USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 422 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 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 44 ASN : amide:sc= 0.233 X(o=0.23,f=0.054) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0835 (180deg=-0.549) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.488 (180deg=-0.53) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 102:sc= 1.24 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 61:sc= 0.127 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -174:sc= -0.787 (180deg=-0.915) USER MOD Single : A 46 ASN : amide:sc= 0.168 X(o=0.17,f=-0.14) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -6:sc= 0.971 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -34.054 8.342 2.796 1.00 4.52 N ATOM 2 CA MET A 1 -32.983 7.799 1.919 1.00 4.02 C ATOM 3 C MET A 1 -33.033 8.445 0.538 1.00 3.53 C ATOM 4 O MET A 1 -32.795 7.787 -0.476 1.00 3.96 O ATOM 5 CB MET A 1 -33.131 6.282 1.790 1.00 4.70 C ATOM 6 CG MET A 1 -33.074 5.549 3.120 1.00 5.31 C ATOM 7 SD MET A 1 -33.344 3.774 2.950 1.00 6.25 S ATOM 8 CE MET A 1 -31.954 3.314 1.920 1.00 7.25 C ATOM 0 H1 MET A 1 -33.939 7.965 3.758 1.00 4.52 H new ATOM 0 H2 MET A 1 -33.990 9.380 2.820 1.00 4.52 H new ATOM 0 H3 MET A 1 -34.983 8.061 2.423 1.00 4.52 H new ATOM 0 HA MET A 1 -32.019 8.029 2.373 1.00 4.02 H new ATOM 0 HB2 MET A 1 -34.080 6.058 1.302 1.00 4.70 H new ATOM 0 HB3 MET A 1 -32.341 5.902 1.141 1.00 4.70 H new ATOM 0 HG2 MET A 1 -32.103 5.722 3.584 1.00 5.31 H new ATOM 0 HG3 MET A 1 -33.826 5.964 3.791 1.00 5.31 H new ATOM 0 HE1 MET A 1 -31.793 2.238 1.986 1.00 7.25 H new ATOM 0 HE2 MET A 1 -32.162 3.587 0.885 1.00 7.25 H new ATOM 0 HE3 MET A 1 -31.060 3.836 2.261 1.00 7.25 H new ATOM 20 N SER A 2 -33.343 9.737 0.506 1.00 3.22 N ATOM 21 CA SER A 2 -33.426 10.475 -0.749 1.00 3.50 C ATOM 22 C SER A 2 -32.433 11.632 -0.765 1.00 3.29 C ATOM 23 O SER A 2 -32.627 12.638 -0.083 1.00 3.74 O ATOM 24 CB SER A 2 -34.846 11.004 -0.963 1.00 4.32 C ATOM 25 OG SER A 2 -35.787 9.944 -0.989 1.00 4.74 O ATOM 0 H SER A 2 -33.541 10.295 1.336 1.00 3.22 H new ATOM 0 HA SER A 2 -33.175 9.792 -1.560 1.00 3.50 H new ATOM 0 HB2 SER A 2 -35.101 11.702 -0.166 1.00 4.32 H new ATOM 0 HB3 SER A 2 -34.893 11.559 -1.900 1.00 4.32 H new ATOM 0 HG SER A 2 -36.686 10.308 -1.125 1.00 4.74 H new ATOM 31 N GLY A 3 -31.369 11.479 -1.548 1.00 2.83 N ATOM 32 CA GLY A 3 -30.358 12.517 -1.640 1.00 2.96 C ATOM 33 C GLY A 3 -28.966 11.997 -1.344 1.00 2.11 C ATOM 34 O GLY A 3 -28.208 11.677 -2.260 1.00 2.56 O ATOM 0 H GLY A 3 -31.189 10.654 -2.121 1.00 2.83 H new ATOM 0 HA2 GLY A 3 -30.376 12.950 -2.640 1.00 2.96 H new ATOM 0 HA3 GLY A 3 -30.599 13.318 -0.942 1.00 2.96 H new ATOM 38 N GLY A 4 -28.629 11.910 -0.061 1.00 1.36 N ATOM 39 CA GLY A 4 -27.328 11.425 0.332 1.00 0.71 C ATOM 40 C GLY A 4 -27.404 10.182 1.190 1.00 0.73 C ATOM 41 O GLY A 4 -26.388 9.545 1.455 1.00 1.37 O ATOM 0 H GLY A 4 -29.240 12.169 0.713 1.00 1.36 H new ATOM 0 HA2 GLY A 4 -26.740 11.210 -0.560 1.00 0.71 H new ATOM 0 HA3 GLY A 4 -26.803 12.208 0.879 1.00 0.71 H new ATOM 45 N GLY A 5 -28.606 9.840 1.635 1.00 0.72 N ATOM 46 CA GLY A 5 -28.774 8.657 2.456 1.00 1.34 C ATOM 47 C GLY A 5 -28.324 7.409 1.729 1.00 1.28 C ATOM 48 O GLY A 5 -27.397 6.724 2.164 1.00 2.14 O ATOM 0 H GLY A 5 -29.464 10.358 1.443 1.00 0.72 H new ATOM 0 HA2 GLY A 5 -28.203 8.768 3.378 1.00 1.34 H new ATOM 0 HA3 GLY A 5 -29.821 8.556 2.740 1.00 1.34 H new ATOM 52 N VAL A 6 -28.985 7.118 0.616 1.00 0.51 N ATOM 53 CA VAL A 6 -28.652 5.957 -0.197 1.00 0.33 C ATOM 54 C VAL A 6 -27.258 6.082 -0.795 1.00 0.26 C ATOM 55 O VAL A 6 -26.477 5.133 -0.791 1.00 0.27 O ATOM 56 CB VAL A 6 -29.664 5.771 -1.335 1.00 0.44 C ATOM 57 CG1 VAL A 6 -29.762 7.026 -2.182 1.00 0.98 C ATOM 58 CG2 VAL A 6 -29.289 4.570 -2.187 1.00 1.25 C ATOM 0 H VAL A 6 -29.760 7.674 0.254 1.00 0.51 H new ATOM 0 HA VAL A 6 -28.684 5.090 0.462 1.00 0.33 H new ATOM 0 HB VAL A 6 -30.644 5.587 -0.896 1.00 0.44 H new ATOM 0 HG11 VAL A 6 -30.486 6.869 -2.982 1.00 0.98 H new ATOM 0 HG12 VAL A 6 -30.084 7.861 -1.560 1.00 0.98 H new ATOM 0 HG13 VAL A 6 -28.787 7.251 -2.614 1.00 0.98 H new ATOM 0 HG21 VAL A 6 -30.017 4.452 -2.990 1.00 1.25 H new ATOM 0 HG22 VAL A 6 -28.298 4.723 -2.615 1.00 1.25 H new ATOM 0 HG23 VAL A 6 -29.283 3.673 -1.568 1.00 1.25 H new ATOM 68 N PHE A 7 -26.966 7.268 -1.310 1.00 0.25 N ATOM 69 CA PHE A 7 -25.677 7.546 -1.935 1.00 0.22 C ATOM 70 C PHE A 7 -24.524 7.272 -0.975 1.00 0.17 C ATOM 71 O PHE A 7 -23.514 6.691 -1.366 1.00 0.19 O ATOM 72 CB PHE A 7 -25.631 8.997 -2.421 1.00 0.28 C ATOM 73 CG PHE A 7 -24.476 9.298 -3.333 1.00 0.66 C ATOM 74 CD1 PHE A 7 -23.216 9.545 -2.816 1.00 0.65 C ATOM 75 CD2 PHE A 7 -24.653 9.339 -4.707 1.00 1.15 C ATOM 76 CE1 PHE A 7 -22.152 9.826 -3.652 1.00 1.10 C ATOM 77 CE2 PHE A 7 -23.593 9.620 -5.547 1.00 1.61 C ATOM 78 CZ PHE A 7 -22.341 9.864 -5.019 1.00 1.59 C ATOM 0 H PHE A 7 -27.609 8.060 -1.308 1.00 0.25 H new ATOM 0 HA PHE A 7 -25.565 6.879 -2.790 1.00 0.22 H new ATOM 0 HB2 PHE A 7 -26.561 9.225 -2.942 1.00 0.28 H new ATOM 0 HB3 PHE A 7 -25.580 9.658 -1.556 1.00 0.28 H new ATOM 0 HD1 PHE A 7 -23.063 9.518 -1.747 1.00 0.65 H new ATOM 0 HD2 PHE A 7 -25.630 9.149 -5.126 1.00 1.15 H new ATOM 0 HE1 PHE A 7 -21.173 10.016 -3.236 1.00 1.10 H new ATOM 0 HE2 PHE A 7 -23.744 9.649 -6.616 1.00 1.61 H new ATOM 0 HZ PHE A 7 -21.511 10.084 -5.674 1.00 1.59 H new ATOM 88 N THR A 8 -24.662 7.701 0.275 1.00 0.16 N ATOM 89 CA THR A 8 -23.614 7.461 1.264 1.00 0.16 C ATOM 90 C THR A 8 -23.480 5.968 1.537 1.00 0.14 C ATOM 91 O THR A 8 -22.398 5.485 1.856 1.00 0.17 O ATOM 92 CB THR A 8 -23.874 8.198 2.589 1.00 0.24 C ATOM 93 OG1 THR A 8 -24.036 9.600 2.350 1.00 0.38 O ATOM 94 CG2 THR A 8 -22.726 7.979 3.566 1.00 0.30 C ATOM 0 H THR A 8 -25.475 8.209 0.625 1.00 0.16 H new ATOM 0 HA THR A 8 -22.688 7.851 0.842 1.00 0.16 H new ATOM 0 HB THR A 8 -24.788 7.795 3.026 1.00 0.24 H new ATOM 0 HG1 THR A 8 -24.989 9.828 2.375 1.00 0.38 H new ATOM 0 HG21 THR A 8 -22.933 8.510 4.495 1.00 0.30 H new ATOM 0 HG22 THR A 8 -22.622 6.914 3.772 1.00 0.30 H new ATOM 0 HG23 THR A 8 -21.801 8.357 3.131 1.00 0.30 H new ATOM 102 N ASP A 9 -24.597 5.248 1.434 1.00 0.16 N ATOM 103 CA ASP A 9 -24.599 3.803 1.632 1.00 0.20 C ATOM 104 C ASP A 9 -23.822 3.176 0.499 1.00 0.18 C ATOM 105 O ASP A 9 -23.110 2.191 0.674 1.00 0.22 O ATOM 106 CB ASP A 9 -26.025 3.265 1.660 1.00 0.29 C ATOM 107 CG ASP A 9 -26.337 2.514 2.940 1.00 1.38 C ATOM 108 OD1 ASP A 9 -26.022 1.307 3.011 1.00 1.56 O ATOM 109 OD2 ASP A 9 -26.897 3.130 3.870 1.00 2.18 O ATOM 0 H ASP A 9 -25.511 5.644 1.214 1.00 0.16 H new ATOM 0 HA ASP A 9 -24.137 3.558 2.588 1.00 0.20 H new ATOM 0 HB2 ASP A 9 -26.725 4.093 1.549 1.00 0.29 H new ATOM 0 HB3 ASP A 9 -26.177 2.603 0.808 1.00 0.29 H new ATOM 114 N ILE A 10 -23.999 3.765 -0.674 1.00 0.17 N ATOM 115 CA ILE A 10 -23.296 3.351 -1.865 1.00 0.19 C ATOM 116 C ILE A 10 -21.818 3.604 -1.649 1.00 0.14 C ATOM 117 O ILE A 10 -20.960 2.817 -2.042 1.00 0.21 O ATOM 118 CB ILE A 10 -23.801 4.163 -3.066 1.00 0.23 C ATOM 119 CG1 ILE A 10 -25.233 3.754 -3.397 1.00 0.28 C ATOM 120 CG2 ILE A 10 -22.885 4.002 -4.268 1.00 0.29 C ATOM 121 CD1 ILE A 10 -25.862 4.578 -4.498 1.00 0.33 C ATOM 0 H ILE A 10 -24.638 4.546 -0.821 1.00 0.17 H new ATOM 0 HA ILE A 10 -23.468 2.293 -2.064 1.00 0.19 H new ATOM 0 HB ILE A 10 -23.793 5.220 -2.802 1.00 0.23 H new ATOM 0 HG12 ILE A 10 -25.243 2.704 -3.690 1.00 0.28 H new ATOM 0 HG13 ILE A 10 -25.843 3.840 -2.498 1.00 0.28 H new ATOM 0 HG21 ILE A 10 -23.271 4.590 -5.101 1.00 0.29 H new ATOM 0 HG22 ILE A 10 -21.884 4.349 -4.012 1.00 0.29 H new ATOM 0 HG23 ILE A 10 -22.842 2.951 -4.555 1.00 0.29 H new ATOM 0 HD11 ILE A 10 -26.879 4.229 -4.678 1.00 0.33 H new ATOM 0 HD12 ILE A 10 -25.885 5.626 -4.200 1.00 0.33 H new ATOM 0 HD13 ILE A 10 -25.276 4.473 -5.411 1.00 0.33 H new ATOM 133 N LEU A 11 -21.554 4.739 -1.022 1.00 0.08 N ATOM 134 CA LEU A 11 -20.209 5.155 -0.678 1.00 0.12 C ATOM 135 C LEU A 11 -19.641 4.217 0.368 1.00 0.12 C ATOM 136 O LEU A 11 -18.461 3.870 0.347 1.00 0.16 O ATOM 137 CB LEU A 11 -20.237 6.591 -0.149 1.00 0.15 C ATOM 138 CG LEU A 11 -20.360 7.676 -1.220 1.00 0.93 C ATOM 139 CD1 LEU A 11 -20.541 9.041 -0.575 1.00 1.36 C ATOM 140 CD2 LEU A 11 -19.138 7.673 -2.130 1.00 1.40 C ATOM 0 H LEU A 11 -22.275 5.401 -0.736 1.00 0.08 H new ATOM 0 HA LEU A 11 -19.575 5.119 -1.564 1.00 0.12 H new ATOM 0 HB2 LEU A 11 -21.073 6.690 0.544 1.00 0.15 H new ATOM 0 HB3 LEU A 11 -19.326 6.769 0.423 1.00 0.15 H new ATOM 0 HG LEU A 11 -21.239 7.461 -1.827 1.00 0.93 H new ATOM 0 HD11 LEU A 11 -20.627 9.802 -1.351 1.00 1.36 H new ATOM 0 HD12 LEU A 11 -21.446 9.039 0.033 1.00 1.36 H new ATOM 0 HD13 LEU A 11 -19.680 9.262 0.056 1.00 1.36 H new ATOM 0 HD21 LEU A 11 -19.245 8.452 -2.885 1.00 1.40 H new ATOM 0 HD22 LEU A 11 -18.243 7.862 -1.538 1.00 1.40 H new ATOM 0 HD23 LEU A 11 -19.051 6.703 -2.619 1.00 1.40 H new ATOM 152 N ALA A 12 -20.506 3.824 1.288 1.00 0.11 N ATOM 153 CA ALA A 12 -20.135 2.915 2.358 1.00 0.14 C ATOM 154 C ALA A 12 -19.832 1.548 1.781 1.00 0.12 C ATOM 155 O ALA A 12 -18.894 0.873 2.198 1.00 0.14 O ATOM 156 CB ALA A 12 -21.251 2.831 3.390 1.00 0.17 C ATOM 0 H ALA A 12 -21.480 4.125 1.314 1.00 0.11 H new ATOM 0 HA ALA A 12 -19.242 3.291 2.856 1.00 0.14 H new ATOM 0 HB1 ALA A 12 -20.959 2.146 4.186 1.00 0.17 H new ATOM 0 HB2 ALA A 12 -21.433 3.820 3.810 1.00 0.17 H new ATOM 0 HB3 ALA A 12 -22.161 2.467 2.913 1.00 0.17 H new ATOM 162 N ALA A 13 -20.649 1.153 0.815 1.00 0.16 N ATOM 163 CA ALA A 13 -20.492 -0.124 0.148 1.00 0.18 C ATOM 164 C ALA A 13 -19.189 -0.147 -0.634 1.00 0.14 C ATOM 165 O ALA A 13 -18.342 -0.996 -0.395 1.00 0.14 O ATOM 166 CB ALA A 13 -21.683 -0.388 -0.758 1.00 0.24 C ATOM 0 H ALA A 13 -21.434 1.708 0.476 1.00 0.16 H new ATOM 0 HA ALA A 13 -20.452 -0.918 0.894 1.00 0.18 H new ATOM 0 HB1 ALA A 13 -21.556 -1.350 -1.255 1.00 0.24 H new ATOM 0 HB2 ALA A 13 -22.596 -0.405 -0.163 1.00 0.24 H new ATOM 0 HB3 ALA A 13 -21.752 0.401 -1.507 1.00 0.24 H new ATOM 172 N ALA A 14 -19.037 0.797 -1.565 1.00 0.15 N ATOM 173 CA ALA A 14 -17.824 0.892 -2.370 1.00 0.17 C ATOM 174 C ALA A 14 -16.603 1.009 -1.481 1.00 0.17 C ATOM 175 O ALA A 14 -15.595 0.356 -1.713 1.00 0.21 O ATOM 176 CB ALA A 14 -17.880 2.086 -3.304 1.00 0.21 C ATOM 0 H ALA A 14 -19.740 1.505 -1.778 1.00 0.15 H new ATOM 0 HA ALA A 14 -17.753 -0.018 -2.966 1.00 0.17 H new ATOM 0 HB1 ALA A 14 -16.963 2.132 -3.891 1.00 0.21 H new ATOM 0 HB2 ALA A 14 -18.735 1.985 -3.973 1.00 0.21 H new ATOM 0 HB3 ALA A 14 -17.983 3.000 -2.720 1.00 0.21 H new ATOM 182 N GLY A 15 -16.691 1.867 -0.475 1.00 0.16 N ATOM 183 CA GLY A 15 -15.588 2.034 0.440 1.00 0.17 C ATOM 184 C GLY A 15 -15.243 0.715 1.078 1.00 0.16 C ATOM 185 O GLY A 15 -14.075 0.366 1.210 1.00 0.17 O ATOM 0 H GLY A 15 -17.506 2.448 -0.279 1.00 0.16 H new ATOM 0 HA2 GLY A 15 -14.721 2.428 -0.091 1.00 0.17 H new ATOM 0 HA3 GLY A 15 -15.849 2.762 1.208 1.00 0.17 H new ATOM 189 N ARG A 16 -16.283 -0.013 1.473 1.00 0.19 N ATOM 190 CA ARG A 16 -16.140 -1.320 2.079 1.00 0.21 C ATOM 191 C ARG A 16 -15.672 -2.335 1.047 1.00 0.18 C ATOM 192 O ARG A 16 -14.939 -3.266 1.366 1.00 0.18 O ATOM 193 CB ARG A 16 -17.475 -1.754 2.670 1.00 0.31 C ATOM 194 CG ARG A 16 -17.669 -1.316 4.104 1.00 1.05 C ATOM 195 CD ARG A 16 -17.145 -2.356 5.066 1.00 1.55 C ATOM 196 NE ARG A 16 -16.721 -1.761 6.325 1.00 2.69 N ATOM 197 CZ ARG A 16 -16.269 -2.462 7.360 1.00 3.47 C ATOM 198 NH1 ARG A 16 -16.185 -3.783 7.286 1.00 3.40 N ATOM 199 NH2 ARG A 16 -15.899 -1.842 8.472 1.00 4.53 N ATOM 0 H ARG A 16 -17.251 0.294 1.378 1.00 0.19 H new ATOM 0 HA ARG A 16 -15.394 -1.265 2.872 1.00 0.21 H new ATOM 0 HB2 ARG A 16 -18.283 -1.347 2.061 1.00 0.31 H new ATOM 0 HB3 ARG A 16 -17.552 -2.840 2.616 1.00 0.31 H new ATOM 0 HG2 ARG A 16 -17.155 -0.370 4.271 1.00 1.05 H new ATOM 0 HG3 ARG A 16 -18.728 -1.141 4.294 1.00 1.05 H new ATOM 0 HD2 ARG A 16 -17.920 -3.098 5.257 1.00 1.55 H new ATOM 0 HD3 ARG A 16 -16.306 -2.882 4.611 1.00 1.55 H new ATOM 0 HE ARG A 16 -16.774 -0.747 6.418 1.00 2.69 H new ATOM 0 HH11 ARG A 16 -16.468 -4.265 6.433 1.00 3.40 H new ATOM 0 HH12 ARG A 16 -15.838 -4.317 8.082 1.00 3.40 H new ATOM 0 HH21 ARG A 16 -15.961 -0.826 8.534 1.00 4.53 H new ATOM 0 HH22 ARG A 16 -15.552 -2.381 9.265 1.00 4.53 H new ATOM 213 N ILE A 17 -16.105 -2.143 -0.195 1.00 0.17 N ATOM 214 CA ILE A 17 -15.728 -3.034 -1.273 1.00 0.18 C ATOM 215 C ILE A 17 -14.250 -2.884 -1.482 1.00 0.15 C ATOM 216 O ILE A 17 -13.463 -3.806 -1.314 1.00 0.15 O ATOM 217 CB ILE A 17 -16.465 -2.672 -2.580 1.00 0.21 C ATOM 218 CG1 ILE A 17 -17.935 -3.087 -2.479 1.00 0.23 C ATOM 219 CG2 ILE A 17 -15.779 -3.307 -3.780 1.00 0.23 C ATOM 220 CD1 ILE A 17 -18.616 -3.334 -3.811 1.00 0.28 C ATOM 0 H ILE A 17 -16.717 -1.376 -0.474 1.00 0.17 H new ATOM 0 HA ILE A 17 -15.995 -4.058 -1.012 1.00 0.18 H new ATOM 0 HB ILE A 17 -16.428 -1.592 -2.725 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -18.002 -3.994 -1.878 1.00 0.23 H new ATOM 0 HG13 ILE A 17 -18.482 -2.310 -1.945 1.00 0.23 H new ATOM 0 HG21 ILE A 17 -16.315 -3.038 -4.690 1.00 0.23 H new ATOM 0 HG22 ILE A 17 -14.752 -2.947 -3.845 1.00 0.23 H new ATOM 0 HG23 ILE A 17 -15.777 -4.391 -3.666 1.00 0.23 H new ATOM 0 HD11 ILE A 17 -19.653 -3.623 -3.641 1.00 0.28 H new ATOM 0 HD12 ILE A 17 -18.586 -2.423 -4.409 1.00 0.28 H new ATOM 0 HD13 ILE A 17 -18.099 -4.134 -4.341 1.00 0.28 H new ATOM 232 N PHE A 18 -13.915 -1.669 -1.826 1.00 0.15 N ATOM 233 CA PHE A 18 -12.559 -1.254 -2.056 1.00 0.15 C ATOM 234 C PHE A 18 -11.692 -1.604 -0.861 1.00 0.12 C ATOM 235 O PHE A 18 -10.548 -2.018 -1.014 1.00 0.12 O ATOM 236 CB PHE A 18 -12.578 0.247 -2.284 1.00 0.16 C ATOM 237 CG PHE A 18 -11.230 0.887 -2.361 1.00 0.19 C ATOM 238 CD1 PHE A 18 -10.627 1.338 -1.210 1.00 0.19 C ATOM 239 CD2 PHE A 18 -10.578 1.052 -3.573 1.00 0.26 C ATOM 240 CE1 PHE A 18 -9.387 1.949 -1.252 1.00 0.24 C ATOM 241 CE2 PHE A 18 -9.337 1.657 -3.626 1.00 0.30 C ATOM 242 CZ PHE A 18 -8.741 2.107 -2.463 1.00 0.28 C ATOM 0 H PHE A 18 -14.597 -0.922 -1.957 1.00 0.15 H new ATOM 0 HA PHE A 18 -12.140 -1.764 -2.923 1.00 0.15 H new ATOM 0 HB2 PHE A 18 -13.116 0.453 -3.210 1.00 0.16 H new ATOM 0 HB3 PHE A 18 -13.141 0.716 -1.477 1.00 0.16 H new ATOM 0 HD1 PHE A 18 -11.128 1.213 -0.261 1.00 0.19 H new ATOM 0 HD2 PHE A 18 -11.044 0.705 -4.483 1.00 0.26 H new ATOM 0 HE1 PHE A 18 -8.925 2.301 -0.341 1.00 0.24 H new ATOM 0 HE2 PHE A 18 -8.834 1.778 -4.574 1.00 0.30 H new ATOM 0 HZ PHE A 18 -7.772 2.582 -2.501 1.00 0.28 H new ATOM 252 N GLU A 19 -12.248 -1.427 0.332 1.00 0.11 N ATOM 253 CA GLU A 19 -11.517 -1.721 1.556 1.00 0.11 C ATOM 254 C GLU A 19 -11.158 -3.191 1.631 1.00 0.10 C ATOM 255 O GLU A 19 -9.993 -3.542 1.795 1.00 0.12 O ATOM 256 CB GLU A 19 -12.321 -1.321 2.794 1.00 0.14 C ATOM 257 CG GLU A 19 -11.665 -0.223 3.617 1.00 0.25 C ATOM 258 CD GLU A 19 -12.475 0.147 4.844 1.00 1.27 C ATOM 259 OE1 GLU A 19 -13.353 1.027 4.730 1.00 2.30 O ATOM 260 OE2 GLU A 19 -12.233 -0.445 5.916 1.00 1.38 O ATOM 0 H GLU A 19 -13.197 -1.083 0.476 1.00 0.11 H new ATOM 0 HA GLU A 19 -10.599 -1.133 1.535 1.00 0.11 H new ATOM 0 HB2 GLU A 19 -13.311 -0.988 2.482 1.00 0.14 H new ATOM 0 HB3 GLU A 19 -12.464 -2.199 3.424 1.00 0.14 H new ATOM 0 HG2 GLU A 19 -10.672 -0.549 3.926 1.00 0.25 H new ATOM 0 HG3 GLU A 19 -11.530 0.662 2.995 1.00 0.25 H new ATOM 267 N VAL A 20 -12.163 -4.049 1.506 1.00 0.10 N ATOM 268 CA VAL A 20 -11.921 -5.481 1.557 1.00 0.12 C ATOM 269 C VAL A 20 -11.046 -5.860 0.374 1.00 0.10 C ATOM 270 O VAL A 20 -10.310 -6.847 0.403 1.00 0.12 O ATOM 271 CB VAL A 20 -13.231 -6.304 1.551 1.00 0.14 C ATOM 272 CG1 VAL A 20 -14.127 -5.898 2.715 1.00 0.16 C ATOM 273 CG2 VAL A 20 -13.966 -6.150 0.231 1.00 0.14 C ATOM 0 H VAL A 20 -13.138 -3.782 1.371 1.00 0.10 H new ATOM 0 HA VAL A 20 -11.419 -5.715 2.496 1.00 0.12 H new ATOM 0 HB VAL A 20 -12.968 -7.355 1.670 1.00 0.14 H new ATOM 0 HG11 VAL A 20 -15.043 -6.489 2.692 1.00 0.16 H new ATOM 0 HG12 VAL A 20 -13.604 -6.075 3.655 1.00 0.16 H new ATOM 0 HG13 VAL A 20 -14.375 -4.840 2.631 1.00 0.16 H new ATOM 0 HG21 VAL A 20 -14.883 -6.739 0.254 1.00 0.14 H new ATOM 0 HG22 VAL A 20 -14.213 -5.100 0.072 1.00 0.14 H new ATOM 0 HG23 VAL A 20 -13.330 -6.500 -0.582 1.00 0.14 H new ATOM 283 N MET A 21 -11.149 -5.044 -0.670 1.00 0.10 N ATOM 284 CA MET A 21 -10.365 -5.207 -1.878 1.00 0.11 C ATOM 285 C MET A 21 -8.933 -4.798 -1.589 1.00 0.12 C ATOM 286 O MET A 21 -7.984 -5.314 -2.179 1.00 0.16 O ATOM 287 CB MET A 21 -10.942 -4.330 -2.990 1.00 0.15 C ATOM 288 CG MET A 21 -12.249 -4.855 -3.570 1.00 0.16 C ATOM 289 SD MET A 21 -12.010 -5.794 -5.091 1.00 0.28 S ATOM 290 CE MET A 21 -13.705 -6.209 -5.497 1.00 1.66 C ATOM 0 H MET A 21 -11.785 -4.247 -0.697 1.00 0.10 H new ATOM 0 HA MET A 21 -10.393 -6.248 -2.201 1.00 0.11 H new ATOM 0 HB2 MET A 21 -11.106 -3.325 -2.600 1.00 0.15 H new ATOM 0 HB3 MET A 21 -10.208 -4.245 -3.791 1.00 0.15 H new ATOM 0 HG2 MET A 21 -12.741 -5.488 -2.831 1.00 0.16 H new ATOM 0 HG3 MET A 21 -12.917 -4.016 -3.767 1.00 0.16 H new ATOM 0 HE1 MET A 21 -13.726 -6.793 -6.417 1.00 1.66 H new ATOM 0 HE2 MET A 21 -14.141 -6.793 -4.687 1.00 1.66 H new ATOM 0 HE3 MET A 21 -14.281 -5.294 -5.634 1.00 1.66 H new ATOM 300 N VAL A 22 -8.803 -3.852 -0.664 1.00 0.11 N ATOM 301 CA VAL A 22 -7.510 -3.331 -0.270 1.00 0.14 C ATOM 302 C VAL A 22 -6.773 -4.319 0.626 1.00 0.13 C ATOM 303 O VAL A 22 -5.564 -4.505 0.496 1.00 0.17 O ATOM 304 CB VAL A 22 -7.642 -1.966 0.440 1.00 0.19 C ATOM 305 CG1 VAL A 22 -6.429 -1.677 1.316 1.00 0.22 C ATOM 306 CG2 VAL A 22 -7.821 -0.864 -0.590 1.00 0.22 C ATOM 0 H VAL A 22 -9.591 -3.430 -0.172 1.00 0.11 H new ATOM 0 HA VAL A 22 -6.929 -3.185 -1.181 1.00 0.14 H new ATOM 0 HB VAL A 22 -8.519 -2.002 1.086 1.00 0.19 H new ATOM 0 HG11 VAL A 22 -6.553 -0.709 1.802 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -6.335 -2.454 2.075 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -5.530 -1.661 0.699 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -7.914 0.096 -0.083 1.00 0.22 H new ATOM 0 HG22 VAL A 22 -6.956 -0.842 -1.254 1.00 0.22 H new ATOM 0 HG23 VAL A 22 -8.722 -1.054 -1.174 1.00 0.22 H new ATOM 316 N GLU A 23 -7.507 -4.949 1.540 1.00 0.18 N ATOM 317 CA GLU A 23 -6.920 -5.923 2.441 1.00 0.24 C ATOM 318 C GLU A 23 -6.257 -7.025 1.638 1.00 0.25 C ATOM 319 O GLU A 23 -5.160 -7.479 1.964 1.00 0.30 O ATOM 320 CB GLU A 23 -7.995 -6.504 3.352 1.00 0.35 C ATOM 321 CG GLU A 23 -8.837 -5.442 4.029 1.00 1.22 C ATOM 322 CD GLU A 23 -8.050 -4.627 5.037 1.00 2.02 C ATOM 323 OE1 GLU A 23 -7.926 -5.076 6.196 1.00 2.29 O ATOM 324 OE2 GLU A 23 -7.556 -3.541 4.667 1.00 2.64 O ATOM 0 H GLU A 23 -8.507 -4.799 1.672 1.00 0.18 H new ATOM 0 HA GLU A 23 -6.167 -5.434 3.060 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -8.644 -7.156 2.768 1.00 0.35 H new ATOM 0 HB3 GLU A 23 -7.522 -7.124 4.113 1.00 0.35 H new ATOM 0 HG2 GLU A 23 -9.251 -4.775 3.273 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -9.680 -5.917 4.531 1.00 1.22 H new ATOM 331 N GLY A 24 -6.938 -7.445 0.581 1.00 0.26 N ATOM 332 CA GLY A 24 -6.400 -8.470 -0.281 1.00 0.33 C ATOM 333 C GLY A 24 -5.192 -7.963 -1.027 1.00 0.33 C ATOM 334 O GLY A 24 -4.303 -8.734 -1.386 1.00 0.43 O ATOM 0 H GLY A 24 -7.855 -7.092 0.307 1.00 0.26 H new ATOM 0 HA2 GLY A 24 -6.127 -9.343 0.311 1.00 0.33 H new ATOM 0 HA3 GLY A 24 -7.162 -8.792 -0.990 1.00 0.33 H new ATOM 338 N HIS A 25 -5.164 -6.653 -1.276 1.00 0.27 N ATOM 339 CA HIS A 25 -4.034 -6.052 -1.968 1.00 0.35 C ATOM 340 C HIS A 25 -2.775 -6.285 -1.162 1.00 0.43 C ATOM 341 O HIS A 25 -1.748 -6.709 -1.692 1.00 0.57 O ATOM 342 CB HIS A 25 -4.229 -4.551 -2.164 1.00 0.35 C ATOM 343 CG HIS A 25 -3.185 -3.934 -3.041 1.00 0.48 C ATOM 344 ND1 HIS A 25 -2.885 -4.405 -4.301 1.00 0.64 N ATOM 345 CD2 HIS A 25 -2.356 -2.886 -2.825 1.00 0.52 C ATOM 346 CE1 HIS A 25 -1.913 -3.677 -4.820 1.00 0.74 C ATOM 347 NE2 HIS A 25 -1.575 -2.748 -3.946 1.00 0.67 N ATOM 0 H HIS A 25 -5.901 -6.000 -1.012 1.00 0.27 H new ATOM 0 HA HIS A 25 -3.953 -6.517 -2.951 1.00 0.35 H new ATOM 0 HB2 HIS A 25 -5.212 -4.372 -2.599 1.00 0.35 H new ATOM 0 HB3 HIS A 25 -4.216 -4.059 -1.192 1.00 0.35 H new ATOM 0 HD2 HIS A 25 -2.316 -2.273 -1.937 1.00 0.52 H new ATOM 0 HE1 HIS A 25 -1.470 -3.818 -5.795 1.00 0.74 H new ATOM 0 HE2 HIS A 25 -0.851 -2.042 -4.081 1.00 0.67 H new ATOM 356 N TRP A 26 -2.869 -6.003 0.133 1.00 0.38 N ATOM 357 CA TRP A 26 -1.741 -6.173 1.024 1.00 0.50 C ATOM 358 C TRP A 26 -1.533 -7.631 1.384 1.00 0.51 C ATOM 359 O TRP A 26 -0.588 -7.982 2.082 1.00 0.61 O ATOM 360 CB TRP A 26 -1.900 -5.347 2.287 1.00 0.60 C ATOM 361 CG TRP A 26 -2.066 -3.887 2.031 1.00 0.59 C ATOM 362 CD1 TRP A 26 -3.226 -3.175 1.999 1.00 0.57 C ATOM 363 CD2 TRP A 26 -1.022 -2.965 1.769 1.00 0.87 C ATOM 364 NE1 TRP A 26 -2.958 -1.851 1.739 1.00 0.80 N ATOM 365 CE2 TRP A 26 -1.604 -1.699 1.591 1.00 0.99 C ATOM 366 CE3 TRP A 26 0.351 -3.100 1.671 1.00 1.12 C ATOM 367 CZ2 TRP A 26 -0.842 -0.566 1.321 1.00 1.35 C ATOM 368 CZ3 TRP A 26 1.112 -1.985 1.402 1.00 1.45 C ATOM 369 CH2 TRP A 26 0.517 -0.727 1.230 1.00 1.56 C ATOM 0 H TRP A 26 -3.716 -5.656 0.583 1.00 0.38 H new ATOM 0 HA TRP A 26 -0.860 -5.819 0.488 1.00 0.50 H new ATOM 0 HB2 TRP A 26 -2.765 -5.710 2.842 1.00 0.60 H new ATOM 0 HB3 TRP A 26 -1.027 -5.499 2.922 1.00 0.60 H new ATOM 0 HD1 TRP A 26 -4.211 -3.589 2.155 1.00 0.57 H new ATOM 0 HE1 TRP A 26 -3.652 -1.106 1.668 1.00 0.80 H new ATOM 0 HE3 TRP A 26 0.818 -4.065 1.803 1.00 1.12 H new ATOM 0 HZ2 TRP A 26 -1.303 0.402 1.188 1.00 1.35 H new ATOM 0 HZ3 TRP A 26 2.185 -2.081 1.322 1.00 1.45 H new ATOM 0 HH2 TRP A 26 1.140 0.130 1.022 1.00 1.56 H new ATOM 380 N GLU A 27 -2.443 -8.480 0.971 1.00 0.50 N ATOM 381 CA GLU A 27 -2.271 -9.889 1.227 1.00 0.61 C ATOM 382 C GLU A 27 -1.129 -10.407 0.378 1.00 0.73 C ATOM 383 O GLU A 27 -0.313 -11.213 0.826 1.00 0.86 O ATOM 384 CB GLU A 27 -3.558 -10.661 0.942 1.00 0.64 C ATOM 385 CG GLU A 27 -4.568 -10.609 2.077 1.00 0.62 C ATOM 386 CD GLU A 27 -4.172 -11.483 3.250 1.00 0.71 C ATOM 387 OE1 GLU A 27 -3.345 -11.036 4.072 1.00 0.70 O ATOM 388 OE2 GLU A 27 -4.689 -12.617 3.347 1.00 0.83 O ATOM 0 H GLU A 27 -3.293 -8.228 0.467 1.00 0.50 H new ATOM 0 HA GLU A 27 -2.034 -10.037 2.281 1.00 0.61 H new ATOM 0 HB2 GLU A 27 -4.019 -10.260 0.039 1.00 0.64 H new ATOM 0 HB3 GLU A 27 -3.309 -11.702 0.737 1.00 0.64 H new ATOM 0 HG2 GLU A 27 -4.675 -9.579 2.416 1.00 0.62 H new ATOM 0 HG3 GLU A 27 -5.543 -10.925 1.706 1.00 0.62 H new ATOM 395 N THR A 28 -1.081 -9.929 -0.858 1.00 0.72 N ATOM 396 CA THR A 28 -0.036 -10.325 -1.781 1.00 0.85 C ATOM 397 C THR A 28 1.252 -9.570 -1.491 1.00 0.93 C ATOM 398 O THR A 28 2.334 -10.016 -1.865 1.00 1.10 O ATOM 399 CB THR A 28 -0.445 -10.100 -3.251 1.00 0.84 C ATOM 400 OG1 THR A 28 0.200 -11.067 -4.089 1.00 1.49 O ATOM 401 CG2 THR A 28 -0.072 -8.701 -3.721 1.00 1.30 C ATOM 0 H THR A 28 -1.755 -9.267 -1.241 1.00 0.72 H new ATOM 0 HA THR A 28 0.126 -11.393 -1.634 1.00 0.85 H new ATOM 0 HB THR A 28 -1.527 -10.211 -3.318 1.00 0.84 H new ATOM 0 HG1 THR A 28 -0.065 -10.920 -5.021 1.00 1.49 H new ATOM 0 HG21 THR A 28 -0.373 -8.574 -4.761 1.00 1.30 H new ATOM 0 HG22 THR A 28 -0.581 -7.962 -3.103 1.00 1.30 H new ATOM 0 HG23 THR A 28 1.006 -8.564 -3.637 1.00 1.30 H new ATOM 409 N VAL A 29 1.136 -8.414 -0.828 1.00 0.82 N ATOM 410 CA VAL A 29 2.315 -7.614 -0.534 1.00 0.92 C ATOM 411 C VAL A 29 3.292 -8.370 0.331 1.00 1.02 C ATOM 412 O VAL A 29 4.495 -8.190 0.218 1.00 1.19 O ATOM 413 CB VAL A 29 1.999 -6.257 0.102 1.00 0.81 C ATOM 414 CG1 VAL A 29 1.065 -5.467 -0.798 1.00 0.82 C ATOM 415 CG2 VAL A 29 1.470 -6.420 1.512 1.00 0.65 C ATOM 0 H VAL A 29 0.255 -8.023 -0.494 1.00 0.82 H new ATOM 0 HA VAL A 29 2.770 -7.410 -1.504 1.00 0.92 H new ATOM 0 HB VAL A 29 2.920 -5.682 0.196 1.00 0.81 H new ATOM 0 HG11 VAL A 29 0.845 -4.503 -0.338 1.00 0.82 H new ATOM 0 HG12 VAL A 29 1.541 -5.307 -1.766 1.00 0.82 H new ATOM 0 HG13 VAL A 29 0.138 -6.022 -0.937 1.00 0.82 H new ATOM 0 HG21 VAL A 29 1.255 -5.439 1.936 1.00 0.65 H new ATOM 0 HG22 VAL A 29 0.556 -7.014 1.491 1.00 0.65 H new ATOM 0 HG23 VAL A 29 2.217 -6.924 2.125 1.00 0.65 H new ATOM 425 N GLY A 30 2.777 -9.220 1.199 1.00 0.97 N ATOM 426 CA GLY A 30 3.658 -10.026 2.025 1.00 1.12 C ATOM 427 C GLY A 30 4.691 -10.743 1.169 1.00 1.36 C ATOM 428 O GLY A 30 5.601 -11.395 1.679 1.00 1.52 O ATOM 0 H GLY A 30 1.779 -9.369 1.350 1.00 0.97 H new ATOM 0 HA2 GLY A 30 4.161 -9.392 2.755 1.00 1.12 H new ATOM 0 HA3 GLY A 30 3.073 -10.756 2.585 1.00 1.12 H new ATOM 432 N MET A 31 4.513 -10.623 -0.148 1.00 1.40 N ATOM 433 CA MET A 31 5.408 -11.202 -1.133 1.00 1.65 C ATOM 434 C MET A 31 6.282 -10.118 -1.761 1.00 1.73 C ATOM 435 O MET A 31 7.494 -10.081 -1.549 1.00 1.88 O ATOM 436 CB MET A 31 4.594 -11.877 -2.229 1.00 1.76 C ATOM 437 CG MET A 31 3.642 -12.942 -1.717 1.00 1.61 C ATOM 438 SD MET A 31 4.406 -14.044 -0.511 1.00 2.26 S ATOM 439 CE MET A 31 3.001 -15.043 -0.024 1.00 3.02 C ATOM 0 H MET A 31 3.731 -10.113 -0.559 1.00 1.40 H new ATOM 0 HA MET A 31 6.045 -11.934 -0.636 1.00 1.65 H new ATOM 0 HB2 MET A 31 4.022 -11.118 -2.763 1.00 1.76 H new ATOM 0 HB3 MET A 31 5.276 -12.329 -2.949 1.00 1.76 H new ATOM 0 HG2 MET A 31 2.776 -12.460 -1.264 1.00 1.61 H new ATOM 0 HG3 MET A 31 3.276 -13.530 -2.559 1.00 1.61 H new ATOM 0 HE1 MET A 31 3.315 -15.774 0.721 1.00 3.02 H new ATOM 0 HE2 MET A 31 2.228 -14.402 0.400 1.00 3.02 H new ATOM 0 HE3 MET A 31 2.603 -15.561 -0.896 1.00 3.02 H new ATOM 449 N LEU A 32 5.647 -9.236 -2.537 1.00 1.67 N ATOM 450 CA LEU A 32 6.356 -8.147 -3.205 1.00 1.80 C ATOM 451 C LEU A 32 7.026 -7.239 -2.184 1.00 1.77 C ATOM 452 O LEU A 32 8.154 -6.789 -2.377 1.00 1.92 O ATOM 453 CB LEU A 32 5.400 -7.343 -4.095 1.00 1.76 C ATOM 454 CG LEU A 32 4.342 -6.519 -3.361 1.00 1.52 C ATOM 455 CD1 LEU A 32 4.847 -5.109 -3.089 1.00 1.59 C ATOM 456 CD2 LEU A 32 3.051 -6.478 -4.163 1.00 1.43 C ATOM 0 H LEU A 32 4.643 -9.257 -2.717 1.00 1.67 H new ATOM 0 HA LEU A 32 7.129 -8.581 -3.839 1.00 1.80 H new ATOM 0 HB2 LEU A 32 5.991 -6.670 -4.716 1.00 1.76 H new ATOM 0 HB3 LEU A 32 4.893 -8.034 -4.768 1.00 1.76 H new ATOM 0 HG LEU A 32 4.140 -6.998 -2.403 1.00 1.52 H new ATOM 0 HD11 LEU A 32 4.077 -4.541 -2.566 1.00 1.59 H new ATOM 0 HD12 LEU A 32 5.745 -5.157 -2.472 1.00 1.59 H new ATOM 0 HD13 LEU A 32 5.081 -4.618 -4.033 1.00 1.59 H new ATOM 0 HD21 LEU A 32 2.308 -5.888 -3.627 1.00 1.43 H new ATOM 0 HD22 LEU A 32 3.241 -6.025 -5.136 1.00 1.43 H new ATOM 0 HD23 LEU A 32 2.677 -7.492 -4.302 1.00 1.43 H new ATOM 468 N PHE A 33 6.316 -6.981 -1.098 1.00 1.58 N ATOM 469 CA PHE A 33 6.822 -6.133 -0.028 1.00 1.55 C ATOM 470 C PHE A 33 8.011 -6.806 0.634 1.00 1.67 C ATOM 471 O PHE A 33 8.993 -6.160 0.984 1.00 1.79 O ATOM 472 CB PHE A 33 5.721 -5.858 1.009 1.00 1.32 C ATOM 473 CG PHE A 33 6.073 -4.821 2.049 1.00 1.38 C ATOM 474 CD1 PHE A 33 7.149 -3.961 1.876 1.00 1.60 C ATOM 475 CD2 PHE A 33 5.310 -4.704 3.201 1.00 1.38 C ATOM 476 CE1 PHE A 33 7.457 -3.010 2.830 1.00 1.70 C ATOM 477 CE2 PHE A 33 5.615 -3.755 4.159 1.00 1.50 C ATOM 478 CZ PHE A 33 6.689 -2.907 3.973 1.00 1.60 C ATOM 0 H PHE A 33 5.379 -7.350 -0.932 1.00 1.58 H new ATOM 0 HA PHE A 33 7.138 -5.179 -0.451 1.00 1.55 H new ATOM 0 HB2 PHE A 33 4.821 -5.536 0.485 1.00 1.32 H new ATOM 0 HB3 PHE A 33 5.478 -6.792 1.516 1.00 1.32 H new ATOM 0 HD1 PHE A 33 7.753 -4.036 0.984 1.00 1.60 H new ATOM 0 HD2 PHE A 33 4.467 -5.362 3.352 1.00 1.38 H new ATOM 0 HE1 PHE A 33 8.297 -2.348 2.682 1.00 1.70 H new ATOM 0 HE2 PHE A 33 5.014 -3.677 5.053 1.00 1.50 H new ATOM 0 HZ PHE A 33 6.928 -2.165 4.720 1.00 1.60 H new ATOM 488 N ASP A 34 7.905 -8.119 0.792 1.00 1.68 N ATOM 489 CA ASP A 34 8.954 -8.910 1.411 1.00 1.83 C ATOM 490 C ASP A 34 10.245 -8.828 0.608 1.00 2.12 C ATOM 491 O ASP A 34 11.341 -8.839 1.169 1.00 2.24 O ATOM 492 CB ASP A 34 8.500 -10.362 1.513 1.00 1.89 C ATOM 493 CG ASP A 34 8.913 -11.009 2.821 1.00 2.14 C ATOM 494 OD1 ASP A 34 10.028 -11.571 2.879 1.00 2.48 O ATOM 495 OD2 ASP A 34 8.123 -10.956 3.786 1.00 2.18 O ATOM 0 H ASP A 34 7.093 -8.661 0.496 1.00 1.68 H new ATOM 0 HA ASP A 34 9.147 -8.512 2.407 1.00 1.83 H new ATOM 0 HB2 ASP A 34 7.415 -10.408 1.415 1.00 1.89 H new ATOM 0 HB3 ASP A 34 8.919 -10.930 0.682 1.00 1.89 H new ATOM 500 N SER A 35 10.102 -8.745 -0.710 1.00 2.27 N ATOM 501 CA SER A 35 11.251 -8.667 -1.600 1.00 2.60 C ATOM 502 C SER A 35 12.111 -7.453 -1.274 1.00 2.71 C ATOM 503 O SER A 35 13.305 -7.429 -1.572 1.00 3.04 O ATOM 504 CB SER A 35 10.792 -8.605 -3.059 1.00 2.65 C ATOM 505 OG SER A 35 10.055 -9.763 -3.411 1.00 3.17 O ATOM 0 H SER A 35 9.199 -8.730 -1.185 1.00 2.27 H new ATOM 0 HA SER A 35 11.852 -9.565 -1.454 1.00 2.60 H new ATOM 0 HB2 SER A 35 10.177 -7.718 -3.213 1.00 2.65 H new ATOM 0 HB3 SER A 35 11.659 -8.509 -3.713 1.00 2.65 H new ATOM 0 HG SER A 35 9.256 -9.826 -2.847 1.00 3.17 H new ATOM 511 N LEU A 36 11.498 -6.445 -0.660 1.00 2.48 N ATOM 512 CA LEU A 36 12.219 -5.232 -0.299 1.00 2.64 C ATOM 513 C LEU A 36 11.664 -4.599 0.973 1.00 2.36 C ATOM 514 O LEU A 36 11.623 -3.375 1.108 1.00 2.41 O ATOM 515 CB LEU A 36 12.173 -4.226 -1.449 1.00 2.80 C ATOM 516 CG LEU A 36 10.782 -3.963 -2.029 1.00 2.42 C ATOM 517 CD1 LEU A 36 10.695 -2.550 -2.581 1.00 2.53 C ATOM 518 CD2 LEU A 36 10.460 -4.976 -3.117 1.00 2.66 C ATOM 0 H LEU A 36 10.511 -6.445 -0.404 1.00 2.48 H new ATOM 0 HA LEU A 36 13.254 -5.512 -0.105 1.00 2.64 H new ATOM 0 HB2 LEU A 36 12.588 -3.281 -1.100 1.00 2.80 H new ATOM 0 HB3 LEU A 36 12.821 -4.583 -2.249 1.00 2.80 H new ATOM 0 HG LEU A 36 10.049 -4.068 -1.229 1.00 2.42 H new ATOM 0 HD11 LEU A 36 9.699 -2.380 -2.990 1.00 2.53 H new ATOM 0 HD12 LEU A 36 10.886 -1.835 -1.781 1.00 2.53 H new ATOM 0 HD13 LEU A 36 11.437 -2.421 -3.369 1.00 2.53 H new ATOM 0 HD21 LEU A 36 9.467 -4.775 -3.519 1.00 2.66 H new ATOM 0 HD22 LEU A 36 11.197 -4.899 -3.916 1.00 2.66 H new ATOM 0 HD23 LEU A 36 10.484 -5.981 -2.697 1.00 2.66 H new ATOM 530 N GLY A 37 11.218 -5.442 1.889 1.00 2.15 N ATOM 531 CA GLY A 37 10.718 -4.973 3.166 1.00 1.97 C ATOM 532 C GLY A 37 11.354 -5.766 4.273 1.00 2.17 C ATOM 533 O GLY A 37 11.721 -5.238 5.323 1.00 2.46 O ATOM 0 H GLY A 37 11.193 -6.455 1.770 1.00 2.15 H new ATOM 0 HA2 GLY A 37 10.940 -3.913 3.289 1.00 1.97 H new ATOM 0 HA3 GLY A 37 9.634 -5.078 3.205 1.00 1.97 H new ATOM 537 N LYS A 38 11.475 -7.053 4.009 1.00 2.16 N ATOM 538 CA LYS A 38 12.093 -7.985 4.928 1.00 2.45 C ATOM 539 C LYS A 38 13.591 -7.846 4.803 1.00 2.83 C ATOM 540 O LYS A 38 14.314 -7.700 5.790 1.00 3.03 O ATOM 541 CB LYS A 38 11.660 -9.414 4.604 1.00 2.69 C ATOM 542 CG LYS A 38 11.071 -10.158 5.792 1.00 2.85 C ATOM 543 CD LYS A 38 9.830 -9.460 6.326 1.00 2.55 C ATOM 544 CE LYS A 38 9.258 -10.188 7.532 1.00 2.89 C ATOM 545 NZ LYS A 38 8.092 -9.468 8.114 1.00 3.43 N ATOM 0 H LYS A 38 11.145 -7.482 3.145 1.00 2.16 H new ATOM 0 HA LYS A 38 11.783 -7.766 5.950 1.00 2.45 H new ATOM 0 HB2 LYS A 38 10.923 -9.388 3.801 1.00 2.69 H new ATOM 0 HB3 LYS A 38 12.520 -9.969 4.229 1.00 2.69 H new ATOM 0 HG2 LYS A 38 10.818 -11.176 5.496 1.00 2.85 H new ATOM 0 HG3 LYS A 38 11.817 -10.232 6.583 1.00 2.85 H new ATOM 0 HD2 LYS A 38 10.078 -8.435 6.602 1.00 2.55 H new ATOM 0 HD3 LYS A 38 9.076 -9.405 5.541 1.00 2.55 H new ATOM 0 HE2 LYS A 38 8.955 -11.193 7.239 1.00 2.89 H new ATOM 0 HE3 LYS A 38 10.033 -10.297 8.291 1.00 2.89 H new ATOM 0 HZ1 LYS A 38 7.731 -9.997 8.934 1.00 3.43 H new ATOM 0 HZ2 LYS A 38 8.387 -8.518 8.417 1.00 3.43 H new ATOM 0 HZ3 LYS A 38 7.342 -9.386 7.398 1.00 3.43 H new ATOM 559 N GLY A 39 14.042 -7.893 3.555 1.00 3.01 N ATOM 560 CA GLY A 39 15.444 -7.752 3.265 1.00 3.45 C ATOM 561 C GLY A 39 15.879 -6.317 3.381 1.00 3.21 C ATOM 562 O GLY A 39 17.037 -6.035 3.692 1.00 3.53 O ATOM 0 H GLY A 39 13.450 -8.028 2.736 1.00 3.01 H new ATOM 0 HA2 GLY A 39 16.024 -8.368 3.952 1.00 3.45 H new ATOM 0 HA3 GLY A 39 15.649 -8.117 2.259 1.00 3.45 H new ATOM 566 N THR A 40 14.948 -5.400 3.129 1.00 2.83 N ATOM 567 CA THR A 40 15.258 -3.989 3.212 1.00 3.01 C ATOM 568 C THR A 40 15.601 -3.589 4.638 1.00 3.24 C ATOM 569 O THR A 40 16.497 -2.782 4.863 1.00 3.81 O ATOM 570 CB THR A 40 14.129 -3.092 2.668 1.00 3.45 C ATOM 571 OG1 THR A 40 14.687 -1.892 2.122 1.00 3.76 O ATOM 572 CG2 THR A 40 13.135 -2.729 3.758 1.00 3.89 C ATOM 0 H THR A 40 13.985 -5.613 2.869 1.00 2.83 H new ATOM 0 HA THR A 40 16.129 -3.832 2.575 1.00 3.01 H new ATOM 0 HB THR A 40 13.603 -3.649 1.893 1.00 3.45 H new ATOM 0 HG1 THR A 40 13.967 -1.325 1.776 1.00 3.76 H new ATOM 0 HG21 THR A 40 12.352 -2.096 3.340 1.00 3.89 H new ATOM 0 HG22 THR A 40 12.690 -3.638 4.162 1.00 3.89 H new ATOM 0 HG23 THR A 40 13.649 -2.192 4.555 1.00 3.89 H new ATOM 580 N MET A 41 14.870 -4.153 5.592 1.00 3.05 N ATOM 581 CA MET A 41 15.098 -3.878 7.003 1.00 3.60 C ATOM 582 C MET A 41 16.583 -3.962 7.327 1.00 4.19 C ATOM 583 O MET A 41 17.095 -3.198 8.144 1.00 4.89 O ATOM 584 CB MET A 41 14.308 -4.859 7.871 1.00 3.46 C ATOM 585 CG MET A 41 12.981 -4.301 8.361 1.00 3.81 C ATOM 586 SD MET A 41 12.120 -5.425 9.479 1.00 4.10 S ATOM 587 CE MET A 41 11.687 -6.755 8.360 1.00 4.50 C ATOM 0 H MET A 41 14.109 -4.808 5.411 1.00 3.05 H new ATOM 0 HA MET A 41 14.753 -2.867 7.219 1.00 3.60 H new ATOM 0 HB2 MET A 41 14.122 -5.769 7.300 1.00 3.46 H new ATOM 0 HB3 MET A 41 14.915 -5.141 8.732 1.00 3.46 H new ATOM 0 HG2 MET A 41 13.156 -3.353 8.870 1.00 3.81 H new ATOM 0 HG3 MET A 41 12.342 -4.089 7.503 1.00 3.81 H new ATOM 0 HE1 MET A 41 11.057 -7.477 8.880 1.00 4.50 H new ATOM 0 HE2 MET A 41 11.145 -6.350 7.505 1.00 4.50 H new ATOM 0 HE3 MET A 41 12.595 -7.249 8.013 1.00 4.50 H new ATOM 597 N ARG A 42 17.270 -4.898 6.678 1.00 4.16 N ATOM 598 CA ARG A 42 18.701 -5.060 6.872 1.00 4.95 C ATOM 599 C ARG A 42 19.440 -3.884 6.251 1.00 5.24 C ATOM 600 O ARG A 42 20.376 -3.341 6.835 1.00 5.94 O ATOM 601 CB ARG A 42 19.176 -6.366 6.263 1.00 5.14 C ATOM 602 CG ARG A 42 20.662 -6.398 5.932 1.00 6.04 C ATOM 603 CD ARG A 42 21.094 -7.767 5.432 1.00 6.72 C ATOM 604 NE ARG A 42 20.989 -8.787 6.471 1.00 6.97 N ATOM 605 CZ ARG A 42 21.087 -10.093 6.237 1.00 7.61 C ATOM 606 NH1 ARG A 42 21.278 -10.536 5.001 1.00 7.98 N ATOM 607 NH2 ARG A 42 20.990 -10.956 7.240 1.00 8.11 N ATOM 0 H ARG A 42 16.856 -5.553 6.015 1.00 4.16 H new ATOM 0 HA ARG A 42 18.912 -5.087 7.941 1.00 4.95 H new ATOM 0 HB2 ARG A 42 18.952 -7.179 6.954 1.00 5.14 H new ATOM 0 HB3 ARG A 42 18.608 -6.557 5.352 1.00 5.14 H new ATOM 0 HG2 ARG A 42 20.883 -5.647 5.174 1.00 6.04 H new ATOM 0 HG3 ARG A 42 21.239 -6.135 6.819 1.00 6.04 H new ATOM 0 HD2 ARG A 42 20.477 -8.053 4.580 1.00 6.72 H new ATOM 0 HD3 ARG A 42 22.123 -7.715 5.078 1.00 6.72 H new ATOM 0 HE ARG A 42 20.832 -8.481 7.431 1.00 6.97 H new ATOM 0 HH11 ARG A 42 21.350 -9.875 4.228 1.00 7.98 H new ATOM 0 HH12 ARG A 42 21.353 -11.538 4.824 1.00 7.98 H new ATOM 0 HH21 ARG A 42 20.840 -10.618 8.191 1.00 8.11 H new ATOM 0 HH22 ARG A 42 21.065 -11.957 7.060 1.00 8.11 H new ATOM 621 N ILE A 43 18.999 -3.495 5.059 1.00 4.83 N ATOM 622 CA ILE A 43 19.588 -2.374 4.343 1.00 5.13 C ATOM 623 C ILE A 43 19.490 -1.112 5.180 1.00 5.47 C ATOM 624 O ILE A 43 20.469 -0.395 5.360 1.00 6.14 O ATOM 625 CB ILE A 43 18.864 -2.133 3.007 1.00 4.73 C ATOM 626 CG1 ILE A 43 18.698 -3.450 2.246 1.00 4.70 C ATOM 627 CG2 ILE A 43 19.619 -1.110 2.174 1.00 5.16 C ATOM 628 CD1 ILE A 43 17.930 -3.313 0.946 1.00 4.63 C ATOM 0 H ILE A 43 18.228 -3.946 4.566 1.00 4.83 H new ATOM 0 HA ILE A 43 20.633 -2.616 4.148 1.00 5.13 H new ATOM 0 HB ILE A 43 17.870 -1.735 3.212 1.00 4.73 H new ATOM 0 HG12 ILE A 43 19.684 -3.862 2.033 1.00 4.70 H new ATOM 0 HG13 ILE A 43 18.184 -4.167 2.887 1.00 4.70 H new ATOM 0 HG21 ILE A 43 19.095 -0.950 1.232 1.00 5.16 H new ATOM 0 HG22 ILE A 43 19.679 -0.169 2.720 1.00 5.16 H new ATOM 0 HG23 ILE A 43 20.625 -1.477 1.972 1.00 5.16 H new ATOM 0 HD11 ILE A 43 17.854 -4.288 0.464 1.00 4.63 H new ATOM 0 HD12 ILE A 43 16.930 -2.931 1.153 1.00 4.63 H new ATOM 0 HD13 ILE A 43 18.453 -2.622 0.285 1.00 4.63 H new ATOM 640 N ASN A 44 18.286 -0.848 5.667 1.00 5.18 N ATOM 641 CA ASN A 44 18.012 0.313 6.499 1.00 5.77 C ATOM 642 C ASN A 44 18.820 0.270 7.786 1.00 6.52 C ATOM 643 O ASN A 44 19.488 1.240 8.135 1.00 7.25 O ATOM 644 CB ASN A 44 16.525 0.359 6.823 1.00 5.52 C ATOM 645 CG ASN A 44 15.686 0.800 5.638 1.00 5.43 C ATOM 646 OD1 ASN A 44 15.453 1.991 5.436 1.00 6.04 O ATOM 647 ND2 ASN A 44 15.224 -0.164 4.850 1.00 4.85 N ATOM 0 H ASN A 44 17.470 -1.435 5.495 1.00 5.18 H new ATOM 0 HA ASN A 44 18.301 1.209 5.950 1.00 5.77 H new ATOM 0 HB2 ASN A 44 16.197 -0.628 7.149 1.00 5.52 H new ATOM 0 HB3 ASN A 44 16.359 1.042 7.656 1.00 5.52 H new ATOM 0 HD21 ASN A 44 14.651 0.071 4.039 1.00 4.85 H new ATOM 0 HD22 ASN A 44 15.442 -1.139 5.055 1.00 4.85 H new ATOM 654 N ARG A 45 18.751 -0.857 8.489 1.00 6.45 N ATOM 655 CA ARG A 45 19.483 -1.014 9.739 1.00 7.27 C ATOM 656 C ARG A 45 20.945 -0.700 9.529 1.00 7.88 C ATOM 657 O ARG A 45 21.547 0.035 10.308 1.00 8.68 O ATOM 658 CB ARG A 45 19.349 -2.434 10.278 1.00 7.14 C ATOM 659 CG ARG A 45 18.043 -2.695 10.995 1.00 7.36 C ATOM 660 CD ARG A 45 17.922 -1.873 12.270 1.00 7.91 C ATOM 661 NE ARG A 45 19.028 -2.123 13.193 1.00 8.42 N ATOM 662 CZ ARG A 45 18.888 -2.187 14.514 1.00 9.23 C ATOM 663 NH1 ARG A 45 17.692 -2.036 15.067 1.00 9.60 N ATOM 664 NH2 ARG A 45 19.945 -2.409 15.283 1.00 9.82 N ATOM 0 H ARG A 45 18.199 -1.670 8.215 1.00 6.45 H new ATOM 0 HA ARG A 45 19.057 -0.320 10.464 1.00 7.27 H new ATOM 0 HB2 ARG A 45 19.445 -3.137 9.451 1.00 7.14 H new ATOM 0 HB3 ARG A 45 20.174 -2.632 10.962 1.00 7.14 H new ATOM 0 HG2 ARG A 45 17.211 -2.460 10.331 1.00 7.36 H new ATOM 0 HG3 ARG A 45 17.968 -3.755 11.238 1.00 7.36 H new ATOM 0 HD2 ARG A 45 17.895 -0.813 12.016 1.00 7.91 H new ATOM 0 HD3 ARG A 45 16.979 -2.107 12.763 1.00 7.91 H new ATOM 0 HE ARG A 45 19.960 -2.256 12.801 1.00 8.42 H new ATOM 0 HH11 ARG A 45 16.875 -1.870 14.479 1.00 9.60 H new ATOM 0 HH12 ARG A 45 17.589 -2.086 16.081 1.00 9.60 H new ATOM 0 HH21 ARG A 45 20.866 -2.531 14.861 1.00 9.82 H new ATOM 0 HH22 ARG A 45 19.837 -2.458 16.296 1.00 9.82 H new ATOM 678 N ASN A 46 21.520 -1.267 8.478 1.00 7.60 N ATOM 679 CA ASN A 46 22.911 -1.010 8.179 1.00 8.22 C ATOM 680 C ASN A 46 23.054 0.449 7.777 1.00 8.45 C ATOM 681 O ASN A 46 24.004 1.129 8.163 1.00 9.20 O ATOM 682 CB ASN A 46 23.415 -1.931 7.064 1.00 7.95 C ATOM 683 CG ASN A 46 23.707 -3.335 7.560 1.00 8.02 C ATOM 684 OD1 ASN A 46 24.665 -3.557 8.301 1.00 8.72 O ATOM 685 ND2 ASN A 46 22.892 -4.295 7.139 1.00 7.37 N ATOM 0 H ASN A 46 21.049 -1.898 7.830 1.00 7.60 H new ATOM 0 HA ASN A 46 23.517 -1.213 9.062 1.00 8.22 H new ATOM 0 HB2 ASN A 46 22.670 -1.977 6.270 1.00 7.95 H new ATOM 0 HB3 ASN A 46 24.320 -1.507 6.628 1.00 7.95 H new ATOM 0 HD21 ASN A 46 23.048 -5.260 7.429 1.00 7.37 H new ATOM 0 HD22 ASN A 46 22.110 -4.067 6.525 1.00 7.37 H new ATOM 692 N ALA A 47 22.087 0.916 6.991 1.00 7.85 N ATOM 693 CA ALA A 47 22.051 2.301 6.546 1.00 8.12 C ATOM 694 C ALA A 47 21.754 3.221 7.723 1.00 8.87 C ATOM 695 O ALA A 47 21.663 4.437 7.570 1.00 9.50 O ATOM 696 CB ALA A 47 21.012 2.488 5.449 1.00 7.44 C ATOM 0 H ALA A 47 21.313 0.347 6.648 1.00 7.85 H new ATOM 0 HA ALA A 47 23.028 2.559 6.136 1.00 8.12 H new ATOM 0 HB1 ALA A 47 21.002 3.531 5.131 1.00 7.44 H new ATOM 0 HB2 ALA A 47 21.261 1.852 4.600 1.00 7.44 H new ATOM 0 HB3 ALA A 47 20.028 2.215 5.830 1.00 7.44 H new ATOM 702 N TYR A 48 21.530 2.619 8.886 1.00 8.85 N ATOM 703 CA TYR A 48 21.262 3.375 10.099 1.00 9.62 C ATOM 704 C TYR A 48 22.257 3.044 11.212 1.00 10.45 C ATOM 705 O TYR A 48 22.326 3.748 12.220 1.00 11.25 O ATOM 706 CB TYR A 48 19.851 3.080 10.567 1.00 9.38 C ATOM 707 CG TYR A 48 18.902 4.237 10.391 1.00 9.74 C ATOM 708 CD1 TYR A 48 18.431 4.577 9.131 1.00 9.60 C ATOM 709 CD2 TYR A 48 18.477 4.990 11.478 1.00 10.35 C ATOM 710 CE1 TYR A 48 17.562 5.637 8.957 1.00 10.10 C ATOM 711 CE2 TYR A 48 17.608 6.052 11.314 1.00 10.80 C ATOM 712 CZ TYR A 48 17.154 6.371 10.052 1.00 10.68 C ATOM 713 OH TYR A 48 16.288 7.427 9.882 1.00 11.26 O ATOM 0 H TYR A 48 21.529 1.607 9.012 1.00 8.85 H new ATOM 0 HA TYR A 48 21.371 4.435 9.868 1.00 9.62 H new ATOM 0 HB2 TYR A 48 19.468 2.220 10.018 1.00 9.38 H new ATOM 0 HB3 TYR A 48 19.878 2.800 11.620 1.00 9.38 H new ATOM 0 HD1 TYR A 48 18.749 4.004 8.272 1.00 9.60 H new ATOM 0 HD2 TYR A 48 18.831 4.742 12.467 1.00 10.35 H new ATOM 0 HE1 TYR A 48 17.204 5.890 7.970 1.00 10.10 H new ATOM 0 HE2 TYR A 48 17.287 6.628 12.169 1.00 10.80 H new ATOM 0 HH TYR A 48 16.099 7.838 10.751 1.00 11.26 H new ATOM 723 N GLY A 49 23.020 1.972 11.027 1.00 10.32 N ATOM 724 CA GLY A 49 23.993 1.565 12.030 1.00 11.16 C ATOM 725 C GLY A 49 25.023 2.642 12.313 1.00 11.87 C ATOM 726 O GLY A 49 25.753 2.573 13.301 1.00 12.64 O ATOM 0 H GLY A 49 22.984 1.376 10.200 1.00 10.32 H new ATOM 0 HA2 GLY A 49 23.473 1.313 12.954 1.00 11.16 H new ATOM 0 HA3 GLY A 49 24.501 0.661 11.693 1.00 11.16 H new ATOM 730 N SER A 50 25.066 3.642 11.442 1.00 11.66 N ATOM 731 CA SER A 50 26.003 4.755 11.570 1.00 12.32 C ATOM 732 C SER A 50 25.601 5.887 10.633 1.00 12.14 C ATOM 733 O SER A 50 25.818 7.063 10.923 1.00 12.80 O ATOM 734 CB SER A 50 27.428 4.299 11.246 1.00 12.35 C ATOM 735 OG SER A 50 27.890 3.342 12.182 1.00 12.96 O ATOM 0 H SER A 50 24.455 3.706 10.628 1.00 11.66 H new ATOM 0 HA SER A 50 25.974 5.112 12.600 1.00 12.32 H new ATOM 0 HB2 SER A 50 27.456 3.872 10.243 1.00 12.35 H new ATOM 0 HB3 SER A 50 28.096 5.160 11.245 1.00 12.35 H new ATOM 0 HG SER A 50 27.234 3.248 12.904 1.00 12.96 H new ATOM 741 N MET A 51 25.013 5.511 9.503 1.00 11.31 N ATOM 742 CA MET A 51 24.562 6.466 8.502 1.00 11.18 C ATOM 743 C MET A 51 23.341 7.240 8.990 1.00 11.47 C ATOM 744 O MET A 51 23.120 8.383 8.591 1.00 11.79 O ATOM 745 CB MET A 51 24.214 5.718 7.217 1.00 10.23 C ATOM 746 CG MET A 51 25.412 5.068 6.546 1.00 10.00 C ATOM 747 SD MET A 51 26.730 6.242 6.178 1.00 10.24 S ATOM 748 CE MET A 51 27.948 5.162 5.430 1.00 10.49 C ATOM 0 H MET A 51 24.837 4.537 9.257 1.00 11.31 H new ATOM 0 HA MET A 51 25.365 7.180 8.316 1.00 11.18 H new ATOM 0 HB2 MET A 51 23.474 4.950 7.443 1.00 10.23 H new ATOM 0 HB3 MET A 51 23.749 6.412 6.517 1.00 10.23 H new ATOM 0 HG2 MET A 51 25.802 4.282 7.192 1.00 10.00 H new ATOM 0 HG3 MET A 51 25.089 4.590 5.621 1.00 10.00 H new ATOM 0 HE1 MET A 51 28.825 5.744 5.147 1.00 10.49 H new ATOM 0 HE2 MET A 51 28.238 4.391 6.144 1.00 10.49 H new ATOM 0 HE3 MET A 51 27.522 4.693 4.543 1.00 10.49 H new ATOM 758 N GLY A 52 22.555 6.607 9.854 1.00 11.45 N ATOM 759 CA GLY A 52 21.360 7.244 10.378 1.00 11.79 C ATOM 760 C GLY A 52 21.460 7.546 11.859 1.00 12.77 C ATOM 761 O GLY A 52 20.481 7.414 12.593 1.00 12.99 O ATOM 0 H GLY A 52 22.724 5.663 10.201 1.00 11.45 H new ATOM 0 HA2 GLY A 52 21.179 8.171 9.834 1.00 11.79 H new ATOM 0 HA3 GLY A 52 20.501 6.597 10.200 1.00 11.79 H new ATOM 765 N GLY A 53 22.647 7.951 12.298 1.00 13.41 N ATOM 766 CA GLY A 53 22.851 8.269 13.697 1.00 14.40 C ATOM 767 C GLY A 53 24.125 9.055 13.931 1.00 14.97 C ATOM 768 O GLY A 53 24.419 9.454 15.058 1.00 15.68 O ATOM 0 H GLY A 53 23.472 8.064 11.708 1.00 13.41 H new ATOM 0 HA2 GLY A 53 22.000 8.843 14.064 1.00 14.40 H new ATOM 0 HA3 GLY A 53 22.886 7.346 14.275 1.00 14.40 H new ATOM 772 N GLY A 54 24.882 9.278 12.860 1.00 14.70 N ATOM 773 CA GLY A 54 26.124 10.022 12.970 1.00 15.26 C ATOM 774 C GLY A 54 26.380 10.903 11.762 1.00 15.08 C ATOM 775 O GLY A 54 26.702 12.082 11.902 1.00 15.71 O ATOM 0 H GLY A 54 24.657 8.957 11.918 1.00 14.70 H new ATOM 0 HA2 GLY A 54 26.096 10.640 13.867 1.00 15.26 H new ATOM 0 HA3 GLY A 54 26.953 9.324 13.089 1.00 15.26 H new ATOM 779 N SER A 55 26.237 10.326 10.572 1.00 14.29 N ATOM 780 CA SER A 55 26.455 11.064 9.333 1.00 14.15 C ATOM 781 C SER A 55 25.333 12.062 9.094 1.00 14.54 C ATOM 782 O SER A 55 25.575 13.255 8.908 1.00 14.92 O ATOM 783 CB SER A 55 26.535 10.104 8.148 1.00 13.60 C ATOM 784 OG SER A 55 27.499 10.537 7.202 1.00 13.44 O ATOM 0 H SER A 55 25.971 9.350 10.440 1.00 14.29 H new ATOM 0 HA SER A 55 27.397 11.604 9.427 1.00 14.15 H new ATOM 0 HB2 SER A 55 26.792 9.106 8.502 1.00 13.60 H new ATOM 0 HB3 SER A 55 25.559 10.031 7.669 1.00 13.60 H new ATOM 0 HG SER A 55 27.531 9.904 6.455 1.00 13.44 H new ATOM 790 N LEU A 56 24.103 11.563 9.102 1.00 14.54 N ATOM 791 CA LEU A 56 22.939 12.405 8.870 1.00 15.04 C ATOM 792 C LEU A 56 22.113 12.559 10.141 1.00 15.71 C ATOM 793 O LEU A 56 21.352 13.514 10.290 1.00 16.22 O ATOM 794 CB LEU A 56 22.087 11.814 7.754 1.00 14.95 C ATOM 795 CG LEU A 56 22.897 11.203 6.618 1.00 14.50 C ATOM 796 CD1 LEU A 56 21.992 10.474 5.639 1.00 14.22 C ATOM 797 CD2 LEU A 56 23.716 12.268 5.904 1.00 14.72 C ATOM 0 H LEU A 56 23.887 10.580 9.267 1.00 14.54 H new ATOM 0 HA LEU A 56 23.284 13.395 8.571 1.00 15.04 H new ATOM 0 HB2 LEU A 56 21.434 11.049 8.175 1.00 14.95 H new ATOM 0 HB3 LEU A 56 21.443 12.595 7.349 1.00 14.95 H new ATOM 0 HG LEU A 56 23.586 10.476 7.048 1.00 14.50 H new ATOM 0 HD11 LEU A 56 22.593 10.046 4.837 1.00 14.22 H new ATOM 0 HD12 LEU A 56 21.461 9.677 6.159 1.00 14.22 H new ATOM 0 HD13 LEU A 56 21.272 11.175 5.218 1.00 14.22 H new ATOM 0 HD21 LEU A 56 24.286 11.808 5.097 1.00 14.72 H new ATOM 0 HD22 LEU A 56 23.048 13.025 5.492 1.00 14.72 H new ATOM 0 HD23 LEU A 56 24.401 12.735 6.611 1.00 14.72 H new ATOM 809 N ARG A 57 22.290 11.608 11.058 1.00 15.83 N ATOM 810 CA ARG A 57 21.580 11.597 12.329 1.00 16.60 C ATOM 811 C ARG A 57 20.082 11.844 12.154 1.00 17.02 C ATOM 812 O ARG A 57 19.404 12.276 13.086 1.00 17.78 O ATOM 813 CB ARG A 57 22.178 12.629 13.277 1.00 16.99 C ATOM 814 CG ARG A 57 23.594 13.043 12.928 1.00 17.13 C ATOM 815 CD ARG A 57 24.358 13.500 14.159 1.00 17.74 C ATOM 816 NE ARG A 57 23.611 14.491 14.928 1.00 18.45 N ATOM 817 CZ ARG A 57 24.147 15.234 15.892 1.00 19.12 C ATOM 818 NH1 ARG A 57 25.429 15.096 16.205 1.00 19.18 N ATOM 819 NH2 ARG A 57 23.401 16.114 16.546 1.00 19.83 N ATOM 0 H ARG A 57 22.931 10.824 10.937 1.00 15.83 H new ATOM 0 HA ARG A 57 21.698 10.602 12.758 1.00 16.60 H new ATOM 0 HB2 ARG A 57 21.542 13.515 13.281 1.00 16.99 H new ATOM 0 HB3 ARG A 57 22.168 12.225 14.289 1.00 16.99 H new ATOM 0 HG2 ARG A 57 24.116 12.206 12.464 1.00 17.13 H new ATOM 0 HG3 ARG A 57 23.569 13.848 12.194 1.00 17.13 H new ATOM 0 HD2 ARG A 57 24.576 12.639 14.791 1.00 17.74 H new ATOM 0 HD3 ARG A 57 25.316 13.923 13.855 1.00 17.74 H new ATOM 0 HE ARG A 57 22.622 14.621 14.714 1.00 18.45 H new ATOM 0 HH11 ARG A 57 26.006 14.419 15.706 1.00 19.18 H new ATOM 0 HH12 ARG A 57 25.838 15.667 16.945 1.00 19.18 H new ATOM 0 HH21 ARG A 57 22.415 16.222 16.310 1.00 19.83 H new ATOM 0 HH22 ARG A 57 23.814 16.683 17.285 1.00 19.83 H new ATOM 833 N GLY A 58 19.573 11.556 10.959 1.00 16.61 N ATOM 834 CA GLY A 58 18.157 11.743 10.683 1.00 17.09 C ATOM 835 C GLY A 58 17.681 13.158 10.962 1.00 17.16 C ATOM 836 O GLY A 58 16.521 13.371 11.313 1.00 17.62 O ATOM 0 H GLY A 58 20.116 11.196 10.175 1.00 16.61 H new ATOM 0 HA2 GLY A 58 17.960 11.498 9.639 1.00 17.09 H new ATOM 0 HA3 GLY A 58 17.579 11.045 11.288 1.00 17.09 H new ATOM 840 N SER A 59 18.578 14.126 10.801 1.00 16.84 N ATOM 841 CA SER A 59 18.244 15.528 11.035 1.00 17.03 C ATOM 842 C SER A 59 19.349 16.442 10.516 1.00 17.57 C ATOM 843 O SER A 59 20.287 16.736 11.288 1.00 17.78 O ATOM 844 CB SER A 59 18.016 15.780 12.527 1.00 16.69 C ATOM 845 OG SER A 59 17.697 17.139 12.772 1.00 16.71 O ATOM 846 OXT SER A 59 19.269 16.855 9.340 1.00 17.91 O ATOM 0 H SER A 59 19.542 13.966 10.509 1.00 16.84 H new ATOM 0 HA SER A 59 17.325 15.752 10.493 1.00 17.03 H new ATOM 0 HB2 SER A 59 17.208 15.143 12.887 1.00 16.69 H new ATOM 0 HB3 SER A 59 18.911 15.507 13.086 1.00 16.69 H new ATOM 0 HG SER A 59 17.555 17.274 13.732 1.00 16.71 H new TER 852 SER A 59