USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 395 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 14 CYS SG : rot 165:sc= 0.123! USER MOD Set 1.2: A 23 CYS SG : rot 96:sc= -0.153! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -1.16 K(o=-4.1,f=-5!) USER MOD Set 2.2: A 26 CYS SG : rot -153:sc= -2.94! USER MOD Set 3.1: A 7 THR OG1 : rot -12:sc= 1.13 USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 GLY N :NH3+ 160:sc= -0.208 (180deg=-0.974) USER MOD Set 4.2: A 9 MET CE :methyl -129:sc= -0.0528 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 5 MET CE :methyl -165:sc= -0.0715 (180deg=-0.469) USER MOD Single : A 11 GLN : amide:sc= -0.0896 K(o=-0.09,f=-0.94) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0.0357 (180deg=0.0357) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0243 K(o=-0.024,f=-2.1!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.8) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.995 -45.287 -25.898 1.00100.00 N ATOM 2 CA GLY A 1 -26.669 -44.503 -24.850 1.00100.00 C ATOM 3 C GLY A 1 -27.757 -43.715 -25.489 1.00100.00 C ATOM 4 O GLY A 1 -27.509 -42.929 -26.404 1.00100.00 O ATOM 0 H1 GLY A 1 -25.051 -45.572 -25.566 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.557 -46.135 -26.112 1.00100.00 H new ATOM 0 H3 GLY A 1 -25.900 -44.709 -26.757 1.00100.00 H new ATOM 0 HA2 GLY A 1 -27.077 -45.163 -24.084 1.00100.00 H new ATOM 0 HA3 GLY A 1 -25.959 -43.840 -24.355 1.00100.00 H new ATOM 10 N SER A 2 -29.004 -44.119 -25.163 1.00100.00 N ATOM 11 CA SER A 2 -30.211 -43.495 -25.651 1.00100.00 C ATOM 12 C SER A 2 -30.276 -42.065 -25.181 1.00100.00 C ATOM 13 O SER A 2 -30.606 -41.166 -25.955 1.00100.00 O ATOM 14 CB SER A 2 -31.469 -44.269 -25.199 1.00100.00 C ATOM 15 OG SER A 2 -31.531 -44.320 -23.791 1.00100.00 O ATOM 0 H SER A 2 -29.182 -44.906 -24.539 1.00100.00 H new ATOM 0 HA SER A 2 -30.186 -43.513 -26.741 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.363 -43.785 -25.592 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.448 -45.280 -25.606 1.00100.00 H new ATOM 0 HG SER A 2 -32.333 -44.811 -23.516 1.00100.00 H new ATOM 21 N THR A 3 -29.938 -41.847 -23.889 1.00100.00 N ATOM 22 CA THR A 3 -29.906 -40.550 -23.271 1.00100.00 C ATOM 23 C THR A 3 -28.577 -39.901 -23.594 1.00100.00 C ATOM 24 O THR A 3 -27.658 -40.559 -24.097 1.00100.00 O ATOM 25 CB THR A 3 -30.199 -40.604 -21.774 1.00100.00 C ATOM 26 OG1 THR A 3 -30.336 -39.297 -21.261 1.00100.00 O ATOM 27 CG2 THR A 3 -29.065 -41.318 -21.039 1.00100.00 C ATOM 0 H THR A 3 -29.678 -42.601 -23.254 1.00100.00 H new ATOM 0 HA THR A 3 -30.708 -39.935 -23.679 1.00100.00 H new ATOM 0 HB THR A 3 -31.128 -41.153 -21.623 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.526 -39.341 -20.300 1.00100.00 H new ATOM 0 HG21 THR A 3 -29.286 -41.350 -19.972 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.968 -42.335 -21.420 1.00100.00 H new ATOM 0 HG23 THR A 3 -28.131 -40.779 -21.200 1.00100.00 H new ATOM 35 N ALA A 4 -28.460 -38.579 -23.327 1.00100.00 N ATOM 36 CA ALA A 4 -27.238 -37.878 -23.604 1.00100.00 C ATOM 37 C ALA A 4 -26.322 -38.116 -22.448 1.00100.00 C ATOM 38 O ALA A 4 -26.586 -37.705 -21.314 1.00100.00 O ATOM 39 CB ALA A 4 -27.408 -36.357 -23.789 1.00100.00 C ATOM 0 H ALA A 4 -29.201 -38.005 -22.925 1.00100.00 H new ATOM 0 HA ALA A 4 -26.849 -38.257 -24.549 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.438 -35.905 -23.994 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.082 -36.165 -24.624 1.00100.00 H new ATOM 0 HB3 ALA A 4 -27.825 -35.924 -22.880 1.00100.00 H new ATOM 45 N MET A 5 -25.218 -38.831 -22.746 1.00100.00 N ATOM 46 CA MET A 5 -24.226 -39.155 -21.767 1.00100.00 C ATOM 47 C MET A 5 -23.133 -38.197 -22.103 1.00100.00 C ATOM 48 O MET A 5 -22.511 -38.309 -23.161 1.00100.00 O ATOM 49 CB MET A 5 -23.665 -40.589 -21.923 1.00100.00 C ATOM 50 CG MET A 5 -24.775 -41.621 -21.724 1.00100.00 C ATOM 51 SD MET A 5 -25.591 -41.547 -20.110 1.00100.00 S ATOM 52 CE MET A 5 -24.162 -41.854 -19.039 1.00100.00 C ATOM 0 H MET A 5 -25.013 -39.188 -23.679 1.00100.00 H new ATOM 0 HA MET A 5 -24.628 -39.097 -20.756 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.223 -40.708 -22.912 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.870 -40.756 -21.196 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.525 -41.483 -22.503 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.355 -42.618 -21.859 1.00100.00 H new ATOM 0 HE1 MET A 5 -24.507 -42.108 -18.037 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.576 -42.680 -19.442 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.542 -40.958 -18.994 1.00100.00 H new ATOM 62 N ALA A 6 -22.959 -37.171 -21.232 1.00100.00 N ATOM 63 CA ALA A 6 -21.983 -36.113 -21.373 1.00100.00 C ATOM 64 C ALA A 6 -22.053 -35.454 -22.730 1.00100.00 C ATOM 65 O ALA A 6 -21.041 -35.264 -23.410 1.00100.00 O ATOM 66 CB ALA A 6 -20.529 -36.509 -21.015 1.00100.00 C ATOM 0 H ALA A 6 -23.525 -37.074 -20.389 1.00100.00 H new ATOM 0 HA ALA A 6 -22.272 -35.383 -20.617 1.00100.00 H new ATOM 0 HB1 ALA A 6 -19.873 -35.649 -21.153 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.486 -36.835 -19.976 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.203 -37.322 -21.664 1.00100.00 H new ATOM 72 N THR A 7 -23.303 -35.134 -23.148 1.00100.00 N ATOM 73 CA THR A 7 -23.695 -34.499 -24.386 1.00100.00 C ATOM 74 C THR A 7 -23.570 -35.348 -25.619 1.00100.00 C ATOM 75 O THR A 7 -24.568 -35.503 -26.328 1.00100.00 O ATOM 76 CB THR A 7 -23.164 -33.089 -24.653 1.00100.00 C ATOM 77 OG1 THR A 7 -21.769 -33.109 -24.859 1.00100.00 O ATOM 78 CG2 THR A 7 -23.488 -32.177 -23.471 1.00100.00 C ATOM 0 H THR A 7 -24.114 -35.339 -22.564 1.00100.00 H new ATOM 0 HA THR A 7 -24.757 -34.373 -24.176 1.00100.00 H new ATOM 0 HB THR A 7 -23.647 -32.709 -25.553 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.412 -33.983 -24.597 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.107 -31.175 -23.669 1.00100.00 H new ATOM 0 HG22 THR A 7 -24.568 -32.133 -23.331 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.021 -32.571 -22.569 1.00100.00 H new ATOM 86 N THR A 8 -22.380 -35.939 -25.892 1.00100.00 N ATOM 87 CA THR A 8 -22.208 -36.732 -27.085 1.00100.00 C ATOM 88 C THR A 8 -21.892 -38.160 -26.707 1.00100.00 C ATOM 89 O THR A 8 -21.150 -38.427 -25.759 1.00100.00 O ATOM 90 CB THR A 8 -21.123 -36.175 -27.982 1.00100.00 C ATOM 91 OG1 THR A 8 -21.418 -34.826 -28.275 1.00100.00 O ATOM 92 CG2 THR A 8 -21.056 -36.958 -29.292 1.00100.00 C ATOM 0 H THR A 8 -21.552 -35.870 -25.300 1.00100.00 H new ATOM 0 HA THR A 8 -23.142 -36.700 -27.646 1.00100.00 H new ATOM 0 HB THR A 8 -20.165 -36.257 -27.469 1.00100.00 H new ATOM 0 HG1 THR A 8 -20.719 -34.457 -28.854 1.00100.00 H new ATOM 0 HG21 THR A 8 -20.271 -36.543 -29.924 1.00100.00 H new ATOM 0 HG22 THR A 8 -20.836 -38.004 -29.080 1.00100.00 H new ATOM 0 HG23 THR A 8 -22.013 -36.886 -29.808 1.00100.00 H new ATOM 100 N MET A 9 -22.487 -39.102 -27.475 1.00100.00 N ATOM 101 CA MET A 9 -22.345 -40.523 -27.298 1.00100.00 C ATOM 102 C MET A 9 -21.404 -41.150 -28.306 1.00100.00 C ATOM 103 O MET A 9 -20.949 -40.498 -29.247 1.00100.00 O ATOM 104 CB MET A 9 -23.732 -41.232 -27.325 1.00100.00 C ATOM 105 CG MET A 9 -23.655 -42.677 -26.834 1.00100.00 C ATOM 106 SD MET A 9 -23.070 -42.845 -25.130 1.00100.00 S ATOM 107 CE MET A 9 -22.645 -44.603 -25.157 1.00100.00 C ATOM 0 H MET A 9 -23.096 -38.860 -28.257 1.00100.00 H new ATOM 0 HA MET A 9 -21.896 -40.668 -26.315 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.434 -40.676 -26.703 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.126 -41.217 -28.341 1.00100.00 H new ATOM 0 HG2 MET A 9 -24.643 -43.130 -26.914 1.00100.00 H new ATOM 0 HG3 MET A 9 -22.992 -43.239 -27.492 1.00100.00 H new ATOM 0 HE1 MET A 9 -23.112 -45.103 -24.309 1.00100.00 H new ATOM 0 HE2 MET A 9 -23.004 -45.050 -26.084 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.563 -44.717 -25.094 1.00100.00 H new ATOM 117 N GLU A 10 -20.837 -42.306 -27.871 1.00100.00 N ATOM 118 CA GLU A 10 -19.910 -43.200 -28.538 1.00100.00 C ATOM 119 C GLU A 10 -18.484 -42.757 -28.580 1.00100.00 C ATOM 120 O GLU A 10 -17.615 -43.523 -29.001 1.00100.00 O ATOM 121 CB GLU A 10 -20.351 -43.650 -29.954 1.00100.00 C ATOM 122 CG GLU A 10 -21.730 -44.304 -29.900 1.00100.00 C ATOM 123 CD GLU A 10 -22.144 -44.800 -31.278 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.658 -43.964 -32.050 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.936 -46.006 -31.534 1.00100.00 O ATOM 0 H GLU A 10 -21.057 -42.654 -26.938 1.00100.00 H new ATOM 0 HA GLU A 10 -19.953 -44.061 -27.871 1.00100.00 H new ATOM 0 HB2 GLU A 10 -20.375 -42.791 -30.624 1.00100.00 H new ATOM 0 HB3 GLU A 10 -19.624 -44.352 -30.362 1.00100.00 H new ATOM 0 HG2 GLU A 10 -21.716 -45.137 -29.197 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.464 -43.588 -29.530 1.00100.00 H new ATOM 132 N GLN A 11 -18.205 -41.534 -28.092 1.00100.00 N ATOM 133 CA GLN A 11 -16.868 -41.033 -28.050 1.00100.00 C ATOM 134 C GLN A 11 -16.227 -41.237 -26.689 1.00100.00 C ATOM 135 O GLN A 11 -15.097 -40.815 -26.469 1.00100.00 O ATOM 136 CB GLN A 11 -16.758 -39.644 -28.727 1.00100.00 C ATOM 137 CG GLN A 11 -17.645 -38.575 -28.101 1.00100.00 C ATOM 138 CD GLN A 11 -17.518 -37.279 -28.896 1.00100.00 C ATOM 139 OE1 GLN A 11 -17.961 -37.214 -30.039 1.00100.00 O ATOM 140 NE2 GLN A 11 -16.903 -36.254 -28.301 1.00100.00 N ATOM 0 H GLN A 11 -18.908 -40.892 -27.726 1.00100.00 H new ATOM 0 HA GLN A 11 -16.217 -41.638 -28.682 1.00100.00 H new ATOM 0 HB2 GLN A 11 -15.721 -39.312 -28.683 1.00100.00 H new ATOM 0 HB3 GLN A 11 -17.017 -39.744 -29.781 1.00100.00 H new ATOM 0 HG2 GLN A 11 -18.683 -38.908 -28.092 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.354 -38.408 -27.064 1.00100.00 H new ATOM 0 HE21 GLN A 11 -16.551 -36.354 -27.349 1.00100.00 H new ATOM 0 HE22 GLN A 11 -16.786 -35.371 -28.798 1.00100.00 H new ATOM 149 N GLU A 12 -16.950 -41.924 -25.759 1.00100.00 N ATOM 150 CA GLU A 12 -16.570 -42.309 -24.407 1.00100.00 C ATOM 151 C GLU A 12 -16.391 -41.192 -23.416 1.00100.00 C ATOM 152 O GLU A 12 -16.463 -40.036 -23.814 1.00100.00 O ATOM 153 CB GLU A 12 -15.486 -43.395 -24.317 1.00100.00 C ATOM 154 CG GLU A 12 -15.952 -44.681 -24.994 1.00100.00 C ATOM 155 CD GLU A 12 -14.963 -45.822 -24.781 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.930 -45.578 -24.119 1.00100.00 O ATOM 157 OE2 GLU A 12 -15.262 -46.927 -25.283 1.00100.00 O ATOM 0 H GLU A 12 -17.895 -42.241 -25.976 1.00100.00 H new ATOM 0 HA GLU A 12 -17.483 -42.796 -24.065 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.570 -43.041 -24.789 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.249 -43.594 -23.272 1.00100.00 H new ATOM 0 HG2 GLU A 12 -16.927 -44.967 -24.600 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.079 -44.504 -26.062 1.00100.00 H new ATOM 164 N ILE A 13 -16.238 -41.480 -22.084 1.00100.00 N ATOM 165 CA ILE A 13 -16.095 -40.413 -21.100 1.00100.00 C ATOM 166 C ILE A 13 -15.112 -40.838 -20.013 1.00100.00 C ATOM 167 O ILE A 13 -15.290 -41.910 -19.427 1.00100.00 O ATOM 168 CB ILE A 13 -17.407 -40.198 -20.323 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.558 -39.905 -21.294 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.233 -39.019 -19.356 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.910 -39.886 -20.581 1.00100.00 C ATOM 0 H ILE A 13 -16.214 -42.424 -21.698 1.00100.00 H new ATOM 0 HA ILE A 13 -15.783 -39.526 -21.652 1.00100.00 H new ATOM 0 HB ILE A 13 -17.644 -41.103 -19.763 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.389 -38.943 -21.779 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.572 -40.660 -22.080 1.00100.00 H new ATOM 0 HG21 ILE A 13 -18.159 -38.862 -18.803 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.426 -39.238 -18.657 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.990 -38.118 -19.920 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.699 -39.675 -21.303 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.091 -40.856 -20.118 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.905 -39.113 -19.813 1.00100.00 H new ATOM 183 N CYS A 14 -14.063 -40.016 -19.716 1.00100.00 N ATOM 184 CA CYS A 14 -13.117 -40.289 -18.646 1.00100.00 C ATOM 185 C CYS A 14 -13.048 -39.061 -17.738 1.00100.00 C ATOM 186 O CYS A 14 -14.067 -38.701 -17.149 1.00100.00 O ATOM 187 CB CYS A 14 -11.710 -40.760 -19.074 1.00100.00 C ATOM 188 SG CYS A 14 -10.694 -40.993 -17.588 1.00100.00 S ATOM 0 H CYS A 14 -13.869 -39.153 -20.224 1.00100.00 H new ATOM 0 HA CYS A 14 -13.504 -41.158 -18.115 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.778 -41.692 -19.634 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.250 -40.024 -19.734 1.00100.00 H new ATOM 0 HG CYS A 14 -9.635 -41.683 -17.890 1.00100.00 H new ATOM 194 N ALA A 15 -11.867 -38.372 -17.618 1.00100.00 N ATOM 195 CA ALA A 15 -11.680 -37.199 -16.802 1.00100.00 C ATOM 196 C ALA A 15 -11.803 -35.868 -17.518 1.00100.00 C ATOM 197 O ALA A 15 -12.794 -35.192 -17.263 1.00100.00 O ATOM 198 CB ALA A 15 -10.334 -37.210 -16.062 1.00100.00 C ATOM 0 H ALA A 15 -11.019 -38.652 -18.112 1.00100.00 H new ATOM 0 HA ALA A 15 -12.514 -37.270 -16.104 1.00100.00 H new ATOM 0 HB1 ALA A 15 -10.242 -36.305 -15.461 1.00100.00 H new ATOM 0 HB2 ALA A 15 -10.283 -38.084 -15.412 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.521 -37.249 -16.787 1.00100.00 H new ATOM 204 N HIS A 16 -10.854 -35.418 -18.409 1.00100.00 N ATOM 205 CA HIS A 16 -11.052 -34.136 -19.081 1.00100.00 C ATOM 206 C HIS A 16 -10.679 -33.872 -20.531 1.00100.00 C ATOM 207 O HIS A 16 -9.560 -33.484 -20.861 1.00100.00 O ATOM 208 CB HIS A 16 -10.641 -32.877 -18.260 1.00100.00 C ATOM 209 CG HIS A 16 -9.193 -32.793 -17.869 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.647 -33.267 -16.699 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.215 -32.107 -18.538 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.360 -32.872 -16.673 1.00100.00 C ATOM 213 NE2 HIS A 16 -7.050 -32.164 -17.770 1.00100.00 N ATOM 0 H HIS A 16 -9.996 -35.913 -18.652 1.00100.00 H new ATOM 0 HA HIS A 16 -12.127 -34.310 -19.136 1.00100.00 H new ATOM 0 HB2 HIS A 16 -10.892 -31.990 -18.841 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.245 -32.845 -17.353 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.325 -31.610 -19.491 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.668 -33.096 -15.874 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.146 -31.751 -17.997 1.00100.00 H new ATOM 221 N SER A 17 -11.664 -34.054 -21.434 1.00100.00 N ATOM 222 CA SER A 17 -11.604 -33.805 -22.853 1.00100.00 C ATOM 223 C SER A 17 -10.495 -34.342 -23.742 1.00100.00 C ATOM 224 O SER A 17 -9.884 -33.564 -24.483 1.00100.00 O ATOM 225 CB SER A 17 -11.865 -32.298 -23.112 1.00100.00 C ATOM 226 OG SER A 17 -13.126 -31.935 -22.595 1.00100.00 O ATOM 0 H SER A 17 -12.579 -34.404 -21.151 1.00100.00 H new ATOM 0 HA SER A 17 -12.388 -34.477 -23.203 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.084 -31.699 -22.644 1.00100.00 H new ATOM 0 HB3 SER A 17 -11.827 -32.092 -24.182 1.00100.00 H new ATOM 0 HG SER A 17 -13.285 -30.982 -22.760 1.00100.00 H new ATOM 232 N MET A 18 -10.191 -35.671 -23.705 1.00100.00 N ATOM 233 CA MET A 18 -9.147 -36.193 -24.571 1.00100.00 C ATOM 234 C MET A 18 -9.368 -37.397 -25.450 1.00100.00 C ATOM 235 O MET A 18 -10.110 -37.282 -26.415 1.00100.00 O ATOM 236 CB MET A 18 -7.711 -36.236 -23.999 1.00100.00 C ATOM 237 CG MET A 18 -6.945 -34.923 -24.167 1.00100.00 C ATOM 238 SD MET A 18 -7.404 -33.573 -23.053 1.00100.00 S ATOM 239 CE MET A 18 -6.281 -32.304 -23.689 1.00100.00 C ATOM 0 H MET A 18 -10.645 -36.359 -23.104 1.00100.00 H new ATOM 0 HA MET A 18 -9.261 -35.354 -25.257 1.00100.00 H new ATOM 0 HB2 MET A 18 -7.758 -36.486 -22.939 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.157 -37.036 -24.491 1.00100.00 H new ATOM 0 HG2 MET A 18 -5.883 -35.128 -24.035 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.078 -34.579 -25.193 1.00100.00 H new ATOM 0 HE1 MET A 18 -6.415 -31.382 -23.123 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.251 -32.646 -23.587 1.00100.00 H new ATOM 0 HE3 MET A 18 -6.500 -32.119 -24.741 1.00100.00 H new ATOM 249 N THR A 19 -8.664 -38.541 -25.220 1.00100.00 N ATOM 250 CA THR A 19 -8.745 -39.717 -26.058 1.00100.00 C ATOM 251 C THR A 19 -8.705 -40.962 -25.207 1.00100.00 C ATOM 252 O THR A 19 -8.307 -40.925 -24.043 1.00100.00 O ATOM 253 CB THR A 19 -7.568 -39.763 -27.048 1.00100.00 C ATOM 254 OG1 THR A 19 -7.450 -38.503 -27.670 1.00100.00 O ATOM 255 CG2 THR A 19 -7.735 -40.821 -28.139 1.00100.00 C ATOM 0 H THR A 19 -8.024 -38.648 -24.433 1.00100.00 H new ATOM 0 HA THR A 19 -9.683 -39.670 -26.611 1.00100.00 H new ATOM 0 HB THR A 19 -6.679 -40.023 -26.473 1.00100.00 H new ATOM 0 HG1 THR A 19 -6.702 -38.519 -28.303 1.00100.00 H new ATOM 0 HG21 THR A 19 -6.870 -40.799 -28.802 1.00100.00 H new ATOM 0 HG22 THR A 19 -7.816 -41.807 -27.681 1.00100.00 H new ATOM 0 HG23 THR A 19 -8.638 -40.612 -28.713 1.00100.00 H new ATOM 263 N PHE A 20 -9.112 -42.117 -25.786 1.00100.00 N ATOM 264 CA PHE A 20 -9.133 -43.407 -25.137 1.00100.00 C ATOM 265 C PHE A 20 -7.737 -43.769 -24.679 1.00100.00 C ATOM 266 O PHE A 20 -7.546 -44.185 -23.536 1.00100.00 O ATOM 267 CB PHE A 20 -9.622 -44.471 -26.160 1.00100.00 C ATOM 268 CG PHE A 20 -9.656 -45.879 -25.614 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.527 -46.704 -25.726 1.00100.00 C ATOM 270 CD2 PHE A 20 -10.817 -46.366 -25.002 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.565 -48.013 -25.229 1.00100.00 C ATOM 272 CE2 PHE A 20 -10.857 -47.674 -24.507 1.00100.00 C ATOM 273 CZ PHE A 20 -9.732 -48.499 -24.621 1.00100.00 C ATOM 0 H PHE A 20 -9.442 -42.155 -26.751 1.00100.00 H new ATOM 0 HA PHE A 20 -9.800 -43.375 -24.275 1.00100.00 H new ATOM 0 HB2 PHE A 20 -10.621 -44.200 -26.500 1.00100.00 H new ATOM 0 HB3 PHE A 20 -8.970 -44.447 -27.033 1.00100.00 H new ATOM 0 HD1 PHE A 20 -7.629 -46.330 -26.195 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.685 -45.730 -24.912 1.00100.00 H new ATOM 0 HE1 PHE A 20 -7.696 -48.648 -25.314 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.755 -48.047 -24.037 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.762 -49.509 -24.241 1.00100.00 H new ATOM 283 N GLU A 21 -6.737 -43.585 -25.568 1.00100.00 N ATOM 284 CA GLU A 21 -5.350 -43.858 -25.296 1.00100.00 C ATOM 285 C GLU A 21 -4.836 -42.939 -24.230 1.00100.00 C ATOM 286 O GLU A 21 -4.052 -43.339 -23.370 1.00100.00 O ATOM 287 CB GLU A 21 -4.465 -43.699 -26.541 1.00100.00 C ATOM 288 CG GLU A 21 -4.945 -44.629 -27.653 1.00100.00 C ATOM 289 CD GLU A 21 -4.077 -44.480 -28.894 1.00100.00 C ATOM 290 OE1 GLU A 21 -4.160 -43.400 -29.518 1.00100.00 O ATOM 291 OE2 GLU A 21 -3.342 -45.446 -29.195 1.00100.00 O ATOM 0 H GLU A 21 -6.899 -43.233 -26.512 1.00100.00 H new ATOM 0 HA GLU A 21 -5.299 -44.896 -24.966 1.00100.00 H new ATOM 0 HB2 GLU A 21 -4.492 -42.665 -26.885 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.429 -43.925 -26.290 1.00100.00 H new ATOM 0 HG2 GLU A 21 -4.918 -45.662 -27.306 1.00100.00 H new ATOM 0 HG3 GLU A 21 -5.982 -44.403 -27.900 1.00100.00 H new ATOM 298 N GLU A 22 -5.279 -41.667 -24.295 1.00100.00 N ATOM 299 CA GLU A 22 -4.928 -40.616 -23.384 1.00100.00 C ATOM 300 C GLU A 22 -5.548 -40.751 -22.023 1.00100.00 C ATOM 301 O GLU A 22 -5.010 -40.189 -21.069 1.00100.00 O ATOM 302 CB GLU A 22 -5.293 -39.235 -23.960 1.00100.00 C ATOM 303 CG GLU A 22 -4.527 -38.938 -25.247 1.00100.00 C ATOM 304 CD GLU A 22 -3.044 -38.758 -24.964 1.00100.00 C ATOM 305 OE1 GLU A 22 -2.723 -37.804 -24.223 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.260 -39.574 -25.495 1.00100.00 O ATOM 0 H GLU A 22 -5.919 -41.355 -25.025 1.00100.00 H new ATOM 0 HA GLU A 22 -3.849 -40.705 -23.260 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.364 -39.195 -24.157 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.075 -38.464 -23.221 1.00100.00 H new ATOM 0 HG2 GLU A 22 -4.670 -39.753 -25.957 1.00100.00 H new ATOM 0 HG3 GLU A 22 -4.925 -38.036 -25.712 1.00100.00 H new ATOM 313 N CYS A 23 -6.609 -41.588 -21.864 1.00100.00 N ATOM 314 CA CYS A 23 -7.326 -41.737 -20.618 1.00100.00 C ATOM 315 C CYS A 23 -6.488 -42.077 -19.408 1.00100.00 C ATOM 316 O CYS A 23 -6.736 -41.422 -18.395 1.00100.00 O ATOM 317 CB CYS A 23 -8.426 -42.795 -20.717 1.00100.00 C ATOM 318 SG CYS A 23 -9.164 -43.191 -19.116 1.00100.00 S ATOM 0 H CYS A 23 -6.974 -42.172 -22.617 1.00100.00 H new ATOM 0 HA CYS A 23 -7.733 -40.738 -20.463 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.204 -42.441 -21.393 1.00100.00 H new ATOM 0 HB3 CYS A 23 -8.012 -43.703 -21.155 1.00100.00 H new ATOM 0 HG CYS A 23 -10.244 -42.487 -18.950 1.00100.00 H new ATOM 324 N PRO A 24 -5.499 -43.033 -19.405 1.00100.00 N ATOM 325 CA PRO A 24 -4.701 -43.283 -18.225 1.00100.00 C ATOM 326 C PRO A 24 -3.907 -42.078 -17.788 1.00100.00 C ATOM 327 O PRO A 24 -3.639 -41.980 -16.589 1.00100.00 O ATOM 328 CB PRO A 24 -3.831 -44.505 -18.530 1.00100.00 C ATOM 329 CG PRO A 24 -3.760 -44.477 -20.060 1.00100.00 C ATOM 330 CD PRO A 24 -5.119 -43.916 -20.480 1.00100.00 C ATOM 0 HA PRO A 24 -5.343 -43.488 -17.368 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.844 -44.426 -18.075 1.00100.00 H new ATOM 0 HB3 PRO A 24 -4.280 -45.427 -18.160 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.942 -43.848 -20.411 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.594 -45.473 -20.471 1.00100.00 H new ATOM 0 HD2 PRO A 24 -5.051 -43.380 -21.427 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.851 -44.712 -20.616 1.00100.00 H new ATOM 338 N LYS A 25 -3.514 -41.181 -18.739 1.00100.00 N ATOM 339 CA LYS A 25 -2.779 -39.981 -18.421 1.00100.00 C ATOM 340 C LYS A 25 -3.613 -39.108 -17.552 1.00100.00 C ATOM 341 O LYS A 25 -3.104 -38.604 -16.546 1.00100.00 O ATOM 342 CB LYS A 25 -2.349 -39.120 -19.621 1.00100.00 C ATOM 343 CG LYS A 25 -1.467 -39.950 -20.550 1.00100.00 C ATOM 344 CD LYS A 25 -0.945 -39.065 -21.679 1.00100.00 C ATOM 345 CE LYS A 25 -0.072 -39.882 -22.629 1.00100.00 C ATOM 346 NZ LYS A 25 -0.844 -40.954 -23.276 1.00100.00 N ATOM 0 H LYS A 25 -3.710 -41.294 -19.733 1.00100.00 H new ATOM 0 HA LYS A 25 -1.869 -40.343 -17.942 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.227 -38.762 -20.159 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.806 -38.240 -19.276 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.633 -40.377 -19.993 1.00100.00 H new ATOM 0 HG3 LYS A 25 -2.036 -40.784 -20.960 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.781 -38.630 -22.226 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.369 -38.237 -21.265 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.353 -39.227 -23.390 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.763 -40.314 -22.078 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.224 -41.491 -23.915 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.229 -41.592 -22.550 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -1.626 -40.538 -23.821 1.00100.00 H new ATOM 360 N CYS A 26 -4.911 -38.935 -17.915 1.00100.00 N ATOM 361 CA CYS A 26 -5.711 -38.137 -17.056 1.00100.00 C ATOM 362 C CYS A 26 -6.847 -38.825 -16.422 1.00100.00 C ATOM 363 O CYS A 26 -7.895 -39.109 -16.999 1.00100.00 O ATOM 364 CB CYS A 26 -6.082 -36.731 -17.503 1.00100.00 C ATOM 365 SG CYS A 26 -7.171 -35.967 -16.281 1.00100.00 S ATOM 0 H CYS A 26 -5.367 -39.321 -18.742 1.00100.00 H new ATOM 0 HA CYS A 26 -4.964 -37.963 -16.282 1.00100.00 H new ATOM 0 HB2 CYS A 26 -5.181 -36.130 -17.627 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.578 -36.767 -18.473 1.00100.00 H new ATOM 0 HG CYS A 26 -7.919 -35.077 -16.863 1.00100.00 H new ATOM 371 N SER A 27 -6.524 -39.121 -15.163 1.00100.00 N ATOM 372 CA SER A 27 -7.308 -39.680 -14.109 1.00100.00 C ATOM 373 C SER A 27 -6.965 -38.671 -13.008 1.00100.00 C ATOM 374 O SER A 27 -6.983 -38.980 -11.816 1.00100.00 O ATOM 375 CB SER A 27 -6.802 -41.086 -13.717 1.00100.00 C ATOM 376 OG SER A 27 -6.921 -41.951 -14.826 1.00100.00 O ATOM 0 H SER A 27 -5.574 -38.942 -14.836 1.00100.00 H new ATOM 0 HA SER A 27 -8.366 -39.815 -14.334 1.00100.00 H new ATOM 0 HB2 SER A 27 -5.763 -41.034 -13.392 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.380 -41.472 -12.877 1.00100.00 H new ATOM 0 HG SER A 27 -6.599 -42.844 -14.581 1.00100.00 H new ATOM 382 N ALA A 28 -6.663 -37.409 -13.429 1.00100.00 N ATOM 383 CA ALA A 28 -6.248 -36.290 -12.656 1.00100.00 C ATOM 384 C ALA A 28 -7.340 -35.706 -11.835 1.00100.00 C ATOM 385 O ALA A 28 -8.522 -35.981 -12.035 1.00100.00 O ATOM 386 CB ALA A 28 -5.607 -35.174 -13.509 1.00100.00 C ATOM 0 H ALA A 28 -6.722 -37.169 -14.419 1.00100.00 H new ATOM 0 HA ALA A 28 -5.492 -36.697 -11.984 1.00100.00 H new ATOM 0 HB1 ALA A 28 -5.311 -34.347 -12.863 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.729 -35.567 -14.022 1.00100.00 H new ATOM 0 HB3 ALA A 28 -6.328 -34.819 -14.245 1.00100.00 H new ATOM 392 N LEU A 29 -6.910 -34.820 -10.918 1.00100.00 N ATOM 393 CA LEU A 29 -7.706 -34.143 -9.947 1.00100.00 C ATOM 394 C LEU A 29 -8.817 -33.336 -10.536 1.00100.00 C ATOM 395 O LEU A 29 -9.890 -33.303 -9.929 1.00100.00 O ATOM 396 CB LEU A 29 -6.862 -33.160 -9.110 1.00100.00 C ATOM 397 CG LEU A 29 -5.703 -33.871 -8.405 1.00100.00 C ATOM 398 CD1 LEU A 29 -4.881 -32.836 -7.638 1.00100.00 C ATOM 399 CD2 LEU A 29 -6.222 -34.923 -7.424 1.00100.00 C ATOM 0 H LEU A 29 -5.926 -34.559 -10.854 1.00100.00 H new ATOM 0 HA LEU A 29 -8.120 -34.947 -9.338 1.00100.00 H new ATOM 0 HB2 LEU A 29 -6.469 -32.375 -9.756 1.00100.00 H new ATOM 0 HB3 LEU A 29 -7.497 -32.674 -8.369 1.00100.00 H new ATOM 0 HG LEU A 29 -5.090 -34.369 -9.156 1.00100.00 H new ATOM 0 HD11 LEU A 29 -4.053 -33.332 -7.132 1.00100.00 H new ATOM 0 HD12 LEU A 29 -4.489 -32.094 -8.334 1.00100.00 H new ATOM 0 HD13 LEU A 29 -5.514 -32.343 -6.900 1.00100.00 H new ATOM 0 HD21 LEU A 29 -5.379 -35.413 -6.937 1.00100.00 H new ATOM 0 HD22 LEU A 29 -6.847 -34.442 -6.671 1.00100.00 H new ATOM 0 HD23 LEU A 29 -6.811 -35.665 -7.964 1.00100.00 H new ATOM 411 N GLN A 30 -8.615 -32.695 -11.719 1.00100.00 N ATOM 412 CA GLN A 30 -9.630 -31.858 -12.321 1.00100.00 C ATOM 413 C GLN A 30 -10.919 -32.555 -12.663 1.00100.00 C ATOM 414 O GLN A 30 -11.967 -32.074 -12.230 1.00100.00 O ATOM 415 CB GLN A 30 -9.130 -31.206 -13.631 1.00100.00 C ATOM 416 CG GLN A 30 -8.000 -30.218 -13.354 1.00100.00 C ATOM 417 CD GLN A 30 -8.521 -29.028 -12.562 1.00100.00 C ATOM 418 OE1 GLN A 30 -9.480 -28.379 -12.974 1.00100.00 O ATOM 419 NE2 GLN A 30 -7.893 -28.746 -11.419 1.00100.00 N ATOM 0 H GLN A 30 -7.750 -32.757 -12.257 1.00100.00 H new ATOM 0 HA GLN A 30 -9.829 -31.123 -11.541 1.00100.00 H new ATOM 0 HB2 GLN A 30 -8.782 -31.979 -14.316 1.00100.00 H new ATOM 0 HB3 GLN A 30 -9.955 -30.691 -14.123 1.00100.00 H new ATOM 0 HG2 GLN A 30 -7.203 -30.713 -12.798 1.00100.00 H new ATOM 0 HG3 GLN A 30 -7.568 -29.876 -14.295 1.00100.00 H new ATOM 0 HE21 GLN A 30 -7.101 -29.314 -11.119 1.00100.00 H new ATOM 0 HE22 GLN A 30 -8.205 -27.962 -10.846 1.00100.00 H new ATOM 428 N TYR A 31 -10.873 -33.710 -13.389 1.00100.00 N ATOM 429 CA TYR A 31 -12.025 -34.516 -13.781 1.00100.00 C ATOM 430 C TYR A 31 -13.114 -33.644 -14.426 1.00100.00 C ATOM 431 O TYR A 31 -14.306 -33.845 -14.185 1.00100.00 O ATOM 432 CB TYR A 31 -12.552 -35.331 -12.548 1.00100.00 C ATOM 433 CG TYR A 31 -13.463 -36.466 -12.950 1.00100.00 C ATOM 434 CD1 TYR A 31 -12.911 -37.626 -13.513 1.00100.00 C ATOM 435 CD2 TYR A 31 -14.851 -36.354 -12.788 1.00100.00 C ATOM 436 CE1 TYR A 31 -13.744 -38.673 -13.926 1.00100.00 C ATOM 437 CE2 TYR A 31 -15.692 -37.397 -13.198 1.00100.00 C ATOM 438 CZ TYR A 31 -15.141 -38.561 -13.773 1.00100.00 C ATOM 439 OH TYR A 31 -15.957 -39.574 -14.182 1.00100.00 O ATOM 0 H TYR A 31 -9.992 -34.103 -13.720 1.00100.00 H new ATOM 0 HA TYR A 31 -11.719 -35.235 -14.541 1.00100.00 H new ATOM 0 HB2 TYR A 31 -11.704 -35.730 -11.991 1.00100.00 H new ATOM 0 HB3 TYR A 31 -13.087 -34.661 -11.876 1.00100.00 H new ATOM 0 HD1 TYR A 31 -11.841 -37.712 -13.628 1.00100.00 H new ATOM 0 HD2 TYR A 31 -15.272 -35.463 -12.347 1.00100.00 H new ATOM 0 HE1 TYR A 31 -13.317 -39.565 -14.361 1.00100.00 H new ATOM 0 HE2 TYR A 31 -16.761 -37.310 -13.074 1.00100.00 H new ATOM 0 HH TYR A 31 -16.890 -39.335 -14.003 1.00100.00 H new ATOM 449 N ARG A 32 -12.730 -32.663 -15.286 1.00100.00 N ATOM 450 CA ARG A 32 -13.675 -31.737 -15.881 1.00100.00 C ATOM 451 C ARG A 32 -14.771 -32.231 -16.780 1.00100.00 C ATOM 452 O ARG A 32 -15.922 -31.843 -16.564 1.00100.00 O ATOM 453 CB ARG A 32 -13.009 -30.587 -16.662 1.00100.00 C ATOM 454 CG ARG A 32 -12.319 -29.646 -15.679 1.00100.00 C ATOM 455 CD ARG A 32 -11.800 -28.400 -16.390 1.00100.00 C ATOM 456 NE ARG A 32 -10.731 -28.730 -17.337 1.00100.00 N ATOM 457 CZ ARG A 32 -9.425 -28.583 -17.070 1.00100.00 C ATOM 458 NH1 ARG A 32 -9.015 -28.124 -15.879 1.00100.00 N ATOM 459 NH2 ARG A 32 -8.519 -28.900 -18.005 1.00100.00 N ATOM 0 H ARG A 32 -11.763 -32.510 -15.571 1.00100.00 H new ATOM 0 HA ARG A 32 -14.150 -31.439 -14.946 1.00100.00 H new ATOM 0 HB2 ARG A 32 -12.284 -30.986 -17.372 1.00100.00 H new ATOM 0 HB3 ARG A 32 -13.756 -30.044 -17.240 1.00100.00 H new ATOM 0 HG2 ARG A 32 -13.018 -29.357 -14.894 1.00100.00 H new ATOM 0 HG3 ARG A 32 -11.492 -30.164 -15.194 1.00100.00 H new ATOM 0 HD2 ARG A 32 -12.619 -27.914 -16.919 1.00100.00 H new ATOM 0 HD3 ARG A 32 -11.428 -27.687 -15.654 1.00100.00 H new ATOM 0 HE ARG A 32 -10.996 -29.093 -18.253 1.00100.00 H new ATOM 0 HH11 ARG A 32 -9.700 -27.882 -15.163 1.00100.00 H new ATOM 0 HH12 ARG A 32 -8.019 -28.017 -15.689 1.00100.00 H new ATOM 0 HH21 ARG A 32 -8.824 -29.251 -18.913 1.00100.00 H new ATOM 0 HH22 ARG A 32 -7.524 -28.791 -17.809 1.00100.00 H new ATOM 473 N ASN A 33 -14.467 -33.097 -17.777 1.00100.00 N ATOM 474 CA ASN A 33 -15.510 -33.537 -18.665 1.00100.00 C ATOM 475 C ASN A 33 -15.354 -34.994 -18.994 1.00100.00 C ATOM 476 O ASN A 33 -16.159 -35.802 -18.530 1.00100.00 O ATOM 477 CB ASN A 33 -15.555 -32.659 -19.942 1.00100.00 C ATOM 478 CG ASN A 33 -16.742 -33.005 -20.832 1.00100.00 C ATOM 479 OD1 ASN A 33 -17.610 -33.789 -20.451 1.00100.00 O ATOM 480 ND2 ASN A 33 -16.782 -32.409 -22.026 1.00100.00 N ATOM 0 H ASN A 33 -13.539 -33.478 -17.963 1.00100.00 H new ATOM 0 HA ASN A 33 -16.467 -33.420 -18.156 1.00100.00 H new ATOM 0 HB2 ASN A 33 -15.610 -31.608 -19.658 1.00100.00 H new ATOM 0 HB3 ASN A 33 -14.630 -32.789 -20.504 1.00100.00 H new ATOM 0 HD21 ASN A 33 -17.555 -32.597 -22.664 1.00100.00 H new ATOM 0 HD22 ASN A 33 -16.040 -31.765 -22.300 1.00100.00 H new ATOM 487 N GLY A 34 -14.293 -35.365 -19.754 1.00100.00 N ATOM 488 CA GLY A 34 -14.073 -36.740 -20.120 1.00100.00 C ATOM 489 C GLY A 34 -12.824 -36.862 -20.930 1.00100.00 C ATOM 490 O GLY A 34 -12.786 -36.467 -22.088 1.00100.00 O ATOM 0 H GLY A 34 -13.593 -34.715 -20.112 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.996 -37.355 -19.224 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.924 -37.113 -20.690 1.00100.00 H new ATOM 494 N PHE A 35 -11.774 -37.493 -20.355 1.00100.00 N ATOM 495 CA PHE A 35 -10.479 -37.650 -20.968 1.00100.00 C ATOM 496 C PHE A 35 -10.533 -38.656 -22.084 1.00100.00 C ATOM 497 O PHE A 35 -9.539 -38.796 -22.786 1.00100.00 O ATOM 498 CB PHE A 35 -9.369 -38.002 -19.955 1.00100.00 C ATOM 499 CG PHE A 35 -8.084 -37.273 -20.279 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.015 -35.886 -20.097 1.00100.00 C ATOM 501 CD2 PHE A 35 -6.965 -37.961 -20.758 1.00100.00 C ATOM 502 CE1 PHE A 35 -6.839 -35.184 -20.392 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.778 -37.265 -21.033 1.00100.00 C ATOM 504 CZ PHE A 35 -5.717 -35.877 -20.861 1.00100.00 C ATOM 0 H PHE A 35 -11.829 -37.911 -19.426 1.00100.00 H new ATOM 0 HA PHE A 35 -10.214 -36.679 -21.386 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.695 -37.740 -18.948 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.192 -39.078 -19.964 1.00100.00 H new ATOM 0 HD1 PHE A 35 -8.877 -35.352 -19.725 1.00100.00 H new ATOM 0 HD2 PHE A 35 -7.014 -39.028 -20.916 1.00100.00 H new ATOM 0 HE1 PHE A 35 -6.798 -34.113 -20.258 1.00100.00 H new ATOM 0 HE2 PHE A 35 -4.907 -37.803 -21.379 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.807 -35.342 -21.090 1.00100.00 H new ATOM 514 N TYR A 36 -11.635 -39.437 -22.221 1.00100.00 N ATOM 515 CA TYR A 36 -11.780 -40.324 -23.350 1.00100.00 C ATOM 516 C TYR A 36 -12.707 -39.614 -24.327 1.00100.00 C ATOM 517 O TYR A 36 -12.665 -39.903 -25.521 1.00100.00 O ATOM 518 CB TYR A 36 -12.627 -41.621 -23.214 1.00100.00 C ATOM 519 CG TYR A 36 -12.244 -42.797 -22.341 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.576 -43.899 -22.878 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.791 -42.923 -21.066 1.00100.00 C ATOM 522 CE1 TYR A 36 -11.256 -45.009 -22.084 1.00100.00 C ATOM 523 CE2 TYR A 36 -12.527 -44.037 -20.261 1.00100.00 C ATOM 524 CZ TYR A 36 -11.718 -45.076 -20.757 1.00100.00 C ATOM 525 OH TYR A 36 -11.439 -46.163 -19.983 1.00100.00 O ATOM 0 H TYR A 36 -12.413 -39.455 -21.562 1.00100.00 H new ATOM 0 HA TYR A 36 -10.742 -40.567 -23.575 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.616 -41.305 -22.881 1.00100.00 H new ATOM 0 HB3 TYR A 36 -12.742 -42.016 -24.223 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.301 -43.896 -23.922 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.435 -42.142 -20.689 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.657 -45.810 -22.490 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.941 -44.099 -19.266 1.00100.00 H new ATOM 0 HH TYR A 36 -11.834 -46.042 -19.094 1.00100.00 H new ATOM 535 N LEU A 37 -13.488 -38.602 -23.847 1.00100.00 N ATOM 536 CA LEU A 37 -14.525 -37.946 -24.593 1.00100.00 C ATOM 537 C LEU A 37 -14.261 -37.238 -25.856 1.00100.00 C ATOM 538 O LEU A 37 -15.007 -37.514 -26.789 1.00100.00 O ATOM 539 CB LEU A 37 -15.387 -36.998 -23.698 1.00100.00 C ATOM 540 CG LEU A 37 -16.622 -36.399 -24.382 1.00100.00 C ATOM 541 CD1 LEU A 37 -17.729 -37.432 -24.574 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.172 -35.282 -23.497 1.00100.00 C ATOM 0 H LEU A 37 -13.385 -38.234 -22.901 1.00100.00 H new ATOM 0 HA LEU A 37 -15.028 -38.853 -24.929 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.712 -37.552 -22.817 1.00100.00 H new ATOM 0 HB3 LEU A 37 -14.755 -36.183 -23.346 1.00100.00 H new ATOM 0 HG LEU A 37 -16.317 -36.033 -25.362 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.584 -36.963 -25.062 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.361 -38.249 -25.194 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.035 -37.822 -23.603 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.052 -34.844 -23.969 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.447 -35.690 -22.524 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.410 -34.513 -23.366 1.00100.00 H new ATOM 554 N LEU A 38 -13.221 -36.390 -25.977 1.00100.00 N ATOM 555 CA LEU A 38 -13.049 -35.654 -27.210 1.00100.00 C ATOM 556 C LEU A 38 -12.834 -36.538 -28.416 1.00100.00 C ATOM 557 O LEU A 38 -13.470 -36.323 -29.451 1.00100.00 O ATOM 558 CB LEU A 38 -11.908 -34.617 -27.111 1.00100.00 C ATOM 559 CG LEU A 38 -11.766 -33.769 -28.376 1.00100.00 C ATOM 560 CD1 LEU A 38 -13.019 -32.927 -28.620 1.00100.00 C ATOM 561 CD2 LEU A 38 -10.563 -32.843 -28.206 1.00100.00 C ATOM 0 H LEU A 38 -12.521 -36.212 -25.257 1.00100.00 H new ATOM 0 HA LEU A 38 -13.993 -35.130 -27.357 1.00100.00 H new ATOM 0 HB2 LEU A 38 -12.091 -33.962 -26.259 1.00100.00 H new ATOM 0 HB3 LEU A 38 -10.968 -35.135 -26.919 1.00100.00 H new ATOM 0 HG LEU A 38 -11.629 -34.431 -29.231 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.889 -32.335 -29.526 1.00100.00 H new ATOM 0 HD12 LEU A 38 -13.881 -33.583 -28.736 1.00100.00 H new ATOM 0 HD13 LEU A 38 -13.181 -32.262 -27.772 1.00100.00 H new ATOM 0 HD21 LEU A 38 -10.446 -32.230 -29.100 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.720 -32.198 -27.342 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.663 -33.439 -28.055 1.00100.00 H new ATOM 573 N LYS A 39 -11.973 -37.569 -28.290 1.00100.00 N ATOM 574 CA LYS A 39 -11.694 -38.444 -29.383 1.00100.00 C ATOM 575 C LYS A 39 -11.727 -39.884 -29.024 1.00100.00 C ATOM 576 O LYS A 39 -11.098 -40.340 -28.070 1.00100.00 O ATOM 577 CB LYS A 39 -10.305 -38.241 -30.036 1.00100.00 C ATOM 578 CG LYS A 39 -10.176 -36.853 -30.653 1.00100.00 C ATOM 579 CD LYS A 39 -8.832 -36.755 -31.372 1.00100.00 C ATOM 580 CE LYS A 39 -8.692 -35.372 -32.002 1.00100.00 C ATOM 581 NZ LYS A 39 -7.418 -35.251 -32.728 1.00100.00 N ATOM 0 H LYS A 39 -11.472 -37.793 -27.430 1.00100.00 H new ATOM 0 HA LYS A 39 -12.495 -38.178 -30.073 1.00100.00 H new ATOM 0 HB2 LYS A 39 -9.526 -38.381 -29.287 1.00100.00 H new ATOM 0 HB3 LYS A 39 -10.149 -38.998 -30.804 1.00100.00 H new ATOM 0 HG2 LYS A 39 -10.992 -36.674 -31.353 1.00100.00 H new ATOM 0 HG3 LYS A 39 -10.246 -36.088 -29.879 1.00100.00 H new ATOM 0 HD2 LYS A 39 -8.018 -36.930 -30.669 1.00100.00 H new ATOM 0 HD3 LYS A 39 -8.761 -37.525 -32.140 1.00100.00 H new ATOM 0 HE2 LYS A 39 -9.522 -35.194 -32.685 1.00100.00 H new ATOM 0 HE3 LYS A 39 -8.747 -34.608 -31.227 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.346 -34.302 -33.147 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -6.627 -35.399 -32.069 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -7.379 -35.966 -33.482 1.00100.00 H new ATOM 595 N TYR A 40 -12.499 -40.629 -29.825 1.00100.00 N ATOM 596 CA TYR A 40 -12.600 -42.055 -29.734 1.00100.00 C ATOM 597 C TYR A 40 -12.026 -42.547 -31.061 1.00100.00 C ATOM 598 O TYR A 40 -11.804 -43.747 -31.246 1.00100.00 O ATOM 599 CB TYR A 40 -14.062 -42.531 -29.559 1.00100.00 C ATOM 600 CG TYR A 40 -14.205 -44.024 -29.386 1.00100.00 C ATOM 601 CD1 TYR A 40 -13.576 -44.664 -28.309 1.00100.00 C ATOM 602 CD2 TYR A 40 -14.983 -44.761 -30.286 1.00100.00 C ATOM 603 CE1 TYR A 40 -13.704 -46.049 -28.146 1.00100.00 C ATOM 604 CE2 TYR A 40 -15.112 -46.148 -30.135 1.00100.00 C ATOM 605 CZ TYR A 40 -14.467 -46.799 -29.064 1.00100.00 C ATOM 606 OH TYR A 40 -14.589 -48.148 -28.912 1.00100.00 O ATOM 0 H TYR A 40 -13.076 -40.229 -30.565 1.00100.00 H new ATOM 0 HA TYR A 40 -12.071 -42.443 -28.864 1.00100.00 H new ATOM 0 HB2 TYR A 40 -14.494 -42.032 -28.692 1.00100.00 H new ATOM 0 HB3 TYR A 40 -14.641 -42.219 -30.428 1.00100.00 H new ATOM 0 HD1 TYR A 40 -12.993 -44.089 -27.605 1.00100.00 H new ATOM 0 HD2 TYR A 40 -15.486 -44.259 -31.100 1.00100.00 H new ATOM 0 HE1 TYR A 40 -13.218 -46.542 -27.317 1.00100.00 H new ATOM 0 HE2 TYR A 40 -15.704 -46.717 -30.837 1.00100.00 H new ATOM 0 HH TYR A 40 -15.149 -48.509 -29.630 1.00100.00 H new ATOM 616 N ASP A 41 -11.705 -41.603 -31.993 1.00100.00 N ATOM 617 CA ASP A 41 -11.181 -41.814 -33.317 1.00100.00 C ATOM 618 C ASP A 41 -12.103 -42.679 -34.134 1.00100.00 C ATOM 619 O ASP A 41 -11.682 -43.571 -34.874 1.00100.00 O ATOM 620 CB ASP A 41 -9.721 -42.347 -33.319 1.00100.00 C ATOM 621 CG ASP A 41 -8.808 -41.389 -32.560 1.00100.00 C ATOM 622 OD1 ASP A 41 -8.794 -40.196 -32.937 1.00100.00 O ATOM 623 OD2 ASP A 41 -8.145 -41.864 -31.612 1.00100.00 O ATOM 0 H ASP A 41 -11.826 -40.610 -31.793 1.00100.00 H new ATOM 0 HA ASP A 41 -11.134 -40.835 -33.794 1.00100.00 H new ATOM 0 HB2 ASP A 41 -9.686 -43.335 -32.859 1.00100.00 H new ATOM 0 HB3 ASP A 41 -9.369 -42.460 -34.344 1.00100.00 H new ATOM 628 N GLU A 42 -13.418 -42.402 -34.001 1.00100.00 N ATOM 629 CA GLU A 42 -14.430 -43.118 -34.719 1.00100.00 C ATOM 630 C GLU A 42 -14.912 -42.183 -35.790 1.00100.00 C ATOM 631 O GLU A 42 -15.026 -40.975 -35.570 1.00100.00 O ATOM 632 CB GLU A 42 -15.628 -43.547 -33.836 1.00100.00 C ATOM 633 CG GLU A 42 -16.672 -44.348 -34.613 1.00100.00 C ATOM 634 CD GLU A 42 -17.859 -44.746 -33.738 1.00100.00 C ATOM 635 OE1 GLU A 42 -17.786 -44.513 -32.512 1.00100.00 O ATOM 636 OE2 GLU A 42 -18.829 -45.279 -34.320 1.00100.00 O ATOM 0 H GLU A 42 -13.781 -41.672 -33.388 1.00100.00 H new ATOM 0 HA GLU A 42 -14.006 -44.043 -35.110 1.00100.00 H new ATOM 0 HB2 GLU A 42 -15.264 -44.145 -33.001 1.00100.00 H new ATOM 0 HB3 GLU A 42 -16.098 -42.660 -33.411 1.00100.00 H new ATOM 0 HG2 GLU A 42 -17.027 -43.757 -35.458 1.00100.00 H new ATOM 0 HG3 GLU A 42 -16.208 -45.245 -35.024 1.00100.00 H new ATOM 706 N PRO A 46 -21.231 -42.211 -41.084 1.00100.00 N ATOM 707 CA PRO A 46 -20.933 -42.657 -42.424 1.00100.00 C ATOM 708 C PRO A 46 -22.213 -43.131 -43.060 1.00100.00 C ATOM 709 O PRO A 46 -22.586 -44.301 -42.938 1.00100.00 O ATOM 710 CB PRO A 46 -19.841 -43.717 -42.253 1.00100.00 C ATOM 711 CG PRO A 46 -20.204 -44.334 -40.901 1.00100.00 C ATOM 712 CD PRO A 46 -20.709 -43.135 -40.099 1.00100.00 C ATOM 0 HA PRO A 46 -20.556 -41.891 -43.102 1.00100.00 H new ATOM 0 HB2 PRO A 46 -19.859 -44.454 -43.056 1.00100.00 H new ATOM 0 HB3 PRO A 46 -18.844 -43.278 -42.246 1.00100.00 H new ATOM 0 HG2 PRO A 46 -20.969 -45.103 -41.001 1.00100.00 H new ATOM 0 HG3 PRO A 46 -19.342 -44.802 -40.427 1.00100.00 H new ATOM 0 HD2 PRO A 46 -21.482 -43.433 -39.390 1.00100.00 H new ATOM 0 HD3 PRO A 46 -19.904 -42.681 -39.521 1.00100.00 H new ATOM 720 N GLU A 47 -22.879 -42.192 -43.766 1.00100.00 N ATOM 721 CA GLU A 47 -24.137 -42.411 -44.420 1.00100.00 C ATOM 722 C GLU A 47 -24.044 -43.472 -45.467 1.00100.00 C ATOM 723 O GLU A 47 -24.941 -44.309 -45.551 1.00100.00 O ATOM 724 CB GLU A 47 -24.684 -41.128 -45.061 1.00100.00 C ATOM 725 CG GLU A 47 -24.922 -40.066 -43.989 1.00100.00 C ATOM 726 CD GLU A 47 -25.501 -38.799 -44.606 1.00100.00 C ATOM 727 OE1 GLU A 47 -24.697 -38.021 -45.162 1.00100.00 O ATOM 728 OE2 GLU A 47 -26.736 -38.635 -44.512 1.00100.00 O ATOM 0 H GLU A 47 -22.526 -41.243 -43.885 1.00100.00 H new ATOM 0 HA GLU A 47 -24.823 -42.739 -43.639 1.00100.00 H new ATOM 0 HB2 GLU A 47 -23.979 -40.754 -45.804 1.00100.00 H new ATOM 0 HB3 GLU A 47 -25.616 -41.342 -45.585 1.00100.00 H new ATOM 0 HG2 GLU A 47 -25.604 -40.453 -43.232 1.00100.00 H new ATOM 0 HG3 GLU A 47 -23.984 -39.835 -43.484 1.00100.00 H new ATOM 735 N GLU A 48 -22.945 -43.475 -46.260 1.00100.00 N ATOM 736 CA GLU A 48 -22.736 -44.447 -47.302 1.00100.00 C ATOM 737 C GLU A 48 -22.650 -45.839 -46.746 1.00100.00 C ATOM 738 O GLU A 48 -23.267 -46.748 -47.301 1.00100.00 O ATOM 739 CB GLU A 48 -21.457 -44.213 -48.122 1.00100.00 C ATOM 740 CG GLU A 48 -21.523 -42.881 -48.865 1.00100.00 C ATOM 741 CD GLU A 48 -20.300 -42.708 -49.758 1.00100.00 C ATOM 742 OE1 GLU A 48 -19.232 -42.370 -49.203 1.00100.00 O ATOM 743 OE2 GLU A 48 -20.454 -42.925 -50.980 1.00100.00 O ATOM 0 H GLU A 48 -22.192 -42.793 -46.176 1.00100.00 H new ATOM 0 HA GLU A 48 -23.602 -44.331 -47.954 1.00100.00 H new ATOM 0 HB2 GLU A 48 -20.590 -44.223 -47.462 1.00100.00 H new ATOM 0 HB3 GLU A 48 -21.324 -45.026 -48.836 1.00100.00 H new ATOM 0 HG2 GLU A 48 -22.430 -42.839 -49.468 1.00100.00 H new ATOM 0 HG3 GLU A 48 -21.577 -42.061 -48.149 1.00100.00 H new ATOM 750 N LEU A 49 -21.900 -46.021 -45.629 1.00100.00 N ATOM 751 CA LEU A 49 -21.744 -47.307 -44.991 1.00100.00 C ATOM 752 C LEU A 49 -23.044 -47.819 -44.437 1.00100.00 C ATOM 753 O LEU A 49 -23.344 -49.005 -44.575 1.00100.00 O ATOM 754 CB LEU A 49 -20.672 -47.323 -43.881 1.00100.00 C ATOM 755 CG LEU A 49 -19.304 -46.883 -44.412 1.00100.00 C ATOM 756 CD1 LEU A 49 -18.292 -46.920 -43.268 1.00100.00 C ATOM 757 CD2 LEU A 49 -18.819 -47.803 -45.533 1.00100.00 C ATOM 0 H LEU A 49 -21.396 -45.266 -45.163 1.00100.00 H new ATOM 0 HA LEU A 49 -21.402 -47.970 -45.785 1.00100.00 H new ATOM 0 HB2 LEU A 49 -20.978 -46.662 -43.070 1.00100.00 H new ATOM 0 HB3 LEU A 49 -20.595 -48.327 -43.463 1.00100.00 H new ATOM 0 HG LEU A 49 -19.400 -45.874 -44.812 1.00100.00 H new ATOM 0 HD11 LEU A 49 -17.315 -46.608 -43.637 1.00100.00 H new ATOM 0 HD12 LEU A 49 -18.614 -46.244 -42.476 1.00100.00 H new ATOM 0 HD13 LEU A 49 -18.225 -47.934 -42.874 1.00100.00 H new ATOM 0 HD21 LEU A 49 -17.846 -47.463 -45.887 1.00100.00 H new ATOM 0 HD22 LEU A 49 -18.732 -48.822 -45.156 1.00100.00 H new ATOM 0 HD23 LEU A 49 -19.533 -47.781 -46.356 1.00100.00 H new ATOM 769 N LEU A 50 -23.842 -46.921 -43.808 1.00100.00 N ATOM 770 CA LEU A 50 -25.126 -47.250 -43.233 1.00100.00 C ATOM 771 C LEU A 50 -26.092 -47.711 -44.296 1.00100.00 C ATOM 772 O LEU A 50 -26.805 -48.696 -44.096 1.00100.00 O ATOM 773 CB LEU A 50 -25.756 -46.058 -42.477 1.00100.00 C ATOM 774 CG LEU A 50 -24.942 -45.702 -41.230 1.00100.00 C ATOM 775 CD1 LEU A 50 -25.424 -44.361 -40.680 1.00100.00 C ATOM 776 CD2 LEU A 50 -25.102 -46.774 -40.152 1.00100.00 C ATOM 0 H LEU A 50 -23.588 -45.939 -43.696 1.00100.00 H new ATOM 0 HA LEU A 50 -24.941 -48.054 -42.521 1.00100.00 H new ATOM 0 HB2 LEU A 50 -25.811 -45.193 -43.138 1.00100.00 H new ATOM 0 HB3 LEU A 50 -26.778 -46.305 -42.189 1.00100.00 H new ATOM 0 HG LEU A 50 -23.890 -45.640 -41.507 1.00100.00 H new ATOM 0 HD11 LEU A 50 -24.847 -44.103 -39.792 1.00100.00 H new ATOM 0 HD12 LEU A 50 -25.290 -43.588 -41.437 1.00100.00 H new ATOM 0 HD13 LEU A 50 -26.480 -44.433 -40.419 1.00100.00 H new ATOM 0 HD21 LEU A 50 -24.515 -46.499 -39.276 1.00100.00 H new ATOM 0 HD22 LEU A 50 -26.153 -46.856 -39.874 1.00100.00 H new ATOM 0 HD23 LEU A 50 -24.753 -47.732 -40.537 1.00100.00 H new ATOM 805 N ASP A 52 -27.455 -49.446 -47.680 1.00100.00 N ATOM 806 CA ASP A 52 -27.188 -50.701 -48.339 1.00100.00 C ATOM 807 C ASP A 52 -26.638 -50.401 -49.711 1.00100.00 C ATOM 808 O ASP A 52 -27.158 -49.543 -50.430 1.00100.00 O ATOM 809 CB ASP A 52 -28.460 -51.579 -48.484 1.00100.00 C ATOM 810 CG ASP A 52 -28.130 -52.910 -49.147 1.00100.00 C ATOM 811 OD1 ASP A 52 -28.111 -52.933 -50.397 1.00100.00 O ATOM 812 OD2 ASP A 52 -27.899 -53.878 -48.392 1.00100.00 O ATOM 0 HA ASP A 52 -26.477 -51.261 -47.732 1.00100.00 H new ATOM 0 HB2 ASP A 52 -28.898 -51.756 -47.502 1.00100.00 H new ATOM 0 HB3 ASP A 52 -29.207 -51.049 -49.075 1.00100.00 H new ATOM 817 N GLY A 53 -25.561 -51.123 -50.080 1.00100.00 N ATOM 818 CA GLY A 53 -24.921 -50.944 -51.354 1.00100.00 C ATOM 819 C GLY A 53 -23.593 -51.632 -51.355 1.00100.00 C ATOM 820 O GLY A 53 -23.317 -52.508 -50.531 1.00100.00 O ATOM 0 H GLY A 53 -25.130 -51.836 -49.492 1.00100.00 H new ATOM 0 HA2 GLY A 53 -25.550 -51.347 -52.147 1.00100.00 H new ATOM 0 HA3 GLY A 53 -24.791 -49.882 -51.560 1.00100.00 H new ATOM 824 N GLU A 54 -22.746 -51.236 -52.332 1.00100.00 N ATOM 825 CA GLU A 54 -21.415 -51.757 -52.522 1.00100.00 C ATOM 826 C GLU A 54 -20.501 -51.308 -51.416 1.00100.00 C ATOM 827 O GLU A 54 -20.661 -50.218 -50.862 1.00100.00 O ATOM 828 CB GLU A 54 -20.781 -51.328 -53.857 1.00100.00 C ATOM 829 CG GLU A 54 -21.535 -51.880 -55.066 1.00100.00 C ATOM 830 CD GLU A 54 -21.439 -53.398 -55.142 1.00100.00 C ATOM 831 OE1 GLU A 54 -20.372 -53.928 -54.763 1.00100.00 O ATOM 832 OE2 GLU A 54 -22.439 -54.004 -55.586 1.00100.00 O ATOM 0 H GLU A 54 -22.997 -50.524 -53.018 1.00100.00 H new ATOM 0 HA GLU A 54 -21.527 -52.841 -52.522 1.00100.00 H new ATOM 0 HB2 GLU A 54 -20.759 -50.240 -53.912 1.00100.00 H new ATOM 0 HB3 GLU A 54 -19.746 -51.670 -53.891 1.00100.00 H new ATOM 0 HG2 GLU A 54 -22.582 -51.584 -55.009 1.00100.00 H new ATOM 0 HG3 GLU A 54 -21.130 -51.443 -55.979 1.00100.00 H new ATOM 839 N ASP A 55 -19.529 -52.181 -51.064 1.00100.00 N ATOM 840 CA ASP A 55 -18.577 -51.930 -50.011 1.00100.00 C ATOM 841 C ASP A 55 -17.668 -50.763 -50.257 1.00100.00 C ATOM 842 O ASP A 55 -17.445 -49.967 -49.342 1.00100.00 O ATOM 843 CB ASP A 55 -17.713 -53.164 -49.669 1.00100.00 C ATOM 844 CG ASP A 55 -18.582 -54.358 -49.293 1.00100.00 C ATOM 845 OD1 ASP A 55 -19.578 -54.136 -48.572 1.00100.00 O ATOM 846 OD2 ASP A 55 -18.236 -55.473 -49.740 1.00100.00 O ATOM 0 H ASP A 55 -19.401 -53.083 -51.522 1.00100.00 H new ATOM 0 HA ASP A 55 -19.214 -51.684 -49.162 1.00100.00 H new ATOM 0 HB2 ASP A 55 -17.087 -53.421 -50.524 1.00100.00 H new ATOM 0 HB3 ASP A 55 -17.043 -52.924 -48.844 1.00100.00 H new ATOM 851 N ASP A 56 -17.153 -50.624 -51.500 1.00100.00 N ATOM 852 CA ASP A 56 -16.257 -49.549 -51.851 1.00100.00 C ATOM 853 C ASP A 56 -16.791 -48.778 -53.021 1.00100.00 C ATOM 854 O ASP A 56 -17.633 -49.263 -53.777 1.00100.00 O ATOM 855 CB ASP A 56 -14.826 -50.021 -52.223 1.00100.00 C ATOM 856 CG ASP A 56 -14.144 -50.669 -51.023 1.00100.00 C ATOM 857 OD1 ASP A 56 -14.094 -49.997 -49.970 1.00100.00 O ATOM 858 OD2 ASP A 56 -13.688 -51.821 -51.180 1.00100.00 O ATOM 0 H ASP A 56 -17.358 -51.261 -52.269 1.00100.00 H new ATOM 0 HA ASP A 56 -16.193 -48.932 -50.955 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.875 -50.732 -53.048 1.00100.00 H new ATOM 0 HB3 ASP A 56 -14.236 -49.172 -52.569 1.00100.00 H new ATOM 863 N VAL A 57 -16.319 -47.514 -53.154 1.00100.00 N ATOM 864 CA VAL A 57 -16.683 -46.583 -54.204 1.00100.00 C ATOM 865 C VAL A 57 -16.232 -47.138 -55.543 1.00100.00 C ATOM 866 O VAL A 57 -16.953 -47.030 -56.536 1.00100.00 O ATOM 867 CB VAL A 57 -16.106 -45.192 -53.939 1.00100.00 C ATOM 868 CG1 VAL A 57 -16.460 -44.246 -55.086 1.00100.00 C ATOM 869 CG2 VAL A 57 -16.679 -44.633 -52.636 1.00100.00 C ATOM 0 H VAL A 57 -15.648 -47.118 -52.496 1.00100.00 H new ATOM 0 HA VAL A 57 -17.767 -46.468 -54.222 1.00100.00 H new ATOM 0 HB VAL A 57 -15.022 -45.274 -53.860 1.00100.00 H new ATOM 0 HG11 VAL A 57 -16.043 -43.259 -54.885 1.00100.00 H new ATOM 0 HG12 VAL A 57 -16.046 -44.632 -56.017 1.00100.00 H new ATOM 0 HG13 VAL A 57 -17.544 -44.171 -55.175 1.00100.00 H new ATOM 0 HG21 VAL A 57 -16.265 -43.642 -52.452 1.00100.00 H new ATOM 0 HG22 VAL A 57 -17.764 -44.564 -52.716 1.00100.00 H new ATOM 0 HG23 VAL A 57 -16.418 -45.295 -51.810 1.00100.00 H new ATOM 879 N PHE A 58 -15.021 -47.738 -55.586 1.00100.00 N ATOM 880 CA PHE A 58 -14.451 -48.344 -56.762 1.00100.00 C ATOM 881 C PHE A 58 -15.177 -49.572 -57.238 1.00100.00 C ATOM 882 O PHE A 58 -15.106 -49.881 -58.427 1.00100.00 O ATOM 883 CB PHE A 58 -12.971 -48.754 -56.596 1.00100.00 C ATOM 884 CG PHE A 58 -12.079 -47.585 -56.252 1.00100.00 C ATOM 885 CD1 PHE A 58 -11.940 -47.178 -54.918 1.00100.00 C ATOM 886 CD2 PHE A 58 -11.410 -46.892 -57.270 1.00100.00 C ATOM 887 CE1 PHE A 58 -11.129 -46.080 -54.601 1.00100.00 C ATOM 888 CE2 PHE A 58 -10.598 -45.794 -56.953 1.00100.00 C ATOM 889 CZ PHE A 58 -10.458 -45.389 -55.619 1.00100.00 C ATOM 0 H PHE A 58 -14.414 -47.804 -54.769 1.00100.00 H new ATOM 0 HA PHE A 58 -14.547 -47.544 -57.496 1.00100.00 H new ATOM 0 HB2 PHE A 58 -12.893 -49.509 -55.813 1.00100.00 H new ATOM 0 HB3 PHE A 58 -12.620 -49.215 -57.519 1.00100.00 H new ATOM 0 HD1 PHE A 58 -12.458 -47.711 -54.134 1.00100.00 H new ATOM 0 HD2 PHE A 58 -11.520 -47.204 -58.298 1.00100.00 H new ATOM 0 HE1 PHE A 58 -11.021 -45.767 -53.573 1.00100.00 H new ATOM 0 HE2 PHE A 58 -10.081 -45.261 -57.737 1.00100.00 H new ATOM 0 HZ PHE A 58 -9.832 -44.543 -55.375 1.00100.00 H new ATOM 899 N ASP A 59 -15.907 -50.273 -56.330 1.00100.00 N ATOM 900 CA ASP A 59 -16.596 -51.503 -56.651 1.00100.00 C ATOM 901 C ASP A 59 -17.646 -51.438 -57.741 1.00100.00 C ATOM 902 O ASP A 59 -17.578 -52.319 -58.601 1.00100.00 O ATOM 903 CB ASP A 59 -17.227 -52.197 -55.415 1.00100.00 C ATOM 904 CG ASP A 59 -16.172 -52.699 -54.438 1.00100.00 C ATOM 905 OD1 ASP A 59 -15.006 -52.842 -54.868 1.00100.00 O ATOM 906 OD2 ASP A 59 -16.557 -52.945 -53.274 1.00100.00 O ATOM 0 H ASP A 59 -16.020 -49.981 -55.359 1.00100.00 H new ATOM 0 HA ASP A 59 -15.770 -52.094 -57.047 1.00100.00 H new ATOM 0 HB2 ASP A 59 -17.888 -51.497 -54.905 1.00100.00 H new ATOM 0 HB3 ASP A 59 -17.842 -53.034 -55.745 1.00100.00 H new