A 75 -20.946 -23.403 -15.929 1.00 0.00 H new ATOM 0 HA ASN A 75 -21.766 -21.941 -13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -22.039 -24.733 -14.672 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -22.277 -24.495 -12.952 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -24.877 -22.607 -15.603 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -23.187 -22.872 -16.044 1.00 0.00 H new ATOM 1146 N LEU A 76 -20.444 -23.488 -11.752 1.00 0.00 N ATOM 1147 CA LEU A 76 -19.426 -23.825 -10.763 1.00 0.00 C ATOM 1148 C LEU A 76 -18.296 -24.629 -11.399 1.00 0.00 C ATOM 1149 O LEU A 76 -18.506 -25.352 -12.373 1.00 0.00 O ATOM 1150 CB LEU A 76 -20.047 -24.619 -9.613 1.00 0.00 C ATOM 1151 CG LEU A 76 -19.064 -25.285 -8.649 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -18.352 -24.239 -7.806 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -19.785 -26.289 -7.761 1.00 0.00 C ATOM 0 H LEU A 76 -21.400 -23.506 -11.396 1.00 0.00 H new ATOM 0 HA LEU A 76 -19.012 -22.896 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -20.689 -23.949 -9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -20.689 -25.391 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.316 -25.820 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -17.657 -24.731 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.803 -23.559 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.086 -23.676 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.070 -26.753 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -20.555 -25.777 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -20.247 -27.057 -8.381 1.00 0.00 H new ATOM 1165 N VAL A 77 -17.097 -24.499 -10.840 1.00 0.00 N ATOM 1166 CA VAL A 77 -15.934 -25.215 -11.350 1.00 0.00 C ATOM 1167 C VAL A 77 -15.933 -26.666 -10.881 1.00 0.00 C ATOM 1168 O VAL A 77 -15.947 -26.942 -9.681 1.00 0.00 O ATOM 1169 CB VAL A 77 -14.621 -24.543 -10.905 1.00 0.00 C ATOM 1170 CG1 VAL A 77 -14.613 -24.331 -9.399 1.00 0.00 C ATOM 1171 CG2 VAL A 77 -13.423 -25.372 -11.342 1.00 0.00 C ATOM 0 H VAL A 77 -16.906 -23.904 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.997 -25.187 -12.438 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.552 -23.567 -11.385 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.678 -23.855 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.450 -23.692 -9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.705 -25.293 -8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.504 -24.882 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -13.483 -26.363 -10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.422 -25.466 -12.428 1.00 0.00 H new ATOM 1181 N LYS A 78 -15.915 -27.590 -11.835 1.00 0.00 N ATOM 1182 CA LYS A 78 -15.911 -29.014 -11.521 1.00 0.00 C ATOM 1183 C LYS A 78 -15.139 -29.801 -12.576 1.00 0.00 C ATOM 1184 O LYS A 78 -14.694 -29.242 -13.579 1.00 0.00 O ATOM 1185 CB LYS A 78 -17.344 -29.541 -11.424 1.00 0.00 C ATOM 1186 CG LYS A 78 -17.950 -29.403 -10.038 1.00 0.00 C ATOM 1187 CD LYS A 78 -19.004 -30.467 -9.782 1.00 0.00 C ATOM 1188 CE LYS A 78 -18.372 -31.819 -9.488 1.00 0.00 C ATOM 1189 NZ LYS A 78 -17.694 -31.837 -8.162 1.00 0.00 N ATOM 0 H LYS A 78 -15.903 -27.378 -12.833 1.00 0.00 H new ATOM 0 HA LYS A 78 -15.416 -29.147 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.968 -29.006 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.356 -30.592 -11.714 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -17.164 -29.480 -9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -18.396 -28.414 -9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -19.629 -30.166 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -19.657 -30.551 -10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -19.140 -32.592 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.650 -32.060 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.531 -32.821 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.783 -31.341 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.294 -31.361 -7.459 1.00 0.00 H new ATOM 1203 N SER A 79 -14.986 -31.101 -12.344 1.00 0.00 N ATOM 1204 CA SER A 79 -14.267 -31.964 -13.273 1.00 0.00 C ATOM 1205 C SER A 79 -14.932 -31.958 -14.646 1.00 0.00 C ATOM 1206 O SER A 79 -16.067 -32.406 -14.800 1.00 0.00 O ATOM 1207 CB SER A 79 -14.204 -33.393 -12.731 1.00 0.00 C ATOM 1208 OG SER A 79 -15.501 -33.889 -12.449 1.00 0.00 O ATOM 0 H SER A 79 -15.351 -31.579 -11.520 1.00 0.00 H new ATOM 0 HA SER A 79 -13.253 -31.578 -13.378 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.714 -34.040 -13.459 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.598 -33.415 -11.825 1.00 0.00 H new ATOM 0 HG SER A 79 -16.126 -33.580 -13.137 1.00 0.00 H new ATOM 1214 N GLY A 80 -14.215 -31.446 -15.642 1.00 0.00 N ATOM 1215 CA GLY A 80 -14.751 -31.390 -16.990 1.00 0.00 C ATOM 1216 C GLY A 80 -13.700 -31.018 -18.017 1.00 0.00 C ATOM 1217 O GLY A 80 -12.830 -30.182 -17.771 1.00 0.00 O ATOM 0 H GLY A 80 -13.273 -31.069 -15.540 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.180 -32.358 -17.248 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.562 -30.663 -17.025 1.00 0.00 H new ATOM 1221 N PRO A 81 -13.773 -31.648 -19.198 1.00 0.00 N ATOM 1222 CA PRO A 81 -12.827 -31.395 -20.290 1.00 0.00 C ATOM 1223 C PRO A 81 -13.009 -30.012 -20.905 1.00 0.00 C ATOM 1224 O PRO A 81 -13.804 -29.207 -20.422 1.00 0.00 O ATOM 1225 CB PRO A 81 -13.165 -32.484 -21.311 1.00 0.00 C ATOM 1226 CG PRO A 81 -14.590 -32.827 -21.042 1.00 0.00 C ATOM 1227 CD PRO A 81 -14.784 -32.655 -19.561 1.00 0.00 C ATOM 0 HA PRO A 81 -11.792 -31.419 -19.948 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.030 -32.125 -22.331 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.519 -33.354 -21.191 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.261 -32.175 -21.602 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.810 -33.850 -21.348 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -15.792 -32.315 -19.325 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.629 -33.591 -19.024 1.00 0.00 H new ATOM 1235 N SER A 82 -12.266 -29.743 -21.975 1.00 0.00 N ATOM 1236 CA SER A 82 -12.343 -28.456 -22.655 1.00 0.00 C ATOM 1237 C SER A 82 -11.636 -28.511 -24.006 1.00 0.00 C ATOM 1238 O SER A 82 -10.996 -29.507 -24.343 1.00 0.00 O ATOM 1239 CB SER A 82 -11.724 -27.359 -21.787 1.00 0.00 C ATOM 1240 OG SER A 82 -10.400 -27.694 -21.409 1.00 0.00 O ATOM 0 H SER A 82 -11.604 -30.400 -22.389 1.00 0.00 H new ATOM 0 HA SER A 82 -13.395 -28.225 -22.825 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.722 -26.416 -22.334 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.333 -27.209 -20.896 1.00 0.00 H new ATOM 0 HG SER A 82 -10.026 -26.976 -20.856 1.00 0.00 H new ATOM 1246 N SER A 83 -11.757 -27.434 -24.775 1.00 0.00 N ATOM 1247 CA SER A 83 -11.133 -27.360 -26.090 1.00 0.00 C ATOM 1248 C SER A 83 -11.181 -25.936 -26.636 1.00 0.00 C ATOM 1249 O SER A 83 -11.725 -25.034 -26.000 1.00 0.00 O ATOM 1250 CB SER A 83 -11.829 -28.315 -27.063 1.00 0.00 C ATOM 1251 OG SER A 83 -13.168 -27.916 -27.298 1.00 0.00 O ATOM 0 H SER A 83 -12.282 -26.601 -24.510 1.00 0.00 H new ATOM 0 HA SER A 83 -10.089 -27.655 -25.986 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.283 -28.340 -28.006 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.813 -29.327 -26.658 1.00 0.00 H new ATOM 0 HG SER A 83 -13.590 -28.541 -27.924 1.00 0.00 H new ATOM 1257 N GLY A 84 -10.607 -25.743 -27.819 1.00 0.00 N ATOM 1258 CA GLY A 84 -10.595 -24.427 -28.431 1.00 0.00 C ATOM 1259 C GLY A 84 -10.939 -24.470 -29.907 1.00 0.00 C ATOM 1260 O GLY A 84 -11.788 -25.268 -30.301 1.00 0.00 O ATOM 0 H GLY A 84 -10.150 -26.474 -28.365 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.306 -23.783 -27.914 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.609 -23.980 -28.304 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.951 -0.754 -7.940 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.751 1.532 -4.817 1.00 0.00 ZN