USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 849 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 46 SER OG : rot -175:sc= -0.691 USER MOD Set 1.2: A 94 ASN : amide:sc= -1.05 K(o=-1.7,f=-9.8!) USER MOD Set 2.1: A 84 MET CE :methyl -117:sc= -0.424 (180deg=-3.45!) USER MOD Set 2.2: A 86 CYS SG : rot 95:sc= -2.81! USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= -0.0219 F(o=-2.1,f=-0.091) USER MOD Set 3.2: A 69 MET CE :methyl -158:sc= -0.069 (180deg=0) USER MOD Set 4.1: A 68 TYR OH : rot 18:sc= -0.692 USER MOD Set 4.2: A 72 GLN : amide:sc= -0.128 K(o=-0.82,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0886 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -7:sc= 0.829 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -100:sc= -0.0716 USER MOD Single : A 22 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.45) USER MOD Single : A 28 ASN : amide:sc= -0.687 K(o=-0.69,f=-3.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.911 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0877) USER MOD Single : A 32 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : A 33 SER OG : rot -110:sc= -0.132 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.789 USER MOD Single : A 37 GLN : amide:sc= -0.948 K(o=-0.95,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0559 K(o=-0.056,f=-1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.94 K(o=-2.9,f=-9.3!) USER MOD Single : A 65 CYS SG : rot -153:sc= 0.0455 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 67 CYS SG : rot 115:sc= -0.811! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 151:sc=-0.00019 (180deg=-0.874) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.97 F(o=-3!,f=-2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -147:sc= 0.803 USER MOD Single : A 96 TYR OH : rot 30:sc=-0.00692 USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.68 USER MOD Single : A 99 SER OG : rot -66:sc= 0.139 USER MOD Single : A 102 SER OG : rot 120:sc= 0.421 USER MOD Single : A 107 TYR OH : rot 164:sc= -0.583 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -167:sc= 0.949 USER MOD Single : A 110 SER OG : rot 97:sc= 1.18 USER MOD Single : A 112 CYS SG : rot -54:sc= 0.0145 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.887 37.926 -0.537 1.00 0.00 N ATOM 2 CA GLY A 1 -34.521 37.541 -0.839 1.00 0.00 C ATOM 3 C GLY A 1 -33.506 38.529 -0.298 1.00 0.00 C ATOM 4 O GLY A 1 -33.868 39.614 0.157 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.313 37.223 0.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.891 38.859 -0.077 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.437 37.973 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.323 36.555 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.401 37.457 -1.919 1.00 0.00 H new ATOM 8 N SER A 2 -32.232 38.152 -0.345 1.00 0.00 N ATOM 9 CA SER A 2 -31.163 39.011 0.150 1.00 0.00 C ATOM 10 C SER A 2 -29.796 38.442 -0.218 1.00 0.00 C ATOM 11 O SER A 2 -29.665 37.256 -0.520 1.00 0.00 O ATOM 12 CB SER A 2 -31.270 39.172 1.667 1.00 0.00 C ATOM 13 OG SER A 2 -31.037 37.940 2.328 1.00 0.00 O ATOM 0 H SER A 2 -31.915 37.258 -0.721 1.00 0.00 H new ATOM 0 HA SER A 2 -31.269 39.989 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.548 39.914 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.260 39.546 1.927 1.00 0.00 H new ATOM 0 HG SER A 2 -31.109 38.070 3.297 1.00 0.00 H new ATOM 19 N SER A 3 -28.779 39.298 -0.190 1.00 0.00 N ATOM 20 CA SER A 3 -27.421 38.883 -0.523 1.00 0.00 C ATOM 21 C SER A 3 -26.406 39.551 0.400 1.00 0.00 C ATOM 22 O SER A 3 -26.748 40.445 1.173 1.00 0.00 O ATOM 23 CB SER A 3 -27.104 39.224 -1.980 1.00 0.00 C ATOM 24 OG SER A 3 -27.491 38.171 -2.847 1.00 0.00 O ATOM 0 H SER A 3 -28.870 40.283 0.060 1.00 0.00 H new ATOM 0 HA SER A 3 -27.354 37.804 -0.387 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.621 40.141 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.036 39.414 -2.088 1.00 0.00 H new ATOM 0 HG SER A 3 -27.279 38.415 -3.772 1.00 0.00 H new ATOM 30 N GLY A 4 -25.155 39.109 0.312 1.00 0.00 N ATOM 31 CA GLY A 4 -24.109 39.675 1.144 1.00 0.00 C ATOM 32 C GLY A 4 -23.037 38.663 1.495 1.00 0.00 C ATOM 33 O GLY A 4 -23.019 38.125 2.602 1.00 0.00 O ATOM 0 H GLY A 4 -24.847 38.370 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.653 40.518 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.550 40.066 2.061 1.00 0.00 H new ATOM 37 N SER A 5 -22.141 38.400 0.548 1.00 0.00 N ATOM 38 CA SER A 5 -21.063 37.441 0.761 1.00 0.00 C ATOM 39 C SER A 5 -19.913 37.693 -0.210 1.00 0.00 C ATOM 40 O SER A 5 -20.129 37.915 -1.401 1.00 0.00 O ATOM 41 CB SER A 5 -21.583 36.012 0.593 1.00 0.00 C ATOM 42 OG SER A 5 -22.534 35.694 1.596 1.00 0.00 O ATOM 0 H SER A 5 -22.141 38.837 -0.373 1.00 0.00 H new ATOM 0 HA SER A 5 -20.692 37.568 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.037 35.900 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.750 35.310 0.641 1.00 0.00 H new ATOM 0 HG SER A 5 -22.570 36.419 2.254 1.00 0.00 H new ATOM 48 N SER A 6 -18.690 37.655 0.310 1.00 0.00 N ATOM 49 CA SER A 6 -17.505 37.883 -0.509 1.00 0.00 C ATOM 50 C SER A 6 -16.725 36.587 -0.707 1.00 0.00 C ATOM 51 O SER A 6 -17.074 35.548 -0.150 1.00 0.00 O ATOM 52 CB SER A 6 -16.607 38.938 0.140 1.00 0.00 C ATOM 53 OG SER A 6 -15.620 39.396 -0.769 1.00 0.00 O ATOM 0 H SER A 6 -18.494 37.469 1.294 1.00 0.00 H new ATOM 0 HA SER A 6 -17.831 38.244 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.213 39.779 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.126 38.517 1.023 1.00 0.00 H new ATOM 0 HG SER A 6 -15.060 40.071 -0.331 1.00 0.00 H new ATOM 59 N GLY A 7 -15.665 36.658 -1.507 1.00 0.00 N ATOM 60 CA GLY A 7 -14.851 35.485 -1.766 1.00 0.00 C ATOM 61 C GLY A 7 -13.460 35.602 -1.175 1.00 0.00 C ATOM 62 O GLY A 7 -12.488 35.817 -1.899 1.00 0.00 O ATOM 0 H GLY A 7 -15.356 37.507 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.345 34.605 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.773 35.331 -2.842 1.00 0.00 H new ATOM 66 N ALA A 8 -13.365 35.463 0.143 1.00 0.00 N ATOM 67 CA ALA A 8 -12.082 35.555 0.830 1.00 0.00 C ATOM 68 C ALA A 8 -11.433 34.181 0.966 1.00 0.00 C ATOM 69 O ALA A 8 -11.664 33.471 1.944 1.00 0.00 O ATOM 70 CB ALA A 8 -12.262 36.194 2.199 1.00 0.00 C ATOM 0 H ALA A 8 -14.161 35.286 0.756 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.421 36.183 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.297 36.257 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.676 37.196 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.943 35.588 2.797 1.00 0.00 H new ATOM 76 N GLU A 9 -10.622 33.815 -0.021 1.00 0.00 N ATOM 77 CA GLU A 9 -9.941 32.525 -0.010 1.00 0.00 C ATOM 78 C GLU A 9 -8.440 32.704 0.193 1.00 0.00 C ATOM 79 O GLU A 9 -7.839 33.644 -0.330 1.00 0.00 O ATOM 80 CB GLU A 9 -10.204 31.774 -1.317 1.00 0.00 C ATOM 81 CG GLU A 9 -9.530 32.402 -2.526 1.00 0.00 C ATOM 82 CD GLU A 9 -9.760 31.610 -3.799 1.00 0.00 C ATOM 83 OE1 GLU A 9 -9.110 30.558 -3.967 1.00 0.00 O ATOM 84 OE2 GLU A 9 -10.590 32.043 -4.626 1.00 0.00 O ATOM 0 H GLU A 9 -10.420 34.392 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.335 31.942 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.858 30.746 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.279 31.732 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.906 33.416 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.459 32.481 -2.340 1.00 0.00 H new ATOM 91 N ILE A 10 -7.840 31.797 0.957 1.00 0.00 N ATOM 92 CA ILE A 10 -6.409 31.854 1.230 1.00 0.00 C ATOM 93 C ILE A 10 -5.617 31.101 0.167 1.00 0.00 C ATOM 94 O ILE A 10 -6.029 30.035 -0.291 1.00 0.00 O ATOM 95 CB ILE A 10 -6.076 31.268 2.614 1.00 0.00 C ATOM 96 CG1 ILE A 10 -6.904 31.961 3.698 1.00 0.00 C ATOM 97 CG2 ILE A 10 -4.589 31.409 2.905 1.00 0.00 C ATOM 98 CD1 ILE A 10 -6.480 33.389 3.963 1.00 0.00 C ATOM 0 H ILE A 10 -8.323 31.014 1.398 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.126 32.906 1.213 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.328 30.207 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.954 31.951 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.827 31.390 4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.369 30.990 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.017 30.874 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.314 32.464 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.110 33.817 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.440 33.405 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.584 33.975 3.050 1.00 0.00 H new ATOM 110 N PHE A 11 -4.475 31.661 -0.220 1.00 0.00 N ATOM 111 CA PHE A 11 -3.623 31.041 -1.229 1.00 0.00 C ATOM 112 C PHE A 11 -2.907 29.820 -0.660 1.00 0.00 C ATOM 113 O PHE A 11 -1.744 29.896 -0.263 1.00 0.00 O ATOM 114 CB PHE A 11 -2.598 32.050 -1.751 1.00 0.00 C ATOM 115 CG PHE A 11 -1.524 31.430 -2.598 1.00 0.00 C ATOM 116 CD1 PHE A 11 -1.813 30.951 -3.866 1.00 0.00 C ATOM 117 CD2 PHE A 11 -0.226 31.326 -2.126 1.00 0.00 C ATOM 118 CE1 PHE A 11 -0.827 30.380 -4.646 1.00 0.00 C ATOM 119 CE2 PHE A 11 0.765 30.755 -2.903 1.00 0.00 C ATOM 120 CZ PHE A 11 0.465 30.282 -4.165 1.00 0.00 C ATOM 0 H PHE A 11 -4.118 32.542 0.150 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.257 30.717 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.115 32.812 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.135 32.556 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.820 31.025 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.015 31.695 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.065 30.010 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.773 30.679 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.238 29.837 -4.774 1.00 0.00 H new ATOM 130 N THR A 12 -3.611 28.692 -0.623 1.00 0.00 N ATOM 131 CA THR A 12 -3.045 27.455 -0.102 1.00 0.00 C ATOM 132 C THR A 12 -2.891 26.413 -1.204 1.00 0.00 C ATOM 133 O THR A 12 -3.698 26.352 -2.132 1.00 0.00 O ATOM 134 CB THR A 12 -3.917 26.869 1.024 1.00 0.00 C ATOM 135 OG1 THR A 12 -5.298 26.920 0.651 1.00 0.00 O ATOM 136 CG2 THR A 12 -3.709 27.632 2.323 1.00 0.00 C ATOM 0 H THR A 12 -4.574 28.611 -0.948 1.00 0.00 H new ATOM 0 HA THR A 12 -2.063 27.702 0.300 1.00 0.00 H new ATOM 0 HB THR A 12 -3.621 25.832 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.846 26.544 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.335 27.200 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.662 27.566 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.980 28.678 2.178 1.00 0.00 H new ATOM 144 N THR A 13 -1.850 25.594 -1.097 1.00 0.00 N ATOM 145 CA THR A 13 -1.590 24.555 -2.085 1.00 0.00 C ATOM 146 C THR A 13 -1.563 23.175 -1.438 1.00 0.00 C ATOM 147 O THR A 13 -1.323 23.046 -0.237 1.00 0.00 O ATOM 148 CB THR A 13 -0.254 24.793 -2.814 1.00 0.00 C ATOM 149 OG1 THR A 13 -0.147 26.167 -3.203 1.00 0.00 O ATOM 150 CG2 THR A 13 -0.140 23.903 -4.042 1.00 0.00 C ATOM 0 H THR A 13 -1.173 25.630 -0.335 1.00 0.00 H new ATOM 0 HA THR A 13 -2.403 24.598 -2.809 1.00 0.00 H new ATOM 0 HB THR A 13 0.557 24.545 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.706 26.311 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.812 24.090 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.192 22.857 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.958 24.124 -4.728 1.00 0.00 H new ATOM 158 N LEU A 14 -1.811 22.145 -2.241 1.00 0.00 N ATOM 159 CA LEU A 14 -1.814 20.773 -1.746 1.00 0.00 C ATOM 160 C LEU A 14 -0.423 20.155 -1.845 1.00 0.00 C ATOM 161 O LEU A 14 -0.275 18.993 -2.223 1.00 0.00 O ATOM 162 CB LEU A 14 -2.818 19.929 -2.533 1.00 0.00 C ATOM 163 CG LEU A 14 -4.277 20.034 -2.090 1.00 0.00 C ATOM 164 CD1 LEU A 14 -4.526 19.168 -0.864 1.00 0.00 C ATOM 165 CD2 LEU A 14 -4.645 21.482 -1.805 1.00 0.00 C ATOM 0 H LEU A 14 -2.012 22.234 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.108 20.792 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.757 20.214 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.514 18.884 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.910 19.672 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.570 19.255 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.303 18.128 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.884 19.500 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.687 21.537 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.006 21.871 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.506 22.077 -2.708 1.00 0.00 H new ATOM 177 N SER A 15 0.593 20.939 -1.501 1.00 0.00 N ATOM 178 CA SER A 15 1.973 20.469 -1.553 1.00 0.00 C ATOM 179 C SER A 15 2.480 20.117 -0.157 1.00 0.00 C ATOM 180 O SER A 15 3.361 20.787 0.382 1.00 0.00 O ATOM 181 CB SER A 15 2.873 21.534 -2.181 1.00 0.00 C ATOM 182 OG SER A 15 2.629 21.652 -3.572 1.00 0.00 O ATOM 0 H SER A 15 0.487 21.902 -1.183 1.00 0.00 H new ATOM 0 HA SER A 15 2.002 19.570 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.699 22.494 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.919 21.276 -2.013 1.00 0.00 H new ATOM 0 HG SER A 15 3.215 22.340 -3.950 1.00 0.00 H new ATOM 188 N CYS A 16 1.917 19.062 0.421 1.00 0.00 N ATOM 189 CA CYS A 16 2.310 18.620 1.754 1.00 0.00 C ATOM 190 C CYS A 16 2.569 17.118 1.774 1.00 0.00 C ATOM 191 O CYS A 16 3.519 16.651 2.401 1.00 0.00 O ATOM 192 CB CYS A 16 1.226 18.977 2.773 1.00 0.00 C ATOM 193 SG CYS A 16 1.739 18.782 4.495 1.00 0.00 S ATOM 0 H CYS A 16 1.187 18.497 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 16 3.233 19.133 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.917 20.010 2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.352 18.351 2.592 1.00 0.00 H new ATOM 0 HG CYS A 16 1.285 17.655 4.958 1.00 0.00 H new ATOM 199 N GLU A 17 1.716 16.366 1.086 1.00 0.00 N ATOM 200 CA GLU A 17 1.852 14.915 1.028 1.00 0.00 C ATOM 201 C GLU A 17 1.068 14.342 -0.149 1.00 0.00 C ATOM 202 O GLU A 17 -0.004 14.829 -0.510 1.00 0.00 O ATOM 203 CB GLU A 17 1.368 14.282 2.334 1.00 0.00 C ATOM 204 CG GLU A 17 -0.133 14.395 2.545 1.00 0.00 C ATOM 205 CD GLU A 17 -0.541 15.732 3.131 1.00 0.00 C ATOM 206 OE1 GLU A 17 0.282 16.343 3.845 1.00 0.00 O ATOM 207 OE2 GLU A 17 -1.683 16.169 2.875 1.00 0.00 O ATOM 0 H GLU A 17 0.924 16.737 0.561 1.00 0.00 H new ATOM 0 HA GLU A 17 2.907 14.680 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.650 13.229 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.881 14.757 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.642 14.250 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.464 13.596 3.208 1.00 0.00 H new ATOM 214 N PRO A 18 1.614 13.282 -0.764 1.00 0.00 N ATOM 215 CA PRO A 18 0.983 12.619 -1.909 1.00 0.00 C ATOM 216 C PRO A 18 -0.282 11.863 -1.517 1.00 0.00 C ATOM 217 O PRO A 18 -0.620 11.771 -0.337 1.00 0.00 O ATOM 218 CB PRO A 18 2.060 11.645 -2.392 1.00 0.00 C ATOM 219 CG PRO A 18 2.896 11.376 -1.188 1.00 0.00 C ATOM 220 CD PRO A 18 2.889 12.649 -0.387 1.00 0.00 C ATOM 0 HA PRO A 18 0.663 13.333 -2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.618 10.727 -2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.653 12.078 -3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.490 10.547 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.911 11.099 -1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.938 12.450 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.741 13.283 -0.633 1.00 0.00 H new ATOM 228 N ASP A 19 -0.976 11.324 -2.513 1.00 0.00 N ATOM 229 CA ASP A 19 -2.203 10.574 -2.271 1.00 0.00 C ATOM 230 C ASP A 19 -1.895 9.203 -1.679 1.00 0.00 C ATOM 231 O ASP A 19 -0.769 8.713 -1.776 1.00 0.00 O ATOM 232 CB ASP A 19 -2.994 10.416 -3.571 1.00 0.00 C ATOM 233 CG ASP A 19 -4.238 9.569 -3.392 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.124 8.327 -3.448 1.00 0.00 O ATOM 235 OD2 ASP A 19 -5.327 10.149 -3.197 1.00 0.00 O ATOM 0 H ASP A 19 -0.710 11.392 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.805 11.132 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.279 11.401 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.355 9.963 -4.329 1.00 0.00 H new ATOM 240 N ILE A 20 -2.901 8.590 -1.065 1.00 0.00 N ATOM 241 CA ILE A 20 -2.736 7.275 -0.457 1.00 0.00 C ATOM 242 C ILE A 20 -2.830 6.170 -1.503 1.00 0.00 C ATOM 243 O ILE A 20 -3.872 5.953 -2.122 1.00 0.00 O ATOM 244 CB ILE A 20 -3.793 7.024 0.635 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.717 8.110 1.710 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.600 5.646 1.252 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.940 8.170 2.597 1.00 0.00 C ATOM 0 H ILE A 20 -3.838 8.982 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.745 7.259 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.782 7.061 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.837 7.935 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.580 9.078 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.354 5.483 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.700 4.884 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.607 5.583 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.816 8.962 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.821 8.376 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.066 7.215 3.108 1.00 0.00 H new ATOM 259 N PRO A 21 -1.715 5.452 -1.706 1.00 0.00 N ATOM 260 CA PRO A 21 -1.647 4.354 -2.676 1.00 0.00 C ATOM 261 C PRO A 21 -2.465 3.144 -2.241 1.00 0.00 C ATOM 262 O PRO A 21 -2.457 2.766 -1.070 1.00 0.00 O ATOM 263 CB PRO A 21 -0.156 4.007 -2.714 1.00 0.00 C ATOM 264 CG PRO A 21 0.368 4.445 -1.389 1.00 0.00 C ATOM 265 CD PRO A 21 -0.437 5.655 -1.005 1.00 0.00 C ATOM 0 HA PRO A 21 -2.057 4.640 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.002 2.939 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.350 4.523 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.262 3.654 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.429 4.685 -1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.577 5.719 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.051 6.578 -1.318 1.00 0.00 H new ATOM 273 N ASN A 22 -3.170 2.539 -3.191 1.00 0.00 N ATOM 274 CA ASN A 22 -3.994 1.370 -2.905 1.00 0.00 C ATOM 275 C ASN A 22 -3.208 0.332 -2.109 1.00 0.00 C ATOM 276 O ASN A 22 -1.977 0.317 -2.106 1.00 0.00 O ATOM 277 CB ASN A 22 -4.506 0.750 -4.206 1.00 0.00 C ATOM 278 CG ASN A 22 -3.492 0.843 -5.330 1.00 0.00 C ATOM 279 OD1 ASN A 22 -2.343 0.427 -5.180 1.00 0.00 O ATOM 280 ND2 ASN A 22 -3.913 1.392 -6.463 1.00 0.00 N ATOM 0 H ASN A 22 -3.187 2.839 -4.166 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.845 1.694 -2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.757 -0.296 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.425 1.252 -4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.275 1.483 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.874 1.723 -6.543 1.00 0.00 H new ATOM 287 N PRO A 23 -3.935 -0.558 -1.418 1.00 0.00 N ATOM 288 CA PRO A 23 -3.327 -1.617 -0.607 1.00 0.00 C ATOM 289 C PRO A 23 -2.651 -2.685 -1.460 1.00 0.00 C ATOM 290 O PRO A 23 -3.092 -3.004 -2.564 1.00 0.00 O ATOM 291 CB PRO A 23 -4.518 -2.212 0.149 1.00 0.00 C ATOM 292 CG PRO A 23 -5.698 -1.916 -0.710 1.00 0.00 C ATOM 293 CD PRO A 23 -5.406 -0.600 -1.376 1.00 0.00 C ATOM 0 HA PRO A 23 -2.541 -1.232 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.396 -3.285 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.625 -1.763 1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.849 -2.702 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.609 -1.858 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.838 -0.551 -2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.816 0.237 -0.810 1.00 0.00 H new ATOM 301 N PRO A 24 -1.553 -3.252 -0.938 1.00 0.00 N ATOM 302 CA PRO A 24 -0.793 -4.294 -1.635 1.00 0.00 C ATOM 303 C PRO A 24 -1.555 -5.612 -1.716 1.00 0.00 C ATOM 304 O PRO A 24 -2.283 -5.976 -0.793 1.00 0.00 O ATOM 305 CB PRO A 24 0.462 -4.454 -0.774 1.00 0.00 C ATOM 306 CG PRO A 24 0.048 -4.008 0.586 1.00 0.00 C ATOM 307 CD PRO A 24 -0.970 -2.921 0.373 1.00 0.00 C ATOM 0 HA PRO A 24 -0.585 -4.023 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.806 -5.488 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.284 -3.849 -1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.377 -4.835 1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.902 -3.637 1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.725 -2.918 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.509 -1.933 0.370 1.00 0.00 H new ATOM 315 N ARG A 25 -1.382 -6.323 -2.825 1.00 0.00 N ATOM 316 CA ARG A 25 -2.055 -7.601 -3.026 1.00 0.00 C ATOM 317 C ARG A 25 -1.081 -8.762 -2.847 1.00 0.00 C ATOM 318 O ARG A 25 0.130 -8.560 -2.751 1.00 0.00 O ATOM 319 CB ARG A 25 -2.681 -7.658 -4.421 1.00 0.00 C ATOM 320 CG ARG A 25 -1.678 -7.474 -5.547 1.00 0.00 C ATOM 321 CD ARG A 25 -1.091 -8.804 -5.994 1.00 0.00 C ATOM 322 NE ARG A 25 -1.975 -9.508 -6.920 1.00 0.00 N ATOM 323 CZ ARG A 25 -2.158 -9.141 -8.183 1.00 0.00 C ATOM 324 NH1 ARG A 25 -1.523 -8.083 -8.668 1.00 0.00 N ATOM 325 NH2 ARG A 25 -2.978 -9.833 -8.964 1.00 0.00 N ATOM 0 H ARG A 25 -0.782 -6.036 -3.598 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.842 -7.690 -2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.182 -8.618 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.447 -6.886 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.164 -6.987 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.876 -6.814 -5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.127 -8.632 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.907 -9.431 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.479 -10.326 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.892 -7.549 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.665 -7.803 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.468 -10.647 -8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.118 -9.550 -9.934 1.00 0.00 H new ATOM 339 N ILE A 26 -1.618 -9.976 -2.802 1.00 0.00 N ATOM 340 CA ILE A 26 -0.797 -11.169 -2.635 1.00 0.00 C ATOM 341 C ILE A 26 -0.509 -11.831 -3.978 1.00 0.00 C ATOM 342 O ILE A 26 -1.426 -12.227 -4.696 1.00 0.00 O ATOM 343 CB ILE A 26 -1.474 -12.193 -1.705 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.185 -11.855 -0.241 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.000 -13.601 -2.034 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.249 -12.116 0.167 1.00 0.00 C ATOM 0 H ILE A 26 -2.618 -10.160 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 26 0.141 -10.845 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.552 -12.148 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.419 -10.805 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.848 -12.440 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.487 -14.314 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.253 -13.838 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.080 -13.661 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.382 -11.854 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.482 -13.171 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.917 -11.511 -0.445 1.00 0.00 H new ATOM 358 N ALA A 27 0.773 -11.949 -4.310 1.00 0.00 N ATOM 359 CA ALA A 27 1.182 -12.566 -5.565 1.00 0.00 C ATOM 360 C ALA A 27 1.732 -13.970 -5.333 1.00 0.00 C ATOM 361 O ALA A 27 1.815 -14.775 -6.259 1.00 0.00 O ATOM 362 CB ALA A 27 2.220 -11.701 -6.266 1.00 0.00 C ATOM 0 H ALA A 27 1.545 -11.625 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 27 0.302 -12.648 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.516 -12.175 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.795 -10.719 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.094 -11.589 -5.624 1.00 0.00 H new ATOM 368 N ASN A 28 2.106 -14.255 -4.090 1.00 0.00 N ATOM 369 CA ASN A 28 2.649 -15.562 -3.737 1.00 0.00 C ATOM 370 C ASN A 28 2.886 -15.664 -2.233 1.00 0.00 C ATOM 371 O ASN A 28 3.733 -14.964 -1.679 1.00 0.00 O ATOM 372 CB ASN A 28 3.958 -15.814 -4.488 1.00 0.00 C ATOM 373 CG ASN A 28 4.453 -17.238 -4.325 1.00 0.00 C ATOM 374 OD1 ASN A 28 4.434 -17.792 -3.226 1.00 0.00 O ATOM 375 ND2 ASN A 28 4.901 -17.838 -5.423 1.00 0.00 N ATOM 0 H ASN A 28 2.043 -13.599 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 28 1.921 -16.320 -4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.813 -15.602 -5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.720 -15.124 -4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.248 -18.796 -5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.898 -17.340 -6.313 1.00 0.00 H new ATOM 382 N ARG A 29 2.131 -16.541 -1.579 1.00 0.00 N ATOM 383 CA ARG A 29 2.257 -16.734 -0.139 1.00 0.00 C ATOM 384 C ARG A 29 2.474 -18.207 0.194 1.00 0.00 C ATOM 385 O ARG A 29 1.783 -19.082 -0.330 1.00 0.00 O ATOM 386 CB ARG A 29 1.009 -16.216 0.578 1.00 0.00 C ATOM 387 CG ARG A 29 -0.283 -16.844 0.083 1.00 0.00 C ATOM 388 CD ARG A 29 -1.341 -16.876 1.175 1.00 0.00 C ATOM 389 NE ARG A 29 -2.381 -17.863 0.901 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.364 -17.672 0.027 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.439 -16.537 -0.653 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.273 -18.619 -0.167 1.00 0.00 N ATOM 0 H ARG A 29 1.426 -17.129 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 29 3.124 -16.170 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.109 -16.406 1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.950 -15.135 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.658 -16.282 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.086 -17.858 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.869 -17.103 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.794 -15.889 1.270 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.352 -18.748 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.741 -15.808 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.194 -16.393 -1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.217 -19.494 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.027 -18.472 -0.838 1.00 0.00 H new ATOM 406 N THR A 30 3.438 -18.475 1.069 1.00 0.00 N ATOM 407 CA THR A 30 3.747 -19.842 1.472 1.00 0.00 C ATOM 408 C THR A 30 3.557 -20.029 2.972 1.00 0.00 C ATOM 409 O THR A 30 3.157 -19.103 3.679 1.00 0.00 O ATOM 410 CB THR A 30 5.191 -20.225 1.096 1.00 0.00 C ATOM 411 OG1 THR A 30 6.101 -19.731 2.085 1.00 0.00 O ATOM 412 CG2 THR A 30 5.562 -19.664 -0.268 1.00 0.00 C ATOM 0 H THR A 30 4.019 -17.763 1.513 1.00 0.00 H new ATOM 0 HA THR A 30 3.056 -20.494 0.938 1.00 0.00 H new ATOM 0 HB THR A 30 5.256 -21.312 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.017 -19.980 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.586 -19.947 -0.512 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.885 -20.065 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.481 -18.577 -0.249 1.00 0.00 H new ATOM 420 N LYS A 31 3.847 -21.233 3.455 1.00 0.00 N ATOM 421 CA LYS A 31 3.711 -21.542 4.873 1.00 0.00 C ATOM 422 C LYS A 31 4.739 -20.775 5.699 1.00 0.00 C ATOM 423 O LYS A 31 4.531 -20.519 6.884 1.00 0.00 O ATOM 424 CB LYS A 31 3.873 -23.046 5.106 1.00 0.00 C ATOM 425 CG LYS A 31 2.904 -23.894 4.301 1.00 0.00 C ATOM 426 CD LYS A 31 3.275 -25.367 4.354 1.00 0.00 C ATOM 427 CE LYS A 31 2.895 -25.990 5.688 1.00 0.00 C ATOM 428 NZ LYS A 31 1.423 -26.182 5.811 1.00 0.00 N ATOM 0 H LYS A 31 4.178 -22.011 2.884 1.00 0.00 H new ATOM 0 HA LYS A 31 2.714 -21.236 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.893 -23.336 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.734 -23.258 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.893 -23.758 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.898 -23.556 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.772 -25.899 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.347 -25.479 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.397 -26.951 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.247 -25.354 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.218 -26.772 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.960 -25.257 5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.061 -26.651 4.956 1.00 0.00 H new ATOM 442 N ASN A 32 5.848 -20.410 5.064 1.00 0.00 N ATOM 443 CA ASN A 32 6.908 -19.671 5.740 1.00 0.00 C ATOM 444 C ASN A 32 7.386 -18.501 4.886 1.00 0.00 C ATOM 445 O ASN A 32 8.583 -18.231 4.799 1.00 0.00 O ATOM 446 CB ASN A 32 8.083 -20.599 6.057 1.00 0.00 C ATOM 447 CG ASN A 32 7.633 -21.916 6.659 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.080 -22.771 5.967 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.869 -22.086 7.954 1.00 0.00 N ATOM 0 H ASN A 32 6.036 -20.614 4.082 1.00 0.00 H new ATOM 0 HA ASN A 32 6.504 -19.276 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.646 -20.793 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.761 -20.099 6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.589 -22.952 8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.330 -21.350 8.489 1.00 0.00 H new ATOM 456 N SER A 33 6.440 -17.810 4.257 1.00 0.00 N ATOM 457 CA SER A 33 6.764 -16.670 3.407 1.00 0.00 C ATOM 458 C SER A 33 5.496 -15.956 2.950 1.00 0.00 C ATOM 459 O SER A 33 4.394 -16.495 3.055 1.00 0.00 O ATOM 460 CB SER A 33 7.573 -17.127 2.191 1.00 0.00 C ATOM 461 OG SER A 33 8.068 -16.018 1.462 1.00 0.00 O ATOM 0 H SER A 33 5.444 -18.020 4.320 1.00 0.00 H new ATOM 0 HA SER A 33 7.363 -15.971 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.404 -17.752 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.947 -17.741 1.544 1.00 0.00 H new ATOM 0 HG SER A 33 7.598 -15.954 0.604 1.00 0.00 H new ATOM 467 N LEU A 34 5.661 -14.739 2.442 1.00 0.00 N ATOM 468 CA LEU A 34 4.530 -13.949 1.967 1.00 0.00 C ATOM 469 C LEU A 34 4.984 -12.901 0.956 1.00 0.00 C ATOM 470 O LEU A 34 5.822 -12.051 1.260 1.00 0.00 O ATOM 471 CB LEU A 34 3.828 -13.269 3.144 1.00 0.00 C ATOM 472 CG LEU A 34 2.665 -14.040 3.768 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.316 -13.466 5.133 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.452 -14.012 2.850 1.00 0.00 C ATOM 0 H LEU A 34 6.566 -14.278 2.349 1.00 0.00 H new ATOM 0 HA LEU A 34 3.829 -14.623 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.568 -13.076 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.457 -12.300 2.810 1.00 0.00 H new ATOM 0 HG LEU A 34 2.971 -15.078 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.486 -14.027 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.182 -13.539 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.029 -12.420 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.634 -14.566 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.144 -12.979 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.708 -14.471 1.895 1.00 0.00 H new ATOM 486 N THR A 35 4.424 -12.965 -0.248 1.00 0.00 N ATOM 487 CA THR A 35 4.770 -12.022 -1.303 1.00 0.00 C ATOM 488 C THR A 35 3.667 -10.989 -1.501 1.00 0.00 C ATOM 489 O THR A 35 2.506 -11.340 -1.720 1.00 0.00 O ATOM 490 CB THR A 35 5.028 -12.744 -2.639 1.00 0.00 C ATOM 491 OG1 THR A 35 5.839 -13.903 -2.421 1.00 0.00 O ATOM 492 CG2 THR A 35 5.716 -11.817 -3.631 1.00 0.00 C ATOM 0 H THR A 35 3.728 -13.661 -0.516 1.00 0.00 H new ATOM 0 HA THR A 35 5.684 -11.517 -0.989 1.00 0.00 H new ATOM 0 HB THR A 35 4.067 -13.047 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.299 -14.607 -2.004 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.888 -12.349 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.083 -10.949 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.670 -11.488 -3.220 1.00 0.00 H new ATOM 500 N LEU A 36 4.035 -9.715 -1.424 1.00 0.00 N ATOM 501 CA LEU A 36 3.075 -8.630 -1.596 1.00 0.00 C ATOM 502 C LEU A 36 3.487 -7.715 -2.745 1.00 0.00 C ATOM 503 O LEU A 36 4.640 -7.294 -2.831 1.00 0.00 O ATOM 504 CB LEU A 36 2.953 -7.821 -0.303 1.00 0.00 C ATOM 505 CG LEU A 36 2.532 -8.604 0.941 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.079 -7.944 2.197 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.016 -8.717 1.012 1.00 0.00 C ATOM 0 H LEU A 36 4.991 -9.408 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 36 2.107 -9.069 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.914 -7.348 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.231 -7.020 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 36 2.948 -9.609 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.769 -8.515 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.168 -7.916 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.693 -6.927 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.734 -9.277 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.579 -7.720 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.648 -9.235 0.126 1.00 0.00 H new ATOM 519 N GLN A 37 2.537 -7.410 -3.622 1.00 0.00 N ATOM 520 CA GLN A 37 2.802 -6.544 -4.765 1.00 0.00 C ATOM 521 C GLN A 37 1.868 -5.338 -4.762 1.00 0.00 C ATOM 522 O GLN A 37 0.681 -5.461 -4.460 1.00 0.00 O ATOM 523 CB GLN A 37 2.643 -7.323 -6.071 1.00 0.00 C ATOM 524 CG GLN A 37 3.741 -8.349 -6.304 1.00 0.00 C ATOM 525 CD GLN A 37 3.628 -9.027 -7.656 1.00 0.00 C ATOM 526 OE1 GLN A 37 2.528 -9.317 -8.128 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.768 -9.285 -8.286 1.00 0.00 N ATOM 0 H GLN A 37 1.577 -7.749 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 37 3.829 -6.186 -4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.678 -7.830 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.631 -6.621 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.712 -7.860 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.701 -9.104 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.657 -9.027 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.755 -9.741 -9.198 1.00 0.00 H new ATOM 536 N TRP A 38 2.412 -4.174 -5.099 1.00 0.00 N ATOM 537 CA TRP A 38 1.626 -2.946 -5.134 1.00 0.00 C ATOM 538 C TRP A 38 2.044 -2.067 -6.308 1.00 0.00 C ATOM 539 O TRP A 38 3.079 -2.298 -6.933 1.00 0.00 O ATOM 540 CB TRP A 38 1.786 -2.176 -3.822 1.00 0.00 C ATOM 541 CG TRP A 38 3.213 -1.865 -3.486 1.00 0.00 C ATOM 542 CD1 TRP A 38 3.933 -0.778 -3.892 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.093 -2.652 -2.675 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.208 -0.842 -3.383 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.331 -1.981 -2.632 1.00 0.00 C ATOM 546 CE3 TRP A 38 3.955 -3.856 -1.980 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.421 -2.476 -1.922 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.039 -4.347 -1.276 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.258 -3.658 -1.251 1.00 0.00 C ATOM 0 H TRP A 38 3.393 -4.055 -5.352 1.00 0.00 H new ATOM 0 HA TRP A 38 0.578 -3.218 -5.262 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.224 -1.244 -3.885 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.348 -2.758 -3.011 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.556 0.015 -4.521 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.944 -0.153 -3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.018 -4.394 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.362 -1.946 -1.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.944 -5.278 -0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.086 -4.067 -0.691 1.00 0.00 H new ATOM 560 N LYS A 39 1.232 -1.057 -6.603 1.00 0.00 N ATOM 561 CA LYS A 39 1.518 -0.141 -7.702 1.00 0.00 C ATOM 562 C LYS A 39 1.777 1.269 -7.181 1.00 0.00 C ATOM 563 O LYS A 39 1.089 1.744 -6.278 1.00 0.00 O ATOM 564 CB LYS A 39 0.353 -0.123 -8.694 1.00 0.00 C ATOM 565 CG LYS A 39 0.063 -1.478 -9.316 1.00 0.00 C ATOM 566 CD LYS A 39 0.961 -1.746 -10.513 1.00 0.00 C ATOM 567 CE LYS A 39 0.726 -3.135 -11.085 1.00 0.00 C ATOM 568 NZ LYS A 39 1.946 -3.675 -11.748 1.00 0.00 N ATOM 0 H LYS A 39 0.371 -0.852 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 39 2.416 -0.492 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.542 0.232 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.573 0.592 -9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.206 -2.260 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.981 -1.521 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.775 -0.998 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.005 -1.645 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.418 -3.810 -10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.092 -3.098 -11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.745 -4.623 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.226 -3.045 -12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.720 -3.734 -11.056 1.00 0.00 H new ATOM 582 N ALA A 40 2.774 1.933 -7.757 1.00 0.00 N ATOM 583 CA ALA A 40 3.121 3.290 -7.353 1.00 0.00 C ATOM 584 C ALA A 40 1.970 4.254 -7.619 1.00 0.00 C ATOM 585 O ALA A 40 1.382 4.273 -8.700 1.00 0.00 O ATOM 586 CB ALA A 40 4.377 3.751 -8.078 1.00 0.00 C ATOM 0 H ALA A 40 3.355 1.553 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 40 3.315 3.285 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.625 4.766 -7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.204 3.084 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.203 3.733 -9.154 1.00 0.00 H new ATOM 592 N PRO A 41 1.639 5.074 -6.610 1.00 0.00 N ATOM 593 CA PRO A 41 0.555 6.055 -6.712 1.00 0.00 C ATOM 594 C PRO A 41 0.896 7.200 -7.660 1.00 0.00 C ATOM 595 O PRO A 41 1.922 7.170 -8.340 1.00 0.00 O ATOM 596 CB PRO A 41 0.410 6.573 -5.278 1.00 0.00 C ATOM 597 CG PRO A 41 1.747 6.353 -4.659 1.00 0.00 C ATOM 598 CD PRO A 41 2.297 5.106 -5.293 1.00 0.00 C ATOM 0 HA PRO A 41 -0.357 5.615 -7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.136 7.628 -5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.369 6.034 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.404 7.204 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.662 6.237 -3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.382 5.148 -5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.062 4.219 -4.705 1.00 0.00 H new ATOM 606 N SER A 42 0.030 8.208 -7.699 1.00 0.00 N ATOM 607 CA SER A 42 0.239 9.361 -8.566 1.00 0.00 C ATOM 608 C SER A 42 1.038 10.444 -7.848 1.00 0.00 C ATOM 609 O SER A 42 0.570 11.034 -6.874 1.00 0.00 O ATOM 610 CB SER A 42 -1.105 9.927 -9.030 1.00 0.00 C ATOM 611 OG SER A 42 -1.695 9.096 -10.014 1.00 0.00 O ATOM 0 H SER A 42 -0.822 8.249 -7.140 1.00 0.00 H new ATOM 0 HA SER A 42 0.807 9.031 -9.436 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.778 10.021 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.961 10.929 -9.434 1.00 0.00 H new ATOM 0 HG SER A 42 -2.553 9.478 -10.293 1.00 0.00 H new ATOM 617 N ASP A 43 2.248 10.700 -8.335 1.00 0.00 N ATOM 618 CA ASP A 43 3.113 11.712 -7.741 1.00 0.00 C ATOM 619 C ASP A 43 2.602 13.115 -8.053 1.00 0.00 C ATOM 620 O ASP A 43 2.991 13.720 -9.051 1.00 0.00 O ATOM 621 CB ASP A 43 4.546 11.552 -8.252 1.00 0.00 C ATOM 622 CG ASP A 43 4.663 11.817 -9.741 1.00 0.00 C ATOM 623 OD1 ASP A 43 4.325 10.913 -10.533 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.091 12.930 -10.112 1.00 0.00 O ATOM 0 H ASP A 43 2.651 10.220 -9.140 1.00 0.00 H new ATOM 0 HA ASP A 43 3.103 11.574 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.200 12.237 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.895 10.542 -8.037 1.00 0.00 H new ATOM 629 N ASN A 44 1.727 13.626 -7.193 1.00 0.00 N ATOM 630 CA ASN A 44 1.162 14.957 -7.378 1.00 0.00 C ATOM 631 C ASN A 44 1.930 15.992 -6.562 1.00 0.00 C ATOM 632 O ASN A 44 1.544 16.327 -5.443 1.00 0.00 O ATOM 633 CB ASN A 44 -0.315 14.967 -6.975 1.00 0.00 C ATOM 634 CG ASN A 44 -0.516 14.641 -5.508 1.00 0.00 C ATOM 635 OD1 ASN A 44 -0.599 15.536 -4.667 1.00 0.00 O ATOM 636 ND2 ASN A 44 -0.595 13.353 -5.194 1.00 0.00 N ATOM 0 H ASN A 44 1.394 13.138 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 44 1.246 15.217 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.740 15.948 -7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.860 14.245 -7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.730 13.072 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.521 12.645 -5.924 1.00 0.00 H new ATOM 643 N GLY A 45 3.020 16.497 -7.132 1.00 0.00 N ATOM 644 CA GLY A 45 3.825 17.489 -6.445 1.00 0.00 C ATOM 645 C GLY A 45 5.311 17.215 -6.565 1.00 0.00 C ATOM 646 O GLY A 45 6.076 18.081 -6.989 1.00 0.00 O ATOM 0 H GLY A 45 3.360 16.236 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.607 18.476 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.547 17.512 -5.391 1.00 0.00 H new ATOM 650 N SER A 46 5.721 16.008 -6.189 1.00 0.00 N ATOM 651 CA SER A 46 7.126 15.624 -6.252 1.00 0.00 C ATOM 652 C SER A 46 7.271 14.110 -6.362 1.00 0.00 C ATOM 653 O SER A 46 6.356 13.360 -6.022 1.00 0.00 O ATOM 654 CB SER A 46 7.871 16.130 -5.015 1.00 0.00 C ATOM 655 OG SER A 46 7.614 15.304 -3.892 1.00 0.00 O ATOM 0 H SER A 46 5.100 15.279 -5.838 1.00 0.00 H new ATOM 0 HA SER A 46 7.562 16.079 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.942 16.153 -5.216 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.565 17.153 -4.796 1.00 0.00 H new ATOM 0 HG SER A 46 8.031 15.695 -3.096 1.00 0.00 H new ATOM 661 N LYS A 47 8.428 13.666 -6.841 1.00 0.00 N ATOM 662 CA LYS A 47 8.697 12.241 -6.997 1.00 0.00 C ATOM 663 C LYS A 47 8.896 11.574 -5.640 1.00 0.00 C ATOM 664 O LYS A 47 9.772 11.966 -4.868 1.00 0.00 O ATOM 665 CB LYS A 47 9.935 12.027 -7.869 1.00 0.00 C ATOM 666 CG LYS A 47 11.200 12.638 -7.291 1.00 0.00 C ATOM 667 CD LYS A 47 12.318 12.682 -8.319 1.00 0.00 C ATOM 668 CE LYS A 47 12.949 11.312 -8.515 1.00 0.00 C ATOM 669 NZ LYS A 47 14.167 11.378 -9.369 1.00 0.00 N ATOM 0 H LYS A 47 9.196 14.273 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 47 7.835 11.785 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.090 10.957 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.753 12.455 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.989 13.647 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.523 12.059 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.925 13.042 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.080 13.392 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.209 10.890 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.222 10.640 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.567 10.424 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.915 11.757 -10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.871 11.999 -8.922 1.00 0.00 H new ATOM 683 N ILE A 48 8.080 10.564 -5.357 1.00 0.00 N ATOM 684 CA ILE A 48 8.170 9.841 -4.094 1.00 0.00 C ATOM 685 C ILE A 48 9.572 9.283 -3.878 1.00 0.00 C ATOM 686 O ILE A 48 10.134 8.634 -4.760 1.00 0.00 O ATOM 687 CB ILE A 48 7.154 8.685 -4.034 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.727 9.223 -4.159 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.319 7.902 -2.740 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.709 8.160 -4.508 1.00 0.00 C ATOM 0 H ILE A 48 7.350 10.228 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 48 7.941 10.556 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 48 7.342 8.012 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.441 9.694 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.706 10.000 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.594 7.088 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.327 7.491 -2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.154 8.564 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.720 8.613 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.971 7.705 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.702 7.395 -3.732 1.00 0.00 H new ATOM 702 N GLN A 49 10.130 9.539 -2.699 1.00 0.00 N ATOM 703 CA GLN A 49 11.467 9.060 -2.368 1.00 0.00 C ATOM 704 C GLN A 49 11.507 7.536 -2.332 1.00 0.00 C ATOM 705 O GLN A 49 12.167 6.904 -3.155 1.00 0.00 O ATOM 706 CB GLN A 49 11.913 9.625 -1.018 1.00 0.00 C ATOM 707 CG GLN A 49 11.984 11.144 -0.987 1.00 0.00 C ATOM 708 CD GLN A 49 13.255 11.682 -1.613 1.00 0.00 C ATOM 709 OE1 GLN A 49 14.326 11.090 -1.477 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.144 12.811 -2.303 1.00 0.00 N ATOM 0 H GLN A 49 9.678 10.075 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 49 12.151 9.404 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.222 9.286 -0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.893 9.219 -0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.122 11.555 -1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.919 11.486 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.236 13.268 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.966 13.221 -2.746 1.00 0.00 H new ATOM 719 N ASN A 50 10.795 6.953 -1.373 1.00 0.00 N ATOM 720 CA ASN A 50 10.750 5.502 -1.230 1.00 0.00 C ATOM 721 C ASN A 50 9.414 5.054 -0.645 1.00 0.00 C ATOM 722 O ASN A 50 8.641 5.869 -0.140 1.00 0.00 O ATOM 723 CB ASN A 50 11.896 5.021 -0.339 1.00 0.00 C ATOM 724 CG ASN A 50 12.273 6.040 0.720 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.285 6.490 1.485 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.438 6.417 0.848 1.00 0.00 N flip ATOM 0 H ASN A 50 10.242 7.462 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 50 10.859 5.061 -2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.609 4.087 0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.767 4.805 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.165 6.044 0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.676 7.103 1.565 1.00 0.00 H new ATOM 733 N PHE A 51 9.148 3.754 -0.718 1.00 0.00 N ATOM 734 CA PHE A 51 7.905 3.198 -0.196 1.00 0.00 C ATOM 735 C PHE A 51 8.101 2.660 1.218 1.00 0.00 C ATOM 736 O PHE A 51 9.007 1.865 1.472 1.00 0.00 O ATOM 737 CB PHE A 51 7.397 2.082 -1.112 1.00 0.00 C ATOM 738 CG PHE A 51 6.796 2.586 -2.393 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.681 3.408 -2.374 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.345 2.237 -3.616 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.125 3.872 -3.551 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.794 2.698 -4.797 1.00 0.00 C ATOM 743 CZ PHE A 51 5.683 3.518 -4.764 1.00 0.00 C ATOM 0 H PHE A 51 9.776 3.066 -1.133 1.00 0.00 H new ATOM 0 HA PHE A 51 7.165 3.997 -0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.223 1.411 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.651 1.494 -0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.241 3.689 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.214 1.597 -3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.255 4.511 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.231 2.418 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.251 3.882 -5.685 1.00 0.00 H new ATOM 753 N VAL A 52 7.247 3.100 2.136 1.00 0.00 N ATOM 754 CA VAL A 52 7.324 2.663 3.525 1.00 0.00 C ATOM 755 C VAL A 52 6.295 1.578 3.819 1.00 0.00 C ATOM 756 O VAL A 52 5.091 1.838 3.841 1.00 0.00 O ATOM 757 CB VAL A 52 7.106 3.839 4.496 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.092 3.347 5.935 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.177 4.900 4.297 1.00 0.00 C ATOM 0 H VAL A 52 6.493 3.759 1.943 1.00 0.00 H new ATOM 0 HA VAL A 52 8.325 2.259 3.674 1.00 0.00 H new ATOM 0 HB VAL A 52 6.137 4.290 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.937 4.191 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.285 2.627 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.045 2.870 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.007 5.723 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.159 4.465 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.134 5.273 3.274 1.00 0.00 H new ATOM 769 N LEU A 53 6.776 0.360 4.044 1.00 0.00 N ATOM 770 CA LEU A 53 5.897 -0.767 4.337 1.00 0.00 C ATOM 771 C LEU A 53 5.966 -1.141 5.814 1.00 0.00 C ATOM 772 O LEU A 53 7.024 -1.057 6.436 1.00 0.00 O ATOM 773 CB LEU A 53 6.276 -1.973 3.475 1.00 0.00 C ATOM 774 CG LEU A 53 5.383 -3.206 3.616 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.978 -2.906 3.117 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.979 -4.385 2.861 1.00 0.00 C ATOM 0 H LEU A 53 7.769 0.128 4.029 1.00 0.00 H new ATOM 0 HA LEU A 53 4.875 -0.469 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.271 -1.663 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.299 -2.260 3.717 1.00 0.00 H new ATOM 0 HG LEU A 53 5.323 -3.470 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.356 -3.795 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.551 -2.091 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.019 -2.617 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.330 -5.254 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.069 -4.132 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.965 -4.614 3.265 1.00 0.00 H new ATOM 788 N GLU A 54 4.831 -1.557 6.368 1.00 0.00 N ATOM 789 CA GLU A 54 4.764 -1.946 7.772 1.00 0.00 C ATOM 790 C GLU A 54 3.816 -3.126 7.965 1.00 0.00 C ATOM 791 O GLU A 54 2.954 -3.387 7.125 1.00 0.00 O ATOM 792 CB GLU A 54 4.308 -0.764 8.630 1.00 0.00 C ATOM 793 CG GLU A 54 5.358 0.323 8.777 1.00 0.00 C ATOM 794 CD GLU A 54 4.808 1.584 9.415 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.760 1.498 10.089 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.425 2.656 9.241 1.00 0.00 O ATOM 0 H GLU A 54 3.946 -1.633 5.866 1.00 0.00 H new ATOM 0 HA GLU A 54 5.762 -2.250 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.409 -0.332 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.034 -1.129 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.184 -0.054 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.765 0.565 7.795 1.00 0.00 H new ATOM 803 N TRP A 55 3.982 -3.834 9.076 1.00 0.00 N ATOM 804 CA TRP A 55 3.141 -4.986 9.380 1.00 0.00 C ATOM 805 C TRP A 55 3.125 -5.269 10.878 1.00 0.00 C ATOM 806 O TRP A 55 3.990 -4.798 11.617 1.00 0.00 O ATOM 807 CB TRP A 55 3.636 -6.219 8.621 1.00 0.00 C ATOM 808 CG TRP A 55 4.937 -6.753 9.140 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.009 -6.024 9.570 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.302 -8.130 9.282 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.019 -6.865 9.970 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.610 -8.162 9.805 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.652 -9.339 9.021 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.277 -9.356 10.068 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.315 -10.522 9.283 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.616 -10.524 9.803 1.00 0.00 C ATOM 0 H TRP A 55 4.691 -3.631 9.781 1.00 0.00 H new ATOM 0 HA TRP A 55 2.124 -4.756 9.062 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.880 -7.002 8.682 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.750 -5.967 7.567 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.056 -4.945 9.592 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.926 -6.571 10.331 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.649 -9.348 8.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.281 -9.360 10.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.822 -11.462 9.084 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.107 -11.466 9.998 1.00 0.00 H new ATOM 827 N ASP A 56 2.138 -6.040 11.320 1.00 0.00 N ATOM 828 CA ASP A 56 2.011 -6.386 12.731 1.00 0.00 C ATOM 829 C ASP A 56 2.793 -7.656 13.052 1.00 0.00 C ATOM 830 O ASP A 56 2.461 -8.379 13.990 1.00 0.00 O ATOM 831 CB ASP A 56 0.539 -6.571 13.102 1.00 0.00 C ATOM 832 CG ASP A 56 -0.155 -7.594 12.225 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.550 -8.387 11.567 1.00 0.00 O ATOM 834 OD2 ASP A 56 -1.404 -7.602 12.197 1.00 0.00 O ATOM 0 H ASP A 56 1.414 -6.437 10.722 1.00 0.00 H new ATOM 0 HA ASP A 56 2.426 -5.567 13.319 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.466 -6.881 14.144 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.023 -5.615 13.017 1.00 0.00 H new ATOM 839 N GLU A 57 3.831 -7.920 12.265 1.00 0.00 N ATOM 840 CA GLU A 57 4.659 -9.104 12.465 1.00 0.00 C ATOM 841 C GLU A 57 3.795 -10.329 12.748 1.00 0.00 C ATOM 842 O GLU A 57 4.222 -11.258 13.433 1.00 0.00 O ATOM 843 CB GLU A 57 5.639 -8.879 13.618 1.00 0.00 C ATOM 844 CG GLU A 57 6.904 -8.145 13.208 1.00 0.00 C ATOM 845 CD GLU A 57 7.922 -8.064 14.329 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.379 -9.129 14.793 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.262 -6.935 14.741 1.00 0.00 O ATOM 0 H GLU A 57 4.119 -7.331 11.484 1.00 0.00 H new ATOM 0 HA GLU A 57 5.223 -9.282 11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.139 -8.312 14.403 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.911 -9.844 14.045 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.351 -8.650 12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.646 -7.137 12.884 1.00 0.00 H new ATOM 854 N GLY A 58 2.576 -10.323 12.216 1.00 0.00 N ATOM 855 CA GLY A 58 1.671 -11.438 12.423 1.00 0.00 C ATOM 856 C GLY A 58 1.620 -11.883 13.871 1.00 0.00 C ATOM 857 O GLY A 58 1.648 -13.079 14.163 1.00 0.00 O ATOM 0 H GLY A 58 2.200 -9.566 11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.670 -11.154 12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.983 -12.276 11.800 1.00 0.00 H new ATOM 861 N LYS A 59 1.548 -10.919 14.782 1.00 0.00 N ATOM 862 CA LYS A 59 1.493 -11.215 16.209 1.00 0.00 C ATOM 863 C LYS A 59 0.056 -11.176 16.719 1.00 0.00 C ATOM 864 O LYS A 59 -0.407 -12.111 17.370 1.00 0.00 O ATOM 865 CB LYS A 59 2.351 -10.218 16.991 1.00 0.00 C ATOM 866 CG LYS A 59 3.832 -10.553 16.985 1.00 0.00 C ATOM 867 CD LYS A 59 4.158 -11.663 17.970 1.00 0.00 C ATOM 868 CE LYS A 59 5.352 -12.485 17.510 1.00 0.00 C ATOM 869 NZ LYS A 59 6.638 -11.770 17.738 1.00 0.00 N ATOM 0 H LYS A 59 1.526 -9.924 14.557 1.00 0.00 H new ATOM 0 HA LYS A 59 1.886 -12.220 16.361 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.211 -9.222 16.570 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.000 -10.180 18.022 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.133 -10.856 15.982 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.408 -9.662 17.236 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.367 -11.232 18.949 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.291 -12.313 18.087 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.366 -13.436 18.043 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.248 -12.715 16.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.428 -12.363 17.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.636 -10.874 17.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.750 -11.572 18.753 1.00 0.00 H new ATOM 883 N GLY A 60 -0.645 -10.088 16.416 1.00 0.00 N ATOM 884 CA GLY A 60 -2.023 -9.948 16.850 1.00 0.00 C ATOM 885 C GLY A 60 -2.164 -9.019 18.040 1.00 0.00 C ATOM 886 O GLY A 60 -2.840 -9.347 19.014 1.00 0.00 O ATOM 0 H GLY A 60 -0.283 -9.301 15.878 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.624 -9.569 16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.421 -10.929 17.110 1.00 0.00 H new ATOM 890 N ASN A 61 -1.524 -7.858 17.961 1.00 0.00 N ATOM 891 CA ASN A 61 -1.579 -6.879 19.041 1.00 0.00 C ATOM 892 C ASN A 61 -2.039 -5.520 18.520 1.00 0.00 C ATOM 893 O ASN A 61 -2.851 -4.845 19.151 1.00 0.00 O ATOM 894 CB ASN A 61 -0.209 -6.745 19.707 1.00 0.00 C ATOM 895 CG ASN A 61 0.913 -6.595 18.698 1.00 0.00 C ATOM 896 OD1 ASN A 61 1.128 -5.515 18.148 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.634 -7.682 18.449 1.00 0.00 N ATOM 0 H ASN A 61 -0.961 -7.571 17.160 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.301 -7.229 19.779 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.214 -5.881 20.371 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.022 -7.622 20.326 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.402 -7.642 17.778 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.420 -8.557 18.928 1.00 0.00 H new ATOM 904 N GLY A 62 -1.514 -5.127 17.364 1.00 0.00 N ATOM 905 CA GLY A 62 -1.882 -3.851 16.778 1.00 0.00 C ATOM 906 C GLY A 62 -0.711 -2.891 16.696 1.00 0.00 C ATOM 907 O GLY A 62 -0.891 -1.676 16.768 1.00 0.00 O ATOM 0 H GLY A 62 -0.841 -5.669 16.823 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.283 -4.016 15.778 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.678 -3.399 17.370 1.00 0.00 H new ATOM 911 N GLU A 63 0.491 -3.438 16.546 1.00 0.00 N ATOM 912 CA GLU A 63 1.695 -2.621 16.458 1.00 0.00 C ATOM 913 C GLU A 63 2.376 -2.800 15.104 1.00 0.00 C ATOM 914 O GLU A 63 2.986 -3.836 14.835 1.00 0.00 O ATOM 915 CB GLU A 63 2.668 -2.983 17.582 1.00 0.00 C ATOM 916 CG GLU A 63 2.102 -2.756 18.973 1.00 0.00 C ATOM 917 CD GLU A 63 3.160 -2.842 20.056 1.00 0.00 C ATOM 918 OE1 GLU A 63 4.260 -2.285 19.854 1.00 0.00 O ATOM 919 OE2 GLU A 63 2.890 -3.466 21.103 1.00 0.00 O ATOM 0 H GLU A 63 0.657 -4.442 16.483 1.00 0.00 H new ATOM 0 HA GLU A 63 1.402 -1.576 16.563 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.953 -4.030 17.481 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.577 -2.393 17.468 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.627 -1.776 19.012 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.325 -3.495 19.170 1.00 0.00 H new ATOM 926 N PHE A 64 2.267 -1.784 14.254 1.00 0.00 N ATOM 927 CA PHE A 64 2.870 -1.830 12.927 1.00 0.00 C ATOM 928 C PHE A 64 4.270 -1.223 12.945 1.00 0.00 C ATOM 929 O PHE A 64 4.461 -0.089 13.385 1.00 0.00 O ATOM 930 CB PHE A 64 1.992 -1.085 11.919 1.00 0.00 C ATOM 931 CG PHE A 64 0.756 -1.842 11.526 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.369 -1.825 12.334 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.719 -2.570 10.347 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.507 -2.522 11.974 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.416 -3.268 9.982 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.531 -3.243 10.797 1.00 0.00 C ATOM 0 H PHE A 64 1.767 -0.919 14.460 1.00 0.00 H new ATOM 0 HA PHE A 64 2.950 -2.875 12.627 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.700 -0.124 12.344 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.579 -0.874 11.025 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.357 -1.261 13.255 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.588 -2.592 9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.377 -2.503 12.613 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.431 -3.832 9.061 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.420 -3.787 10.514 1.00 0.00 H new ATOM 946 N CYS A 65 5.245 -1.987 12.465 1.00 0.00 N ATOM 947 CA CYS A 65 6.628 -1.527 12.427 1.00 0.00 C ATOM 948 C CYS A 65 7.178 -1.574 11.005 1.00 0.00 C ATOM 949 O CYS A 65 6.713 -2.355 10.175 1.00 0.00 O ATOM 950 CB CYS A 65 7.498 -2.381 13.351 1.00 0.00 C ATOM 951 SG CYS A 65 7.602 -4.120 12.867 1.00 0.00 S ATOM 0 H CYS A 65 5.103 -2.928 12.097 1.00 0.00 H new ATOM 0 HA CYS A 65 6.650 -0.493 12.772 1.00 0.00 H new ATOM 0 HB2 CYS A 65 8.504 -1.961 13.376 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.102 -2.320 14.365 1.00 0.00 H new ATOM 0 HG CYS A 65 7.836 -4.850 13.917 1.00 0.00 H new ATOM 957 N GLN A 66 8.169 -0.732 10.731 1.00 0.00 N ATOM 958 CA GLN A 66 8.780 -0.676 9.408 1.00 0.00 C ATOM 959 C GLN A 66 9.273 -2.053 8.978 1.00 0.00 C ATOM 960 O GLN A 66 10.275 -2.553 9.491 1.00 0.00 O ATOM 961 CB GLN A 66 9.941 0.320 9.401 1.00 0.00 C ATOM 962 CG GLN A 66 10.320 0.802 8.010 1.00 0.00 C ATOM 963 CD GLN A 66 11.157 2.066 8.038 1.00 0.00 C ATOM 964 OE1 GLN A 66 12.362 2.032 7.786 1.00 0.00 O ATOM 965 NE2 GLN A 66 10.521 3.190 8.346 1.00 0.00 N ATOM 0 H GLN A 66 8.566 -0.079 11.407 1.00 0.00 H new ATOM 0 HA GLN A 66 8.022 -0.344 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.674 1.181 10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.811 -0.145 9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.873 0.016 7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.413 0.984 7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.521 3.171 8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.032 4.072 8.381 1.00 0.00 H new ATOM 974 N CYS A 67 8.564 -2.662 8.034 1.00 0.00 N ATOM 975 CA CYS A 67 8.929 -3.983 7.535 1.00 0.00 C ATOM 976 C CYS A 67 9.898 -3.873 6.363 1.00 0.00 C ATOM 977 O CYS A 67 10.967 -4.484 6.368 1.00 0.00 O ATOM 978 CB CYS A 67 7.679 -4.754 7.109 1.00 0.00 C ATOM 979 SG CYS A 67 7.835 -6.550 7.247 1.00 0.00 S ATOM 0 H CYS A 67 7.733 -2.262 7.599 1.00 0.00 H new ATOM 0 HA CYS A 67 9.423 -4.525 8.341 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.837 -4.425 7.719 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.443 -4.499 6.076 1.00 0.00 H new ATOM 0 HG CYS A 67 7.008 -6.989 8.148 1.00 0.00 H new ATOM 985 N TYR A 68 9.516 -3.092 5.358 1.00 0.00 N ATOM 986 CA TYR A 68 10.350 -2.905 4.177 1.00 0.00 C ATOM 987 C TYR A 68 10.293 -1.459 3.693 1.00 0.00 C ATOM 988 O TYR A 68 9.217 -0.920 3.437 1.00 0.00 O ATOM 989 CB TYR A 68 9.902 -3.846 3.057 1.00 0.00 C ATOM 990 CG TYR A 68 10.724 -3.720 1.794 1.00 0.00 C ATOM 991 CD1 TYR A 68 11.893 -4.452 1.627 1.00 0.00 C ATOM 992 CD2 TYR A 68 10.332 -2.867 0.770 1.00 0.00 C ATOM 993 CE1 TYR A 68 12.648 -4.339 0.475 1.00 0.00 C ATOM 994 CE2 TYR A 68 11.080 -2.749 -0.386 1.00 0.00 C ATOM 995 CZ TYR A 68 12.237 -3.486 -0.529 1.00 0.00 C ATOM 996 OH TYR A 68 12.985 -3.370 -1.678 1.00 0.00 O ATOM 0 H TYR A 68 8.635 -2.579 5.338 1.00 0.00 H new ATOM 0 HA TYR A 68 11.379 -3.138 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.956 -4.874 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.857 -3.645 2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 68 12.217 -5.121 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.428 -2.287 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.554 -4.915 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.760 -2.083 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 68 13.586 -4.140 -1.756 1.00 0.00 H new ATOM 1006 N MET A 69 11.461 -0.837 3.571 1.00 0.00 N ATOM 1007 CA MET A 69 11.546 0.546 3.117 1.00 0.00 C ATOM 1008 C MET A 69 12.627 0.704 2.052 1.00 0.00 C ATOM 1009 O MET A 69 13.818 0.704 2.359 1.00 0.00 O ATOM 1010 CB MET A 69 11.836 1.476 4.296 1.00 0.00 C ATOM 1011 CG MET A 69 12.079 2.920 3.887 1.00 0.00 C ATOM 1012 SD MET A 69 11.828 4.079 5.245 1.00 0.00 S ATOM 1013 CE MET A 69 11.856 5.640 4.367 1.00 0.00 C ATOM 0 H MET A 69 12.361 -1.269 3.780 1.00 0.00 H new ATOM 0 HA MET A 69 10.586 0.817 2.678 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.997 1.440 4.991 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.710 1.107 4.832 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.098 3.021 3.512 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.410 3.178 3.066 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.105 6.443 5.061 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.605 5.599 3.576 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.876 5.829 3.929 1.00 0.00 H new ATOM 1023 N GLY A 70 12.203 0.836 0.799 1.00 0.00 N ATOM 1024 CA GLY A 70 13.148 0.992 -0.291 1.00 0.00 C ATOM 1025 C GLY A 70 12.510 1.587 -1.531 1.00 0.00 C ATOM 1026 O GLY A 70 11.881 2.643 -1.468 1.00 0.00 O ATOM 0 H GLY A 70 11.222 0.838 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.970 1.631 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.577 0.021 -0.537 1.00 0.00 H new ATOM 1030 N SER A 71 12.673 0.908 -2.662 1.00 0.00 N ATOM 1031 CA SER A 71 12.112 1.378 -3.924 1.00 0.00 C ATOM 1032 C SER A 71 11.249 0.299 -4.570 1.00 0.00 C ATOM 1033 O SER A 71 10.181 0.585 -5.111 1.00 0.00 O ATOM 1034 CB SER A 71 13.232 1.793 -4.880 1.00 0.00 C ATOM 1035 OG SER A 71 12.768 2.738 -5.829 1.00 0.00 O ATOM 0 H SER A 71 13.189 0.031 -2.731 1.00 0.00 H new ATOM 0 HA SER A 71 11.483 2.244 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.060 2.219 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.618 0.914 -5.396 1.00 0.00 H new ATOM 0 HG SER A 71 13.503 2.989 -6.427 1.00 0.00 H new ATOM 1041 N GLN A 72 11.721 -0.942 -4.511 1.00 0.00 N ATOM 1042 CA GLN A 72 10.993 -2.064 -5.091 1.00 0.00 C ATOM 1043 C GLN A 72 9.532 -2.048 -4.657 1.00 0.00 C ATOM 1044 O GLN A 72 9.208 -1.634 -3.544 1.00 0.00 O ATOM 1045 CB GLN A 72 11.644 -3.387 -4.684 1.00 0.00 C ATOM 1046 CG GLN A 72 13.043 -3.576 -5.249 1.00 0.00 C ATOM 1047 CD GLN A 72 13.915 -4.449 -4.368 1.00 0.00 C ATOM 1048 OE1 GLN A 72 14.664 -3.951 -3.527 1.00 0.00 O ATOM 1049 NE2 GLN A 72 13.822 -5.761 -4.556 1.00 0.00 N ATOM 0 H GLN A 72 12.604 -1.196 -4.068 1.00 0.00 H new ATOM 0 HA GLN A 72 11.031 -1.967 -6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.690 -3.440 -3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.012 -4.211 -5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.973 -4.023 -6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.516 -2.602 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.188 -6.131 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.384 -6.398 -3.992 1.00 0.00 H new ATOM 1058 N LYS A 73 8.651 -2.502 -5.543 1.00 0.00 N ATOM 1059 CA LYS A 73 7.223 -2.541 -5.252 1.00 0.00 C ATOM 1060 C LYS A 73 6.802 -3.928 -4.777 1.00 0.00 C ATOM 1061 O LYS A 73 5.707 -4.106 -4.245 1.00 0.00 O ATOM 1062 CB LYS A 73 6.418 -2.149 -6.493 1.00 0.00 C ATOM 1063 CG LYS A 73 6.599 -0.698 -6.902 1.00 0.00 C ATOM 1064 CD LYS A 73 5.642 -0.309 -8.016 1.00 0.00 C ATOM 1065 CE LYS A 73 6.243 -0.582 -9.387 1.00 0.00 C ATOM 1066 NZ LYS A 73 6.029 -1.991 -9.816 1.00 0.00 N ATOM 0 H LYS A 73 8.902 -2.848 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 73 7.021 -1.826 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.711 -2.791 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.361 -2.335 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.436 -0.053 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.626 -0.537 -7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.711 -0.865 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.393 0.749 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.798 0.092 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.311 -0.368 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.983 -2.035 -10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.817 -2.580 -9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.137 -2.344 -9.415 1.00 0.00 H new ATOM 1080 N GLN A 74 7.681 -4.907 -4.972 1.00 0.00 N ATOM 1081 CA GLN A 74 7.399 -6.278 -4.562 1.00 0.00 C ATOM 1082 C GLN A 74 8.399 -6.748 -3.511 1.00 0.00 C ATOM 1083 O GLN A 74 9.611 -6.655 -3.707 1.00 0.00 O ATOM 1084 CB GLN A 74 7.437 -7.212 -5.773 1.00 0.00 C ATOM 1085 CG GLN A 74 7.326 -8.684 -5.409 1.00 0.00 C ATOM 1086 CD GLN A 74 8.669 -9.305 -5.077 1.00 0.00 C ATOM 1087 OE1 GLN A 74 8.701 -10.121 -4.030 1.00 0.00 O flip ATOM 1088 NE2 GLN A 74 9.666 -9.055 -5.755 1.00 0.00 N flip ATOM 0 H GLN A 74 8.593 -4.776 -5.411 1.00 0.00 H new ATOM 0 HA GLN A 74 6.401 -6.302 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.623 -6.951 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.367 -7.050 -6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.658 -8.794 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.874 -9.227 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.595 -8.422 -6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.562 -9.481 -5.520 1.00 0.00 H new ATOM 1097 N PHE A 75 7.883 -7.253 -2.395 1.00 0.00 N ATOM 1098 CA PHE A 75 8.731 -7.736 -1.311 1.00 0.00 C ATOM 1099 C PHE A 75 8.222 -9.073 -0.778 1.00 0.00 C ATOM 1100 O PHE A 75 7.032 -9.234 -0.507 1.00 0.00 O ATOM 1101 CB PHE A 75 8.783 -6.709 -0.179 1.00 0.00 C ATOM 1102 CG PHE A 75 9.445 -7.224 1.067 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.606 -7.976 0.991 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.906 -6.956 2.315 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.216 -8.452 2.137 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.511 -7.428 3.464 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.669 -8.177 3.375 1.00 0.00 C ATOM 0 H PHE A 75 6.882 -7.338 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 75 9.736 -7.881 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.317 -5.825 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.768 -6.394 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.039 -8.193 0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.001 -6.371 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.120 -9.039 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.080 -7.212 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.145 -8.546 4.271 1.00 0.00 H new ATOM 1117 N LYS A 76 9.133 -10.029 -0.630 1.00 0.00 N ATOM 1118 CA LYS A 76 8.780 -11.352 -0.129 1.00 0.00 C ATOM 1119 C LYS A 76 9.332 -11.566 1.276 1.00 0.00 C ATOM 1120 O LYS A 76 10.531 -11.783 1.455 1.00 0.00 O ATOM 1121 CB LYS A 76 9.313 -12.435 -1.069 1.00 0.00 C ATOM 1122 CG LYS A 76 9.260 -13.833 -0.478 1.00 0.00 C ATOM 1123 CD LYS A 76 9.519 -14.895 -1.534 1.00 0.00 C ATOM 1124 CE LYS A 76 10.112 -16.155 -0.923 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.923 -16.922 -1.910 1.00 0.00 N ATOM 0 H LYS A 76 10.122 -9.912 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 76 7.693 -11.419 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.736 -12.418 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.344 -12.200 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.000 -13.921 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.283 -14.000 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.586 -15.140 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.199 -14.501 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.736 -15.886 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.309 -16.787 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.310 -17.773 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.322 -17.201 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.704 -16.328 -2.254 1.00 0.00 H new ATOM 1139 N ILE A 77 8.451 -11.507 2.269 1.00 0.00 N ATOM 1140 CA ILE A 77 8.851 -11.697 3.658 1.00 0.00 C ATOM 1141 C ILE A 77 8.980 -13.179 3.994 1.00 0.00 C ATOM 1142 O ILE A 77 7.980 -13.878 4.166 1.00 0.00 O ATOM 1143 CB ILE A 77 7.847 -11.048 4.627 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.824 -9.530 4.432 1.00 0.00 C ATOM 1145 CG2 ILE A 77 8.198 -11.396 6.066 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.482 -8.902 4.734 1.00 0.00 C ATOM 0 H ILE A 77 7.455 -11.329 2.137 1.00 0.00 H new ATOM 0 HA ILE A 77 9.821 -11.214 3.776 1.00 0.00 H new ATOM 0 HB ILE A 77 6.853 -11.439 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.580 -9.078 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.100 -9.300 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.479 -10.929 6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.168 -12.478 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.199 -11.030 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.540 -7.825 4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.725 -9.326 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.212 -9.101 5.771 1.00 0.00 H new ATOM 1158 N THR A 78 10.218 -13.654 4.089 1.00 0.00 N ATOM 1159 CA THR A 78 10.479 -15.052 4.406 1.00 0.00 C ATOM 1160 C THR A 78 10.646 -15.254 5.907 1.00 0.00 C ATOM 1161 O THR A 78 10.550 -14.305 6.686 1.00 0.00 O ATOM 1162 CB THR A 78 11.740 -15.566 3.687 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.809 -14.626 3.842 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.466 -15.790 2.207 1.00 0.00 C ATOM 0 H THR A 78 11.056 -13.090 3.951 1.00 0.00 H new ATOM 0 HA THR A 78 9.616 -15.620 4.060 1.00 0.00 H new ATOM 0 HB THR A 78 12.025 -16.518 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.608 -14.961 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.371 -16.153 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.671 -16.527 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.159 -14.851 1.748 1.00 0.00 H new ATOM 1172 N LYS A 79 10.897 -16.495 6.308 1.00 0.00 N ATOM 1173 CA LYS A 79 11.081 -16.822 7.718 1.00 0.00 C ATOM 1174 C LYS A 79 9.786 -16.616 8.497 1.00 0.00 C ATOM 1175 O LYS A 79 9.792 -16.059 9.596 1.00 0.00 O ATOM 1176 CB LYS A 79 12.194 -15.963 8.321 1.00 0.00 C ATOM 1177 CG LYS A 79 13.501 -16.032 7.550 1.00 0.00 C ATOM 1178 CD LYS A 79 14.379 -17.171 8.041 1.00 0.00 C ATOM 1179 CE LYS A 79 15.030 -16.838 9.374 1.00 0.00 C ATOM 1180 NZ LYS A 79 16.096 -17.816 9.730 1.00 0.00 N ATOM 0 H LYS A 79 10.978 -17.292 5.677 1.00 0.00 H new ATOM 0 HA LYS A 79 11.364 -17.872 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.860 -14.926 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.371 -16.281 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.292 -16.164 6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.036 -15.088 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.780 -18.076 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.151 -17.382 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.457 -15.836 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.271 -16.827 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.515 -17.555 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.685 -18.769 9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.833 -17.808 8.996 1.00 0.00 H new ATOM 1194 N LEU A 80 8.677 -17.069 7.923 1.00 0.00 N ATOM 1195 CA LEU A 80 7.373 -16.935 8.564 1.00 0.00 C ATOM 1196 C LEU A 80 6.794 -18.303 8.912 1.00 0.00 C ATOM 1197 O LEU A 80 7.440 -19.331 8.709 1.00 0.00 O ATOM 1198 CB LEU A 80 6.409 -16.177 7.651 1.00 0.00 C ATOM 1199 CG LEU A 80 6.749 -14.710 7.384 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.678 -14.062 6.520 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.910 -13.953 8.695 1.00 0.00 C ATOM 0 H LEU A 80 8.654 -17.532 7.015 1.00 0.00 H new ATOM 0 HA LEU A 80 7.506 -16.372 9.488 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.361 -16.698 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.412 -16.224 8.090 1.00 0.00 H new ATOM 0 HG LEU A 80 7.695 -14.669 6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.937 -13.019 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.611 -14.588 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.717 -14.114 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.152 -12.911 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.980 -14.003 9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.714 -14.402 9.278 1.00 0.00 H new ATOM 1213 N SER A 81 5.572 -18.307 9.434 1.00 0.00 N ATOM 1214 CA SER A 81 4.906 -19.548 9.810 1.00 0.00 C ATOM 1215 C SER A 81 3.510 -19.623 9.200 1.00 0.00 C ATOM 1216 O SER A 81 2.868 -18.608 8.930 1.00 0.00 O ATOM 1217 CB SER A 81 4.816 -19.662 11.333 1.00 0.00 C ATOM 1218 OG SER A 81 4.326 -18.461 11.906 1.00 0.00 O ATOM 0 H SER A 81 5.023 -17.465 9.606 1.00 0.00 H new ATOM 0 HA SER A 81 5.497 -20.379 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.160 -20.490 11.601 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.800 -19.889 11.743 1.00 0.00 H new ATOM 0 HG SER A 81 4.276 -18.560 12.880 1.00 0.00 H new ATOM 1224 N PRO A 82 3.028 -20.854 8.976 1.00 0.00 N ATOM 1225 CA PRO A 82 1.703 -21.093 8.395 1.00 0.00 C ATOM 1226 C PRO A 82 0.575 -20.719 9.351 1.00 0.00 C ATOM 1227 O PRO A 82 0.746 -20.750 10.569 1.00 0.00 O ATOM 1228 CB PRO A 82 1.699 -22.600 8.127 1.00 0.00 C ATOM 1229 CG PRO A 82 2.677 -23.160 9.101 1.00 0.00 C ATOM 1230 CD PRO A 82 3.739 -22.109 9.273 1.00 0.00 C ATOM 0 HA PRO A 82 1.534 -20.488 7.504 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.706 -23.026 8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.992 -22.820 7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.195 -23.386 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.106 -24.091 8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.146 -22.111 10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.575 -22.268 8.592 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.576 -20.365 8.790 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.733 -19.988 9.594 1.00 0.00 C ATOM 1240 C ALA A 83 -1.390 -18.848 10.547 1.00 0.00 C ATOM 1241 O ALA A 83 -1.733 -18.891 11.729 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.252 -21.190 10.369 1.00 0.00 C ATOM 0 H ALA A 83 -0.733 -20.331 7.783 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.516 -19.640 8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.115 -20.894 10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.545 -21.974 9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.468 -21.564 11.028 1.00 0.00 H new ATOM 1248 N MET A 84 -0.712 -17.831 10.027 1.00 0.00 N ATOM 1249 CA MET A 84 -0.324 -16.679 10.833 1.00 0.00 C ATOM 1250 C MET A 84 -0.840 -15.384 10.215 1.00 0.00 C ATOM 1251 O MET A 84 -0.202 -14.807 9.336 1.00 0.00 O ATOM 1252 CB MET A 84 1.198 -16.619 10.975 1.00 0.00 C ATOM 1253 CG MET A 84 1.696 -15.350 11.649 1.00 0.00 C ATOM 1254 SD MET A 84 3.425 -15.000 11.278 1.00 0.00 S ATOM 1255 CE MET A 84 3.264 -14.085 9.746 1.00 0.00 C ATOM 0 H MET A 84 -0.420 -17.781 9.051 1.00 0.00 H new ATOM 0 HA MET A 84 -0.770 -16.792 11.821 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.535 -17.482 11.549 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.650 -16.697 9.986 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.082 -14.508 11.329 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.571 -15.443 12.728 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.752 -14.635 8.941 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.208 -13.955 9.509 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.734 -13.108 9.855 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.001 -14.932 10.682 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.583 -13.708 10.163 1.00 0.00 C ATOM 1267 C GLY A 85 -1.701 -12.499 10.403 1.00 0.00 C ATOM 1268 O GLY A 85 -1.405 -12.156 11.548 1.00 0.00 O ATOM 0 H GLY A 85 -2.548 -15.392 11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.759 -13.818 9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.554 -13.544 10.631 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.278 -11.853 9.322 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.422 -10.676 9.421 1.00 0.00 C ATOM 1274 C CYS A 86 -0.976 -9.529 8.583 1.00 0.00 C ATOM 1275 O CYS A 86 -1.386 -9.723 7.438 1.00 0.00 O ATOM 1276 CB CYS A 86 0.999 -11.015 8.968 1.00 0.00 C ATOM 1277 SG CYS A 86 1.076 -12.156 7.568 1.00 0.00 S ATOM 0 H CYS A 86 -1.514 -12.124 8.367 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.398 -10.361 10.464 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.513 -10.092 8.699 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.542 -11.450 9.807 1.00 0.00 H new ATOM 0 HG CYS A 86 1.182 -11.480 6.463 1.00 0.00 H new ATOM 1283 N LYS A 87 -0.987 -8.333 9.161 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.491 -7.153 8.468 1.00 0.00 C ATOM 1285 C LYS A 87 -0.350 -6.367 7.831 1.00 0.00 C ATOM 1286 O LYS A 87 0.803 -6.476 8.250 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.261 -6.256 9.441 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.618 -6.812 9.836 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.603 -5.701 10.159 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.917 -6.257 10.685 1.00 0.00 C ATOM 1291 NZ LYS A 87 -7.051 -5.323 10.442 1.00 0.00 N ATOM 0 H LYS A 87 -0.653 -8.155 10.108 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.164 -7.486 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.662 -6.110 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.398 -5.275 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.012 -7.424 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.507 -7.464 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.167 -5.031 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.790 -5.108 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.125 -7.213 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.828 -6.450 11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.929 -5.738 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.865 -4.419 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.153 -5.159 9.420 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.678 -5.573 6.817 1.00 0.00 N ATOM 1306 CA PHE A 88 0.320 -4.769 6.122 1.00 0.00 C ATOM 1307 C PHE A 88 -0.271 -3.434 5.677 1.00 0.00 C ATOM 1308 O PHE A 88 -1.489 -3.286 5.574 1.00 0.00 O ATOM 1309 CB PHE A 88 0.864 -5.527 4.909 1.00 0.00 C ATOM 1310 CG PHE A 88 1.385 -6.896 5.243 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.540 -7.994 5.233 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.719 -7.084 5.567 1.00 0.00 C ATOM 1313 CE1 PHE A 88 1.016 -9.255 5.539 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.200 -8.343 5.873 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.348 -9.430 5.861 1.00 0.00 C ATOM 0 H PHE A 88 -1.627 -5.469 6.458 1.00 0.00 H new ATOM 0 HA PHE A 88 1.138 -4.573 6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.074 -5.619 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.664 -4.943 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.503 -7.863 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.390 -6.238 5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.347 -10.103 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.242 -8.477 6.122 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.722 -10.414 6.103 1.00 0.00 H new ATOM 1325 N ARG A 89 0.601 -2.465 5.417 1.00 0.00 N ATOM 1326 CA ARG A 89 0.166 -1.142 4.985 1.00 0.00 C ATOM 1327 C ARG A 89 1.229 -0.477 4.116 1.00 0.00 C ATOM 1328 O ARG A 89 2.421 -0.537 4.419 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.139 -0.261 6.199 1.00 0.00 C ATOM 1330 CG ARG A 89 1.072 0.008 7.076 1.00 0.00 C ATOM 1331 CD ARG A 89 0.762 1.033 8.155 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.411 0.661 8.942 1.00 0.00 N ATOM 1333 CZ ARG A 89 -1.029 1.490 9.776 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -0.588 2.731 9.932 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -2.091 1.078 10.457 1.00 0.00 N ATOM 0 H ARG A 89 1.612 -2.571 5.498 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.741 -1.261 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.546 0.690 5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.913 -0.740 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.400 -0.922 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.897 0.365 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.623 1.137 8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.595 2.006 7.693 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.775 -0.287 8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.228 3.052 9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.065 3.365 10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.433 0.124 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.565 1.715 11.097 1.00 0.00 H new ATOM 1349 N LEU A 90 0.789 0.155 3.033 1.00 0.00 N ATOM 1350 CA LEU A 90 1.703 0.831 2.118 1.00 0.00 C ATOM 1351 C LEU A 90 1.479 2.339 2.141 1.00 0.00 C ATOM 1352 O LEU A 90 0.342 2.808 2.203 1.00 0.00 O ATOM 1353 CB LEU A 90 1.518 0.298 0.696 1.00 0.00 C ATOM 1354 CG LEU A 90 2.465 0.867 -0.362 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.817 0.175 -0.295 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.859 0.725 -1.751 1.00 0.00 C ATOM 0 H LEU A 90 -0.194 0.213 2.767 1.00 0.00 H new ATOM 0 HA LEU A 90 2.723 0.629 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.637 -0.785 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.493 0.500 0.384 1.00 0.00 H new ATOM 0 HG LEU A 90 2.612 1.928 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.478 0.593 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.256 0.328 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.689 -0.893 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.546 1.135 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.682 -0.329 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.914 1.267 -1.793 1.00 0.00 H new ATOM 1368 N SER A 91 2.571 3.095 2.088 1.00 0.00 N ATOM 1369 CA SER A 91 2.494 4.551 2.104 1.00 0.00 C ATOM 1370 C SER A 91 3.644 5.165 1.311 1.00 0.00 C ATOM 1371 O SER A 91 4.763 4.654 1.324 1.00 0.00 O ATOM 1372 CB SER A 91 2.520 5.069 3.544 1.00 0.00 C ATOM 1373 OG SER A 91 3.780 4.834 4.148 1.00 0.00 O ATOM 0 H SER A 91 3.519 2.723 2.034 1.00 0.00 H new ATOM 0 HA SER A 91 1.555 4.845 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.302 6.137 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.738 4.579 4.124 1.00 0.00 H new ATOM 0 HG SER A 91 3.657 4.663 5.105 1.00 0.00 H new ATOM 1379 N ALA A 92 3.358 6.264 0.621 1.00 0.00 N ATOM 1380 CA ALA A 92 4.367 6.950 -0.176 1.00 0.00 C ATOM 1381 C ALA A 92 4.863 8.207 0.529 1.00 0.00 C ATOM 1382 O ALA A 92 4.068 9.024 0.994 1.00 0.00 O ATOM 1383 CB ALA A 92 3.809 7.297 -1.549 1.00 0.00 C ATOM 0 H ALA A 92 2.435 6.698 0.598 1.00 0.00 H new ATOM 0 HA ALA A 92 5.215 6.277 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.573 7.809 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.511 6.383 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.942 7.948 -1.436 1.00 0.00 H new ATOM 1389 N ARG A 93 6.182 8.357 0.605 1.00 0.00 N ATOM 1390 CA ARG A 93 6.783 9.514 1.255 1.00 0.00 C ATOM 1391 C ARG A 93 7.729 10.242 0.304 1.00 0.00 C ATOM 1392 O ARG A 93 8.643 9.641 -0.259 1.00 0.00 O ATOM 1393 CB ARG A 93 7.540 9.083 2.513 1.00 0.00 C ATOM 1394 CG ARG A 93 8.480 10.149 3.053 1.00 0.00 C ATOM 1395 CD ARG A 93 9.287 9.633 4.235 1.00 0.00 C ATOM 1396 NE ARG A 93 9.845 10.721 5.033 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.861 11.478 4.634 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.426 11.268 3.453 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.314 12.450 5.417 1.00 0.00 N ATOM 0 H ARG A 93 6.854 7.691 0.224 1.00 0.00 H new ATOM 0 HA ARG A 93 5.982 10.197 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.820 8.819 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.114 8.183 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.157 10.473 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.904 11.023 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.651 9.011 4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.095 8.998 3.873 1.00 0.00 H new ATOM 0 HE ARG A 93 9.432 10.910 5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.081 10.523 2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.206 11.851 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.882 12.616 6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.094 13.031 5.110 1.00 0.00 H new ATOM 1413 N ASN A 94 7.501 11.540 0.129 1.00 0.00 N ATOM 1414 CA ASN A 94 8.332 12.350 -0.755 1.00 0.00 C ATOM 1415 C ASN A 94 9.091 13.412 0.035 1.00 0.00 C ATOM 1416 O ASN A 94 9.026 13.452 1.263 1.00 0.00 O ATOM 1417 CB ASN A 94 7.470 13.015 -1.830 1.00 0.00 C ATOM 1418 CG ASN A 94 6.391 13.902 -1.239 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.315 14.080 -0.023 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.550 14.463 -2.100 1.00 0.00 N ATOM 0 H ASN A 94 6.748 12.053 0.587 1.00 0.00 H new ATOM 0 HA ASN A 94 9.057 11.693 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.106 13.609 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.006 12.246 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.803 15.070 -1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.651 14.287 -3.100 1.00 0.00 H new ATOM 1427 N ASP A 95 9.809 14.271 -0.680 1.00 0.00 N ATOM 1428 CA ASP A 95 10.580 15.335 -0.048 1.00 0.00 C ATOM 1429 C ASP A 95 9.796 15.965 1.100 1.00 0.00 C ATOM 1430 O ASP A 95 10.368 16.337 2.125 1.00 0.00 O ATOM 1431 CB ASP A 95 10.952 16.405 -1.076 1.00 0.00 C ATOM 1432 CG ASP A 95 9.831 17.400 -1.307 1.00 0.00 C ATOM 1433 OD1 ASP A 95 9.592 18.242 -0.416 1.00 0.00 O ATOM 1434 OD2 ASP A 95 9.194 17.337 -2.379 1.00 0.00 O ATOM 0 H ASP A 95 9.873 14.251 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 95 11.493 14.898 0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.842 16.936 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.208 15.924 -2.020 1.00 0.00 H new ATOM 1439 N TYR A 96 8.485 16.083 0.919 1.00 0.00 N ATOM 1440 CA TYR A 96 7.624 16.671 1.938 1.00 0.00 C ATOM 1441 C TYR A 96 7.504 15.750 3.148 1.00 0.00 C ATOM 1442 O TYR A 96 8.022 16.048 4.223 1.00 0.00 O ATOM 1443 CB TYR A 96 6.237 16.956 1.360 1.00 0.00 C ATOM 1444 CG TYR A 96 6.244 17.971 0.239 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.662 17.621 -1.039 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.832 19.280 0.458 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.672 18.545 -2.065 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.836 20.210 -0.563 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.258 19.839 -1.822 1.00 0.00 C ATOM 1450 OH TYR A 96 6.264 20.762 -2.843 1.00 0.00 O ATOM 0 H TYR A 96 7.996 15.779 0.077 1.00 0.00 H new ATOM 0 HA TYR A 96 8.075 17.609 2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.808 16.024 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.587 17.313 2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.985 16.609 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.503 19.575 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.002 18.257 -3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.510 21.223 -0.376 1.00 0.00 H new ATOM 0 HH TYR A 96 6.112 20.306 -3.697 1.00 0.00 H new ATOM 1460 N GLY A 97 6.815 14.628 2.964 1.00 0.00 N ATOM 1461 CA GLY A 97 6.638 13.679 4.047 1.00 0.00 C ATOM 1462 C GLY A 97 5.890 12.435 3.612 1.00 0.00 C ATOM 1463 O GLY A 97 5.657 12.225 2.421 1.00 0.00 O ATOM 0 H GLY A 97 6.376 14.359 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.614 13.394 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.096 14.159 4.861 1.00 0.00 H new ATOM 1467 N THR A 98 5.513 11.604 4.580 1.00 0.00 N ATOM 1468 CA THR A 98 4.790 10.372 4.291 1.00 0.00 C ATOM 1469 C THR A 98 3.289 10.624 4.204 1.00 0.00 C ATOM 1470 O THR A 98 2.692 11.196 5.116 1.00 0.00 O ATOM 1471 CB THR A 98 5.058 9.299 5.362 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.467 9.081 5.496 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.370 7.991 5.001 1.00 0.00 C ATOM 0 H THR A 98 5.697 11.763 5.571 1.00 0.00 H new ATOM 0 HA THR A 98 5.152 10.011 3.328 1.00 0.00 H new ATOM 0 HB THR A 98 4.654 9.655 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.629 8.398 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.574 7.248 5.772 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.295 8.153 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.748 7.633 4.043 1.00 0.00 H new ATOM 1481 N SER A 99 2.684 10.192 3.102 1.00 0.00 N ATOM 1482 CA SER A 99 1.252 10.373 2.895 1.00 0.00 C ATOM 1483 C SER A 99 0.456 9.299 3.630 1.00 0.00 C ATOM 1484 O SER A 99 0.975 8.226 3.935 1.00 0.00 O ATOM 1485 CB SER A 99 0.922 10.335 1.401 1.00 0.00 C ATOM 1486 OG SER A 99 1.435 9.161 0.796 1.00 0.00 O ATOM 0 H SER A 99 3.163 9.714 2.339 1.00 0.00 H new ATOM 0 HA SER A 99 0.973 11.347 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.158 10.377 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.341 11.214 0.910 1.00 0.00 H new ATOM 0 HG SER A 99 2.415 9.184 0.817 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.808 9.597 3.913 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.656 8.649 4.611 1.00 0.00 C ATOM 1494 C GLY A 100 -1.363 7.213 4.221 1.00 0.00 C ATOM 1495 O GLY A 100 -1.036 6.930 3.068 1.00 0.00 O ATOM 0 H GLY A 100 -1.260 10.479 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.518 8.766 5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.701 8.875 4.397 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.479 6.305 5.184 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.221 4.891 4.936 1.00 0.00 C ATOM 1501 C PHE A 101 -2.454 4.208 4.352 1.00 0.00 C ATOM 1502 O PHE A 101 -3.572 4.410 4.826 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.802 4.193 6.231 1.00 0.00 C ATOM 1504 CG PHE A 101 0.511 4.677 6.776 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.604 5.908 7.404 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.653 3.901 6.659 1.00 0.00 C ATOM 1507 CE1 PHE A 101 1.811 6.357 7.907 1.00 0.00 C ATOM 1508 CE2 PHE A 101 2.862 4.343 7.160 1.00 0.00 C ATOM 1509 CZ PHE A 101 2.942 5.573 7.784 1.00 0.00 C ATOM 0 H PHE A 101 -1.750 6.523 6.143 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.409 4.816 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.576 4.345 6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.738 3.120 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.277 6.525 7.502 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.597 2.939 6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.870 7.319 8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.744 3.727 7.064 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.887 5.921 8.175 1.00 0.00 H new ATOM 1519 N SER A 102 -2.241 3.399 3.319 1.00 0.00 N ATOM 1520 CA SER A 102 -3.335 2.688 2.667 1.00 0.00 C ATOM 1521 C SER A 102 -4.209 1.975 3.694 1.00 0.00 C ATOM 1522 O SER A 102 -3.879 1.927 4.878 1.00 0.00 O ATOM 1523 CB SER A 102 -2.785 1.677 1.659 1.00 0.00 C ATOM 1524 OG SER A 102 -2.136 0.603 2.316 1.00 0.00 O ATOM 0 H SER A 102 -1.321 3.220 2.916 1.00 0.00 H new ATOM 0 HA SER A 102 -3.948 3.420 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.599 1.293 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.084 2.173 0.987 1.00 0.00 H new ATOM 0 HG SER A 102 -2.582 -0.239 2.086 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.325 1.422 3.230 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.248 0.712 4.109 1.00 0.00 C ATOM 1532 C GLU A 103 -5.609 -0.564 4.650 1.00 0.00 C ATOM 1533 O GLU A 103 -5.173 -1.424 3.886 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.539 0.372 3.361 1.00 0.00 C ATOM 1535 CG GLU A 103 -7.306 -0.216 1.980 1.00 0.00 C ATOM 1536 CD GLU A 103 -8.524 -0.942 1.442 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -9.093 -1.772 2.182 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -8.907 -0.682 0.283 1.00 0.00 O ATOM 0 H GLU A 103 -5.612 1.452 2.252 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.485 1.364 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.117 -0.336 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.142 1.275 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.030 0.582 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.464 -0.907 2.021 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.559 -0.678 5.973 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.973 -1.848 6.617 1.00 0.00 C ATOM 1547 C GLU A 104 -5.556 -3.136 6.040 1.00 0.00 C ATOM 1548 O GLU A 104 -6.773 -3.316 5.998 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.212 -1.800 8.128 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.586 -0.592 8.804 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.176 -0.321 10.175 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -5.708 -1.269 10.789 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.105 0.838 10.633 1.00 0.00 O ATOM 0 H GLU A 104 -5.917 0.025 6.620 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.900 -1.837 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.285 -1.797 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.811 -2.707 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.512 -0.750 8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.725 0.286 8.173 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.677 -4.028 5.595 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.102 -5.299 5.020 1.00 0.00 C ATOM 1562 C VAL A 105 -4.728 -6.465 5.928 1.00 0.00 C ATOM 1563 O VAL A 105 -3.790 -6.373 6.721 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.478 -5.524 3.631 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.259 -4.770 2.565 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -3.016 -5.103 3.630 1.00 0.00 C ATOM 0 H VAL A 105 -3.666 -3.894 5.622 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.186 -5.254 4.919 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.527 -6.588 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.803 -4.941 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.290 -5.124 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.245 -3.704 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.590 -5.269 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.942 -4.046 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.467 -5.692 4.364 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.468 -7.562 5.808 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.214 -8.749 6.617 1.00 0.00 C ATOM 1578 C LEU A 106 -5.004 -9.975 5.735 1.00 0.00 C ATOM 1579 O LEU A 106 -5.870 -10.334 4.938 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.378 -8.992 7.580 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.274 -10.240 8.457 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.079 -10.137 9.393 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.557 -10.445 9.248 1.00 0.00 C ATOM 0 H LEU A 106 -6.249 -7.654 5.158 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.304 -8.579 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.473 -8.122 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.297 -9.057 6.998 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.129 -11.104 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.021 -11.034 10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.165 -10.040 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.193 -9.263 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.464 -11.338 9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.734 -9.579 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.394 -10.566 8.560 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.850 -10.615 5.886 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.526 -11.801 5.103 1.00 0.00 C ATOM 1597 C TYR A 107 -3.165 -12.972 6.012 1.00 0.00 C ATOM 1598 O TYR A 107 -2.704 -12.780 7.138 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.368 -11.507 4.148 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.788 -10.776 2.893 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.535 -11.414 1.911 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.439 -9.447 2.690 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.922 -10.750 0.762 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.822 -8.774 1.545 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.563 -9.430 0.585 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.945 -8.764 -0.557 1.00 0.00 O ATOM 0 H TYR A 107 -3.123 -10.332 6.544 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.407 -12.073 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.619 -10.913 4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.891 -12.447 3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.818 -12.447 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -1.858 -8.930 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.502 -11.261 0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.542 -7.740 1.403 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.843 -7.799 -0.422 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.377 -14.186 5.515 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.076 -15.389 6.281 1.00 0.00 C ATOM 1618 C TYR A 108 -2.199 -16.343 5.476 1.00 0.00 C ATOM 1619 O TYR A 108 -2.647 -16.945 4.500 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.370 -16.093 6.693 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.891 -15.660 8.045 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.604 -14.476 8.189 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.670 -16.434 9.177 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.082 -14.076 9.422 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.146 -16.042 10.414 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.851 -14.863 10.531 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.324 -14.468 11.761 1.00 0.00 O ATOM 0 H TYR A 108 -3.756 -14.362 4.585 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.530 -15.092 7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.134 -15.900 5.940 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.200 -17.170 6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.788 -13.858 7.322 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.117 -17.358 9.089 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.633 -13.152 9.517 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.967 -16.656 11.284 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.077 -15.134 12.436 1.00 0.00 H new ATOM 1637 N THR A 109 -0.944 -16.477 5.893 1.00 0.00 N ATOM 1638 CA THR A 109 -0.002 -17.356 5.212 1.00 0.00 C ATOM 1639 C THR A 109 -0.684 -18.636 4.744 1.00 0.00 C ATOM 1640 O THR A 109 -1.677 -19.071 5.328 1.00 0.00 O ATOM 1641 CB THR A 109 1.184 -17.724 6.125 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.702 -18.292 7.348 1.00 0.00 O ATOM 1643 CG2 THR A 109 2.033 -16.499 6.429 1.00 0.00 C ATOM 0 H THR A 109 -0.556 -15.988 6.700 1.00 0.00 H new ATOM 0 HA THR A 109 0.371 -16.809 4.346 1.00 0.00 H new ATOM 0 HB THR A 109 1.803 -18.455 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.431 -18.327 8.002 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.864 -16.783 7.075 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.422 -16.086 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.423 -15.749 6.932 1.00 0.00 H new ATOM 1651 N SER A 110 -0.145 -19.236 3.688 1.00 0.00 N ATOM 1652 CA SER A 110 -0.705 -20.466 3.139 1.00 0.00 C ATOM 1653 C SER A 110 -0.991 -21.474 4.248 1.00 0.00 C ATOM 1654 O SER A 110 -0.310 -21.497 5.272 1.00 0.00 O ATOM 1655 CB SER A 110 0.254 -21.075 2.115 1.00 0.00 C ATOM 1656 OG SER A 110 -0.010 -20.582 0.813 1.00 0.00 O ATOM 0 H SER A 110 0.679 -18.891 3.195 1.00 0.00 H new ATOM 0 HA SER A 110 -1.645 -20.220 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.282 -20.844 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.158 -22.161 2.123 1.00 0.00 H new ATOM 0 HG SER A 110 0.604 -19.845 0.611 1.00 0.00 H new ATOM 1662 N GLY A 111 -2.005 -22.308 4.034 1.00 0.00 N ATOM 1663 CA GLY A 111 -2.365 -23.307 5.023 1.00 0.00 C ATOM 1664 C GLY A 111 -3.682 -23.988 4.707 1.00 0.00 C ATOM 1665 O GLY A 111 -3.961 -24.308 3.551 1.00 0.00 O ATOM 0 H GLY A 111 -2.583 -22.309 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.576 -24.057 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.429 -22.836 6.004 1.00 0.00 H new ATOM 1669 N CYS A 112 -4.492 -24.211 5.735 1.00 0.00 N ATOM 1670 CA CYS A 112 -5.786 -24.861 5.562 1.00 0.00 C ATOM 1671 C CYS A 112 -6.853 -23.849 5.158 1.00 0.00 C ATOM 1672 O CYS A 112 -7.250 -22.999 5.956 1.00 0.00 O ATOM 1673 CB CYS A 112 -6.201 -25.571 6.851 1.00 0.00 C ATOM 1674 SG CYS A 112 -7.257 -27.016 6.592 1.00 0.00 S ATOM 0 H CYS A 112 -4.276 -23.951 6.697 1.00 0.00 H new ATOM 0 HA CYS A 112 -5.690 -25.599 4.765 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -5.304 -25.881 7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -6.725 -24.861 7.491 1.00 0.00 H new ATOM 0 HG CYS A 112 -8.295 -26.674 5.888 1.00 0.00 H new ATOM 1680 N SER A 113 -7.313 -23.945 3.915 1.00 0.00 N ATOM 1681 CA SER A 113 -8.330 -23.034 3.403 1.00 0.00 C ATOM 1682 C SER A 113 -9.731 -23.572 3.682 1.00 0.00 C ATOM 1683 O SER A 113 -10.556 -22.897 4.296 1.00 0.00 O ATOM 1684 CB SER A 113 -8.144 -22.820 1.900 1.00 0.00 C ATOM 1685 OG SER A 113 -8.980 -21.778 1.426 1.00 0.00 O ATOM 0 H SER A 113 -6.997 -24.645 3.243 1.00 0.00 H new ATOM 0 HA SER A 113 -8.217 -22.078 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.102 -22.579 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.371 -23.743 1.367 1.00 0.00 H new ATOM 0 HG SER A 113 -8.841 -21.660 0.463 1.00 0.00 H new ATOM 1691 N GLY A 114 -9.991 -24.793 3.225 1.00 0.00 N ATOM 1692 CA GLY A 114 -11.291 -25.402 3.434 1.00 0.00 C ATOM 1693 C GLY A 114 -11.310 -26.335 4.628 1.00 0.00 C ATOM 1694 O GLY A 114 -10.360 -27.079 4.876 1.00 0.00 O ATOM 0 H GLY A 114 -9.324 -25.371 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.036 -24.620 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.577 -25.956 2.540 1.00 0.00 H new ATOM 1698 N PRO A 115 -12.411 -26.302 5.393 1.00 0.00 N ATOM 1699 CA PRO A 115 -12.575 -27.145 6.582 1.00 0.00 C ATOM 1700 C PRO A 115 -12.745 -28.618 6.228 1.00 0.00 C ATOM 1701 O PRO A 115 -13.854 -29.076 5.953 1.00 0.00 O ATOM 1702 CB PRO A 115 -13.850 -26.599 7.230 1.00 0.00 C ATOM 1703 CG PRO A 115 -14.612 -25.983 6.108 1.00 0.00 C ATOM 1704 CD PRO A 115 -13.581 -25.440 5.157 1.00 0.00 C ATOM 0 HA PRO A 115 -11.701 -27.108 7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.423 -27.394 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.619 -25.865 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -15.247 -26.720 5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -15.266 -25.189 6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -13.919 -25.496 4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.357 -24.393 5.362 1.00 0.00 H new ATOM 1712 N SER A 116 -11.640 -29.356 6.238 1.00 0.00 N ATOM 1713 CA SER A 116 -11.667 -30.778 5.916 1.00 0.00 C ATOM 1714 C SER A 116 -12.542 -31.543 6.905 1.00 0.00 C ATOM 1715 O SER A 116 -12.483 -31.309 8.112 1.00 0.00 O ATOM 1716 CB SER A 116 -10.249 -31.351 5.922 1.00 0.00 C ATOM 1717 OG SER A 116 -9.627 -31.189 4.659 1.00 0.00 O ATOM 0 H SER A 116 -10.714 -28.993 6.466 1.00 0.00 H new ATOM 0 HA SER A 116 -12.092 -30.891 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.656 -30.853 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.282 -32.409 6.181 1.00 0.00 H new ATOM 0 HG SER A 116 -8.721 -31.562 4.690 1.00 0.00 H new ATOM 1723 N SER A 117 -13.352 -32.458 6.383 1.00 0.00 N ATOM 1724 CA SER A 117 -14.242 -33.256 7.218 1.00 0.00 C ATOM 1725 C SER A 117 -14.179 -34.729 6.827 1.00 0.00 C ATOM 1726 O SER A 117 -13.915 -35.066 5.674 1.00 0.00 O ATOM 1727 CB SER A 117 -15.680 -32.746 7.100 1.00 0.00 C ATOM 1728 OG SER A 117 -16.164 -32.888 5.776 1.00 0.00 O ATOM 0 H SER A 117 -13.410 -32.665 5.386 1.00 0.00 H new ATOM 0 HA SER A 117 -13.913 -33.159 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.322 -33.298 7.787 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.723 -31.698 7.396 1.00 0.00 H new ATOM 0 HG SER A 117 -17.085 -32.557 5.727 1.00 0.00 H new ATOM 1734 N GLY A 118 -14.425 -35.604 7.798 1.00 0.00 N ATOM 1735 CA GLY A 118 -14.392 -37.031 7.536 1.00 0.00 C ATOM 1736 C GLY A 118 -15.778 -37.628 7.399 1.00 0.00 C ATOM 1737 O GLY A 118 -15.951 -38.843 7.500 1.00 0.00 O ATOM 0 H GLY A 118 -14.646 -35.350 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.828 -37.216 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.862 -37.534 8.345 1.00 0.00 H new TER 1741 GLY A 118