USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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 Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS :FLIP no HE2:sc= -0.13 F(o=-0.7,f=-0.13) USER MOD Single : A 9 THR OG1 : rot -63:sc= 0.51 USER MOD Single : A 11 SER OG : rot -59:sc= 1.2 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 172:sc= 1.12 USER MOD Single : A 24 GLN : amide:sc= 0.88 K(o=0.88,f=-0.21) USER MOD Single : A 26 THR OG1 : rot -28:sc= 1.33 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.91 K(o=-0.91,f=-4.2!) USER MOD Single : A 43 THR OG1 : rot 91:sc= -0.488 USER MOD Single : A 46 SER OG : rot 170:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.915 F(o=-3,f=-0.92) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -3.822 -12.768 -0.426 1.00 0.00 N ATOM 9 CA SER A 2 -2.435 -12.374 -0.158 1.00 0.00 C ATOM 10 C SER A 2 -2.331 -10.855 -0.005 1.00 0.00 C ATOM 11 O SER A 2 -1.469 -10.335 0.703 1.00 0.00 O ATOM 12 CB SER A 2 -1.558 -12.835 -1.327 1.00 0.00 C ATOM 13 OG SER A 2 -0.185 -12.845 -0.966 1.00 0.00 O ATOM 0 HA SER A 2 -2.100 -12.838 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.861 -13.834 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.708 -12.173 -2.180 1.00 0.00 H new ATOM 0 HG SER A 2 0.352 -13.144 -1.729 1.00 0.00 H new ATOM 19 N GLU A 3 -3.217 -10.155 -0.704 1.00 0.00 N ATOM 20 CA GLU A 3 -3.307 -8.709 -0.762 1.00 0.00 C ATOM 21 C GLU A 3 -3.619 -8.170 0.644 1.00 0.00 C ATOM 22 O GLU A 3 -2.885 -7.339 1.167 1.00 0.00 O ATOM 23 CB GLU A 3 -4.343 -8.298 -1.830 1.00 0.00 C ATOM 24 CG GLU A 3 -4.233 -9.035 -3.167 1.00 0.00 C ATOM 25 CD GLU A 3 -5.023 -10.347 -3.133 1.00 0.00 C ATOM 26 OE1 GLU A 3 -6.272 -10.311 -3.119 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.381 -11.423 -3.047 1.00 0.00 O ATOM 0 H GLU A 3 -3.929 -10.610 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.360 -8.265 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.342 -8.461 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.245 -7.228 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.609 -8.400 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.186 -9.242 -3.388 1.00 0.00 H new ATOM 34 N GLU A 4 -4.639 -8.716 1.306 1.00 0.00 N ATOM 35 CA GLU A 4 -5.042 -8.362 2.675 1.00 0.00 C ATOM 36 C GLU A 4 -3.883 -8.591 3.645 1.00 0.00 C ATOM 37 O GLU A 4 -3.584 -7.778 4.515 1.00 0.00 O ATOM 38 CB GLU A 4 -6.221 -9.250 3.105 1.00 0.00 C ATOM 39 CG GLU A 4 -7.429 -9.165 2.168 1.00 0.00 C ATOM 40 CD GLU A 4 -8.249 -10.448 2.233 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.890 -10.746 3.263 1.00 0.00 O ATOM 42 OE2 GLU A 4 -8.200 -11.205 1.243 1.00 0.00 O ATOM 0 H GLU A 4 -5.229 -9.440 0.895 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.330 -7.311 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.885 -10.285 3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.531 -8.965 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.052 -8.314 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.092 -8.994 1.146 1.00 0.00 H new ATOM 49 N HIS A 5 -3.186 -9.710 3.467 1.00 0.00 N ATOM 50 CA HIS A 5 -2.070 -10.093 4.318 1.00 0.00 C ATOM 51 C HIS A 5 -0.887 -9.139 4.096 1.00 0.00 C ATOM 52 O HIS A 5 -0.058 -8.948 4.986 1.00 0.00 O ATOM 53 CB HIS A 5 -1.747 -11.562 4.016 1.00 0.00 C ATOM 54 CG HIS A 5 -0.577 -12.178 4.756 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.107 -11.688 5.840 1.00 0.00 N flip ATOM 56 CD2 HIS A 5 0.022 -13.367 4.414 1.00 0.00 C flip ATOM 57 CE1 HIS A 5 1.155 -12.565 6.120 1.00 0.00 C flip ATOM 58 NE2 HIS A 5 1.057 -13.566 5.242 1.00 0.00 N flip ATOM 0 H HIS A 5 -3.383 -10.379 2.723 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.314 -10.009 5.377 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.635 -12.155 4.234 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.557 -11.654 2.947 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -0.112 -10.833 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.288 -14.026 3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.899 -12.456 6.895 1.00 0.00 H new ATOM 66 N PHE A 6 -0.784 -8.482 2.941 1.00 0.00 N ATOM 67 CA PHE A 6 0.251 -7.487 2.767 1.00 0.00 C ATOM 68 C PHE A 6 -0.024 -6.261 3.637 1.00 0.00 C ATOM 69 O PHE A 6 0.890 -5.744 4.280 1.00 0.00 O ATOM 70 CB PHE A 6 0.390 -7.100 1.299 1.00 0.00 C ATOM 71 CG PHE A 6 1.549 -6.173 0.987 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.711 -6.150 1.781 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.443 -5.291 -0.098 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.748 -5.246 1.503 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.480 -4.384 -0.371 1.00 0.00 C ATOM 76 CZ PHE A 6 3.628 -4.343 0.438 1.00 0.00 C ATOM 0 H PHE A 6 -1.393 -8.622 2.135 1.00 0.00 H new ATOM 0 HA PHE A 6 1.198 -7.920 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.503 -8.009 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.535 -6.622 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.805 -6.834 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.563 -5.309 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.640 -5.246 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.394 -3.711 -1.211 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.409 -3.624 0.241 1.00 0.00 H new ATOM 86 N VAL A 7 -1.286 -5.830 3.688 1.00 0.00 N ATOM 87 CA VAL A 7 -1.715 -4.758 4.580 1.00 0.00 C ATOM 88 C VAL A 7 -1.335 -5.125 6.010 1.00 0.00 C ATOM 89 O VAL A 7 -0.718 -4.323 6.714 1.00 0.00 O ATOM 90 CB VAL A 7 -3.224 -4.481 4.439 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.631 -3.303 5.325 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.591 -4.196 2.976 1.00 0.00 C ATOM 0 H VAL A 7 -2.035 -6.215 3.113 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.208 -3.833 4.307 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.767 -5.369 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.700 -3.118 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.408 -3.536 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.076 -2.414 5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.661 -4.003 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.039 -3.323 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.333 -5.059 2.362 1.00 0.00 H new ATOM 102 N GLU A 8 -1.650 -6.359 6.403 1.00 0.00 N ATOM 103 CA GLU A 8 -1.370 -6.861 7.734 1.00 0.00 C ATOM 104 C GLU A 8 0.129 -6.765 7.991 1.00 0.00 C ATOM 105 O GLU A 8 0.527 -6.093 8.935 1.00 0.00 O ATOM 106 CB GLU A 8 -1.892 -8.296 7.889 1.00 0.00 C ATOM 107 CG GLU A 8 -1.675 -8.865 9.301 1.00 0.00 C ATOM 108 CD GLU A 8 -2.668 -8.353 10.356 1.00 0.00 C ATOM 109 OE1 GLU A 8 -3.477 -7.439 10.077 1.00 0.00 O ATOM 110 OE2 GLU A 8 -2.637 -8.878 11.494 1.00 0.00 O ATOM 0 H GLU A 8 -2.110 -7.038 5.797 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.888 -6.257 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.956 -8.317 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.393 -8.939 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.742 -9.952 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.663 -8.622 9.625 1.00 0.00 H new ATOM 117 N THR A 9 0.981 -7.368 7.161 1.00 0.00 N ATOM 118 CA THR A 9 2.396 -7.485 7.461 1.00 0.00 C ATOM 119 C THR A 9 3.058 -6.123 7.640 1.00 0.00 C ATOM 120 O THR A 9 3.916 -5.958 8.517 1.00 0.00 O ATOM 121 CB THR A 9 3.121 -8.247 6.349 1.00 0.00 C ATOM 122 OG1 THR A 9 2.539 -8.191 5.063 1.00 0.00 O ATOM 123 CG2 THR A 9 3.319 -9.705 6.716 1.00 0.00 C ATOM 0 H THR A 9 0.706 -7.784 6.271 1.00 0.00 H new ATOM 0 HA THR A 9 2.473 -8.033 8.400 1.00 0.00 H new ATOM 0 HB THR A 9 4.069 -7.715 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.654 -8.612 5.086 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.837 -10.217 5.905 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.914 -9.773 7.627 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.349 -10.174 6.880 1.00 0.00 H new ATOM 131 N VAL A 10 2.664 -5.164 6.805 1.00 0.00 N ATOM 132 CA VAL A 10 3.170 -3.815 6.885 1.00 0.00 C ATOM 133 C VAL A 10 2.628 -3.155 8.150 1.00 0.00 C ATOM 134 O VAL A 10 3.406 -2.478 8.816 1.00 0.00 O ATOM 135 CB VAL A 10 2.849 -3.061 5.587 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.160 -1.582 5.709 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.664 -3.606 4.420 1.00 0.00 C ATOM 0 H VAL A 10 1.985 -5.310 6.058 1.00 0.00 H new ATOM 0 HA VAL A 10 4.257 -3.802 6.971 1.00 0.00 H new ATOM 0 HB VAL A 10 1.783 -3.203 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.920 -1.081 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.565 -1.150 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.219 -1.450 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.416 -3.053 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.727 -3.494 4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.433 -4.661 4.276 1.00 0.00 H new ATOM 147 N SER A 11 1.368 -3.375 8.544 1.00 0.00 N ATOM 148 CA SER A 11 0.857 -2.864 9.812 1.00 0.00 C ATOM 149 C SER A 11 1.684 -3.375 10.988 1.00 0.00 C ATOM 150 O SER A 11 1.921 -2.634 11.947 1.00 0.00 O ATOM 151 CB SER A 11 -0.641 -3.161 9.964 1.00 0.00 C ATOM 152 OG SER A 11 -0.962 -4.480 10.342 1.00 0.00 O ATOM 0 H SER A 11 0.687 -3.904 8.000 1.00 0.00 H new ATOM 0 HA SER A 11 0.961 -1.779 9.811 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.056 -2.478 10.705 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.135 -2.942 9.017 1.00 0.00 H new ATOM 0 HG SER A 11 -0.606 -5.106 9.678 1.00 0.00 H new ATOM 158 N LEU A 12 2.171 -4.619 10.906 1.00 0.00 N ATOM 159 CA LEU A 12 2.931 -5.231 11.985 1.00 0.00 C ATOM 160 C LEU A 12 4.372 -4.710 12.050 1.00 0.00 C ATOM 161 O LEU A 12 5.062 -4.886 13.059 1.00 0.00 O ATOM 162 CB LEU A 12 3.008 -6.756 11.838 1.00 0.00 C ATOM 163 CG LEU A 12 1.664 -7.500 11.751 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.899 -8.990 11.491 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.808 -7.352 13.007 1.00 0.00 C ATOM 0 H LEU A 12 2.047 -5.221 10.092 1.00 0.00 H new ATOM 0 HA LEU A 12 2.396 -4.963 12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.585 -6.985 10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.565 -7.154 12.686 1.00 0.00 H new ATOM 0 HG LEU A 12 1.120 -7.042 10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.940 -9.505 11.432 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.437 -9.115 10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.488 -9.413 12.305 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.125 -7.901 12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.349 -7.752 13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.588 -6.298 13.176 1.00 0.00 H new ATOM 177 N ALA A 13 4.877 -4.136 10.957 1.00 0.00 N ATOM 178 CA ALA A 13 6.110 -3.356 10.976 1.00 0.00 C ATOM 179 C ALA A 13 5.841 -1.890 11.333 1.00 0.00 C ATOM 180 O ALA A 13 6.674 -1.210 11.926 1.00 0.00 O ATOM 181 CB ALA A 13 6.803 -3.483 9.617 1.00 0.00 C ATOM 0 H ALA A 13 4.442 -4.200 10.037 1.00 0.00 H new ATOM 0 HA ALA A 13 6.769 -3.749 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.726 -2.903 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.035 -4.530 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.143 -3.107 8.835 1.00 0.00 H new ATOM 187 N GLY A 14 4.676 -1.383 10.951 1.00 0.00 N ATOM 188 CA GLY A 14 4.436 0.038 10.767 1.00 0.00 C ATOM 189 C GLY A 14 5.283 0.628 9.632 1.00 0.00 C ATOM 190 O GLY A 14 5.450 1.849 9.584 1.00 0.00 O ATOM 0 H GLY A 14 3.858 -1.961 10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.380 0.201 10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.658 0.565 11.695 1.00 0.00 H new ATOM 194 N SER A 15 5.836 -0.183 8.721 1.00 0.00 N ATOM 195 CA SER A 15 6.774 0.279 7.704 1.00 0.00 C ATOM 196 C SER A 15 6.969 -0.791 6.624 1.00 0.00 C ATOM 197 O SER A 15 6.486 -1.917 6.763 1.00 0.00 O ATOM 198 CB SER A 15 8.073 0.716 8.424 1.00 0.00 C ATOM 199 OG SER A 15 9.218 -0.074 8.142 1.00 0.00 O ATOM 0 H SER A 15 5.640 -1.183 8.673 1.00 0.00 H new ATOM 0 HA SER A 15 6.392 1.145 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.289 1.749 8.153 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.896 0.699 9.499 1.00 0.00 H new ATOM 0 HG SER A 15 9.987 0.276 8.638 1.00 0.00 H new ATOM 205 N TYR A 16 7.652 -0.448 5.528 1.00 0.00 N ATOM 206 CA TYR A 16 8.070 -1.417 4.516 1.00 0.00 C ATOM 207 C TYR A 16 9.298 -0.934 3.752 1.00 0.00 C ATOM 208 O TYR A 16 9.215 0.108 3.107 1.00 0.00 O ATOM 209 CB TYR A 16 6.941 -1.654 3.508 1.00 0.00 C ATOM 210 CG TYR A 16 7.228 -2.835 2.613 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.042 -4.124 3.132 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.738 -2.668 1.310 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.354 -5.246 2.362 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.042 -3.796 0.520 1.00 0.00 C ATOM 215 CZ TYR A 16 7.876 -5.092 1.060 1.00 0.00 C ATOM 216 OH TYR A 16 8.281 -6.183 0.363 1.00 0.00 O ATOM 0 H TYR A 16 7.930 0.511 5.319 1.00 0.00 H new ATOM 0 HA TYR A 16 8.314 -2.342 5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.006 -1.822 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.804 -0.761 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.655 -4.250 4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.896 -1.675 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.195 -6.236 2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.399 -3.671 -0.491 1.00 0.00 H new ATOM 0 HH TYR A 16 7.750 -6.961 0.635 1.00 0.00 H new ATOM 226 N ARG A 17 10.386 -1.714 3.721 1.00 0.00 N ATOM 227 CA ARG A 17 11.675 -1.391 3.097 1.00 0.00 C ATOM 228 C ARG A 17 12.233 -0.080 3.635 1.00 0.00 C ATOM 229 O ARG A 17 13.018 -0.078 4.579 1.00 0.00 O ATOM 230 CB ARG A 17 11.567 -1.368 1.559 1.00 0.00 C ATOM 231 CG ARG A 17 11.105 -2.684 0.931 1.00 0.00 C ATOM 232 CD ARG A 17 12.217 -3.372 0.144 1.00 0.00 C ATOM 233 NE ARG A 17 13.265 -3.900 1.027 1.00 0.00 N ATOM 234 CZ ARG A 17 13.256 -5.077 1.656 1.00 0.00 C ATOM 235 NH1 ARG A 17 12.192 -5.877 1.610 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.335 -5.449 2.324 1.00 0.00 N ATOM 0 H ARG A 17 10.391 -2.637 4.154 1.00 0.00 H new ATOM 0 HA ARG A 17 12.377 -2.182 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.873 -0.579 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.540 -1.105 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.750 -3.353 1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.260 -2.492 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.795 -4.186 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.657 -2.664 -0.559 1.00 0.00 H new ATOM 0 HE ARG A 17 14.082 -3.307 1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.363 -5.594 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.206 -6.773 2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.153 -4.840 2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.349 -6.345 2.812 1.00 0.00 H new ATOM 250 N ASP A 18 11.803 1.025 3.047 1.00 0.00 N ATOM 251 CA ASP A 18 12.250 2.392 3.264 1.00 0.00 C ATOM 252 C ASP A 18 11.090 3.293 3.704 1.00 0.00 C ATOM 253 O ASP A 18 11.314 4.423 4.122 1.00 0.00 O ATOM 254 CB ASP A 18 12.821 2.893 1.930 1.00 0.00 C ATOM 255 CG ASP A 18 13.984 3.847 2.122 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.084 3.345 2.437 1.00 0.00 O ATOM 257 OD2 ASP A 18 13.881 5.046 1.790 1.00 0.00 O ATOM 0 H ASP A 18 11.066 0.984 2.343 1.00 0.00 H new ATOM 0 HA ASP A 18 12.999 2.420 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.148 2.041 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.034 3.393 1.366 1.00 0.00 H new ATOM 262 N TRP A 19 9.857 2.787 3.600 1.00 0.00 N ATOM 263 CA TRP A 19 8.580 3.473 3.713 1.00 0.00 C ATOM 264 C TRP A 19 7.991 3.288 5.105 1.00 0.00 C ATOM 265 O TRP A 19 8.342 2.359 5.836 1.00 0.00 O ATOM 266 CB TRP A 19 7.599 2.885 2.679 1.00 0.00 C ATOM 267 CG TRP A 19 7.977 2.988 1.235 1.00 0.00 C ATOM 268 CD1 TRP A 19 9.061 2.445 0.639 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.252 3.675 0.177 1.00 0.00 C ATOM 270 NE1 TRP A 19 9.122 2.849 -0.677 1.00 0.00 N ATOM 271 CE2 TRP A 19 8.009 3.579 -1.025 1.00 0.00 C ATOM 272 CE3 TRP A 19 6.021 4.358 0.109 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.561 4.130 -2.231 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.561 4.919 -1.090 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.325 4.797 -2.266 1.00 0.00 C ATOM 0 H TRP A 19 9.723 1.792 3.417 1.00 0.00 H new ATOM 0 HA TRP A 19 8.738 4.536 3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.453 1.831 2.915 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.636 3.377 2.811 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.773 1.792 1.122 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.892 2.635 -1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.419 4.451 1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 8.159 4.043 -3.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.619 5.446 -1.112 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.962 5.215 -3.193 1.00 0.00 H new ATOM 286 N SER A 20 6.999 4.109 5.417 1.00 0.00 N ATOM 287 CA SER A 20 6.272 4.168 6.666 1.00 0.00 C ATOM 288 C SER A 20 4.833 3.777 6.377 1.00 0.00 C ATOM 289 O SER A 20 4.289 4.161 5.350 1.00 0.00 O ATOM 290 CB SER A 20 6.299 5.614 7.158 1.00 0.00 C ATOM 291 OG SER A 20 7.392 5.851 8.026 1.00 0.00 O ATOM 0 H SER A 20 6.660 4.802 4.749 1.00 0.00 H new ATOM 0 HA SER A 20 6.708 3.506 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.360 6.288 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.367 5.840 7.676 1.00 0.00 H new ATOM 0 HG SER A 20 7.379 6.786 8.320 1.00 0.00 H new ATOM 297 N TYR A 21 4.203 3.019 7.263 1.00 0.00 N ATOM 298 CA TYR A 21 2.765 2.776 7.234 1.00 0.00 C ATOM 299 C TYR A 21 1.969 4.059 7.555 1.00 0.00 C ATOM 300 O TYR A 21 2.532 5.085 7.950 1.00 0.00 O ATOM 301 CB TYR A 21 2.489 1.619 8.205 1.00 0.00 C ATOM 302 CG TYR A 21 1.076 1.076 8.229 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.492 0.588 7.042 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.346 1.045 9.435 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.829 0.114 7.052 1.00 0.00 C ATOM 306 CE2 TYR A 21 -0.979 0.572 9.448 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.577 0.132 8.248 1.00 0.00 C ATOM 308 OH TYR A 21 -2.881 -0.242 8.226 1.00 0.00 O ATOM 0 H TYR A 21 4.680 2.549 8.032 1.00 0.00 H new ATOM 0 HA TYR A 21 2.428 2.493 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.165 0.800 7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.743 1.951 9.212 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.062 0.579 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.805 1.385 10.351 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.273 -0.265 6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.536 0.546 10.373 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.256 -0.176 9.129 1.00 0.00 H new ATOM 318 N SER A 22 0.656 3.989 7.352 1.00 0.00 N ATOM 319 CA SER A 22 -0.369 4.965 7.691 1.00 0.00 C ATOM 320 C SER A 22 -1.567 4.138 8.188 1.00 0.00 C ATOM 321 O SER A 22 -1.503 3.551 9.263 1.00 0.00 O ATOM 322 CB SER A 22 -0.657 5.909 6.516 1.00 0.00 C ATOM 323 OG SER A 22 -1.731 6.771 6.840 1.00 0.00 O ATOM 0 H SER A 22 0.247 3.169 6.904 1.00 0.00 H new ATOM 0 HA SER A 22 -0.064 5.655 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.232 6.494 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.900 5.330 5.625 1.00 0.00 H new ATOM 0 HG SER A 22 -1.822 7.455 6.145 1.00 0.00 H new ATOM 329 N GLY A 23 -2.676 4.094 7.446 1.00 0.00 N ATOM 330 CA GLY A 23 -3.909 3.385 7.791 1.00 0.00 C ATOM 331 C GLY A 23 -5.112 4.319 7.899 1.00 0.00 C ATOM 332 O GLY A 23 -6.165 3.937 8.403 1.00 0.00 O ATOM 0 H GLY A 23 -2.741 4.573 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.110 2.625 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.772 2.864 8.739 1.00 0.00 H new ATOM 336 N GLN A 24 -4.973 5.558 7.432 1.00 0.00 N ATOM 337 CA GLN A 24 -6.043 6.536 7.422 1.00 0.00 C ATOM 338 C GLN A 24 -6.934 6.281 6.210 1.00 0.00 C ATOM 339 O GLN A 24 -6.473 6.434 5.078 1.00 0.00 O ATOM 340 CB GLN A 24 -5.408 7.932 7.388 1.00 0.00 C ATOM 341 CG GLN A 24 -6.462 9.040 7.312 1.00 0.00 C ATOM 342 CD GLN A 24 -7.461 8.940 8.470 1.00 0.00 C ATOM 343 OE1 GLN A 24 -7.094 9.031 9.639 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.727 8.681 8.199 1.00 0.00 N ATOM 0 H GLN A 24 -4.097 5.910 7.045 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.668 6.461 8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.796 8.074 8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.741 8.006 6.529 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.972 10.013 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.994 8.974 6.363 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.036 8.605 7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.396 8.557 8.959 1.00 0.00 H new ATOM 353 N ARG A 25 -8.192 5.864 6.410 1.00 0.00 N ATOM 354 CA ARG A 25 -9.132 5.824 5.288 1.00 0.00 C ATOM 355 C ARG A 25 -9.361 7.224 4.738 1.00 0.00 C ATOM 356 O ARG A 25 -9.440 8.182 5.506 1.00 0.00 O ATOM 357 CB ARG A 25 -10.415 5.047 5.531 1.00 0.00 C ATOM 358 CG ARG A 25 -11.269 5.558 6.670 1.00 0.00 C ATOM 359 CD ARG A 25 -10.835 4.967 8.013 1.00 0.00 C ATOM 360 NE ARG A 25 -11.958 4.335 8.719 1.00 0.00 N ATOM 361 CZ ARG A 25 -12.027 4.090 10.031 1.00 0.00 C ATOM 362 NH1 ARG A 25 -11.145 4.640 10.860 1.00 0.00 N ATOM 363 NH2 ARG A 25 -12.992 3.305 10.503 1.00 0.00 N ATOM 0 H ARG A 25 -8.571 5.560 7.307 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.649 5.227 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.009 5.062 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.159 4.006 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.205 6.645 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.313 5.307 6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.048 4.231 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.410 5.754 8.636 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.761 4.057 8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.414 5.250 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.200 4.452 11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.673 2.894 9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.050 3.114 11.503 1.00 0.00 H new ATOM 377 N THR A 26 -9.474 7.325 3.421 1.00 0.00 N ATOM 378 CA THR A 26 -9.777 8.548 2.705 1.00 0.00 C ATOM 379 C THR A 26 -10.784 8.203 1.605 1.00 0.00 C ATOM 380 O THR A 26 -11.083 7.027 1.351 1.00 0.00 O ATOM 381 CB THR A 26 -8.487 9.194 2.141 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.985 8.507 1.013 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.350 9.324 3.155 1.00 0.00 C ATOM 0 H THR A 26 -9.352 6.524 2.802 1.00 0.00 H new ATOM 0 HA THR A 26 -10.214 9.289 3.374 1.00 0.00 H new ATOM 0 HB THR A 26 -8.813 10.196 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.237 7.561 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.487 9.786 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.676 9.944 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.075 8.335 3.522 1.00 0.00 H new ATOM 391 N GLU A 27 -11.256 9.222 0.893 1.00 0.00 N ATOM 392 CA GLU A 27 -12.017 9.105 -0.343 1.00 0.00 C ATOM 393 C GLU A 27 -11.301 8.186 -1.345 1.00 0.00 C ATOM 394 O GLU A 27 -11.928 7.379 -2.032 1.00 0.00 O ATOM 395 CB GLU A 27 -12.169 10.517 -0.946 1.00 0.00 C ATOM 396 CG GLU A 27 -13.623 10.851 -1.272 1.00 0.00 C ATOM 397 CD GLU A 27 -14.455 11.180 -0.025 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.125 12.190 0.650 1.00 0.00 O ATOM 399 OE2 GLU A 27 -15.427 10.447 0.268 1.00 0.00 O ATOM 0 H GLU A 27 -11.112 10.192 1.175 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.993 8.669 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.777 11.254 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.569 10.589 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.651 11.700 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.076 10.007 -1.793 1.00 0.00 H new ATOM 406 N LEU A 28 -9.975 8.303 -1.410 1.00 0.00 N ATOM 407 CA LEU A 28 -9.096 7.703 -2.414 1.00 0.00 C ATOM 408 C LEU A 28 -8.633 6.301 -2.028 1.00 0.00 C ATOM 409 O LEU A 28 -7.703 5.770 -2.633 1.00 0.00 O ATOM 410 CB LEU A 28 -7.908 8.651 -2.684 1.00 0.00 C ATOM 411 CG LEU A 28 -8.300 10.109 -3.016 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.044 10.952 -3.267 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.237 10.205 -4.227 1.00 0.00 C ATOM 0 H LEU A 28 -9.455 8.851 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.665 7.576 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.259 8.655 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.323 8.250 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.840 10.496 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.334 11.977 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.417 10.946 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.486 10.534 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.481 11.250 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.744 9.783 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.153 9.650 -4.023 1.00 0.00 H new ATOM 425 N GLY A 29 -9.281 5.698 -1.034 1.00 0.00 N ATOM 426 CA GLY A 29 -8.851 4.446 -0.450 1.00 0.00 C ATOM 427 C GLY A 29 -8.208 4.733 0.899 1.00 0.00 C ATOM 428 O GLY A 29 -8.124 5.891 1.316 1.00 0.00 O ATOM 0 H GLY A 29 -10.129 6.076 -0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.701 3.774 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.141 3.946 -1.109 1.00 0.00 H new ATOM 432 N VAL A 30 -7.777 3.704 1.616 1.00 0.00 N ATOM 433 CA VAL A 30 -7.002 3.920 2.831 1.00 0.00 C ATOM 434 C VAL A 30 -5.541 4.121 2.452 1.00 0.00 C ATOM 435 O VAL A 30 -5.028 3.469 1.542 1.00 0.00 O ATOM 436 CB VAL A 30 -7.301 2.815 3.862 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.130 1.416 3.300 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.458 2.898 5.130 1.00 0.00 C ATOM 0 H VAL A 30 -7.947 2.726 1.383 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.293 4.835 3.347 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.345 2.998 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.355 0.683 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.810 1.276 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.102 1.283 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.731 2.085 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.402 2.816 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.637 3.853 5.624 1.00 0.00 H new ATOM 448 N GLU A 31 -4.888 5.070 3.121 1.00 0.00 N ATOM 449 CA GLU A 31 -3.464 5.302 2.985 1.00 0.00 C ATOM 450 C GLU A 31 -2.728 4.023 3.385 1.00 0.00 C ATOM 451 O GLU A 31 -3.050 3.358 4.372 1.00 0.00 O ATOM 452 CB GLU A 31 -3.001 6.455 3.881 1.00 0.00 C ATOM 453 CG GLU A 31 -3.315 7.860 3.351 1.00 0.00 C ATOM 454 CD GLU A 31 -2.502 8.948 4.073 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.989 8.706 5.192 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.381 10.067 3.528 1.00 0.00 O ATOM 0 H GLU A 31 -5.344 5.703 3.778 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.245 5.570 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.465 6.342 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.924 6.371 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.103 7.899 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.379 8.063 3.473 1.00 0.00 H new ATOM 463 N PHE A 32 -1.707 3.694 2.604 1.00 0.00 N ATOM 464 CA PHE A 32 -0.860 2.552 2.809 1.00 0.00 C ATOM 465 C PHE A 32 0.482 3.012 3.313 1.00 0.00 C ATOM 466 O PHE A 32 0.638 3.532 4.416 1.00 0.00 O ATOM 467 CB PHE A 32 -0.983 1.562 1.623 1.00 0.00 C ATOM 468 CG PHE A 32 -0.540 0.119 1.869 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.485 -0.444 3.165 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.214 -0.700 0.771 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.010 -1.748 3.364 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.236 -2.019 0.969 1.00 0.00 C ATOM 473 CZ PHE A 32 0.369 -2.538 2.269 1.00 0.00 C ATOM 0 H PHE A 32 -1.446 4.242 1.784 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.175 1.897 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.025 1.546 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.400 1.957 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.813 0.138 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.310 -0.313 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.064 -2.146 4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.481 -2.636 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.759 -3.534 2.422 1.00 0.00 H new ATOM 483 N LEU A 33 1.428 2.804 2.460 1.00 0.00 N ATOM 484 CA LEU A 33 2.827 3.149 2.650 1.00 0.00 C ATOM 485 C LEU A 33 3.027 4.582 2.175 1.00 0.00 C ATOM 486 O LEU A 33 2.765 4.895 1.016 1.00 0.00 O ATOM 487 CB LEU A 33 3.798 2.179 1.952 1.00 0.00 C ATOM 488 CG LEU A 33 4.004 0.825 2.659 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.449 1.018 4.114 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.765 -0.034 2.476 1.00 0.00 C ATOM 0 H LEU A 33 1.253 2.365 1.556 1.00 0.00 H new ATOM 0 HA LEU A 33 3.064 3.062 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.433 1.990 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.767 2.669 1.854 1.00 0.00 H new ATOM 0 HG LEU A 33 4.826 0.278 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.586 0.044 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.390 1.567 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.688 1.579 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.909 -0.992 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.903 0.474 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.592 -0.202 1.413 1.00 0.00 H new ATOM 502 N LYS A 34 3.531 5.444 3.047 1.00 0.00 N ATOM 503 CA LYS A 34 4.051 6.761 2.733 1.00 0.00 C ATOM 504 C LYS A 34 5.566 6.657 2.671 1.00 0.00 C ATOM 505 O LYS A 34 6.150 5.823 3.364 1.00 0.00 O ATOM 506 CB LYS A 34 3.651 7.729 3.855 1.00 0.00 C ATOM 507 CG LYS A 34 2.262 8.351 3.637 1.00 0.00 C ATOM 508 CD LYS A 34 2.222 9.831 4.042 1.00 0.00 C ATOM 509 CE LYS A 34 3.115 10.692 3.115 1.00 0.00 C ATOM 510 NZ LYS A 34 3.679 11.896 3.761 1.00 0.00 N ATOM 0 H LYS A 34 3.590 5.229 4.042 1.00 0.00 H new ATOM 0 HA LYS A 34 3.656 7.123 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.661 7.199 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.393 8.524 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.983 8.255 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.522 7.797 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.195 10.194 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.557 9.937 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.934 10.076 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.529 10.999 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.263 12.416 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.905 12.507 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.266 11.612 4.571 1.00 0.00 H new ATOM 524 N ARG A 35 6.216 7.496 1.872 1.00 0.00 N ATOM 525 CA ARG A 35 7.659 7.692 1.922 1.00 0.00 C ATOM 526 C ARG A 35 7.944 9.028 1.275 1.00 0.00 C ATOM 527 O ARG A 35 7.900 9.127 0.044 1.00 0.00 O ATOM 528 CB ARG A 35 8.392 6.564 1.190 1.00 0.00 C ATOM 529 CG ARG A 35 9.913 6.755 1.181 1.00 0.00 C ATOM 530 CD ARG A 35 10.538 5.680 0.294 1.00 0.00 C ATOM 531 NE ARG A 35 11.938 5.956 -0.059 1.00 0.00 N ATOM 532 CZ ARG A 35 12.360 6.792 -1.009 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.548 7.741 -1.477 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.581 6.643 -1.505 1.00 0.00 N ATOM 0 H ARG A 35 5.751 8.065 1.165 1.00 0.00 H new ATOM 0 HA ARG A 35 8.013 7.678 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.152 5.612 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.031 6.508 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.167 7.747 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.308 6.685 2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.483 4.719 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.952 5.588 -0.620 1.00 0.00 H new ATOM 0 HE ARG A 35 12.654 5.462 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.601 7.829 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.874 8.379 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.184 5.896 -1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.917 7.275 -2.232 1.00 0.00 H new ATOM 548 N GLY A 36 8.230 10.036 2.086 1.00 0.00 N ATOM 549 CA GLY A 36 8.458 11.361 1.572 1.00 0.00 C ATOM 550 C GLY A 36 7.187 11.834 0.877 1.00 0.00 C ATOM 551 O GLY A 36 6.083 11.728 1.420 1.00 0.00 O ATOM 0 H GLY A 36 8.308 9.953 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.723 12.041 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.294 11.357 0.872 1.00 0.00 H new ATOM 555 N ASP A 37 7.365 12.309 -0.351 1.00 0.00 N ATOM 556 CA ASP A 37 6.313 12.806 -1.230 1.00 0.00 C ATOM 557 C ASP A 37 5.427 11.688 -1.810 1.00 0.00 C ATOM 558 O ASP A 37 4.425 12.003 -2.455 1.00 0.00 O ATOM 559 CB ASP A 37 6.966 13.597 -2.381 1.00 0.00 C ATOM 560 CG ASP A 37 7.164 15.091 -2.110 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.494 15.498 -0.975 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.098 15.885 -3.084 1.00 0.00 O ATOM 0 H ASP A 37 8.289 12.360 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 37 5.659 13.442 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.936 13.152 -2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.351 13.484 -3.274 1.00 0.00 H new ATOM 567 N LYS A 38 5.765 10.401 -1.640 1.00 0.00 N ATOM 568 CA LYS A 38 5.026 9.282 -2.231 1.00 0.00 C ATOM 569 C LYS A 38 3.967 8.783 -1.248 1.00 0.00 C ATOM 570 O LYS A 38 4.249 8.692 -0.047 1.00 0.00 O ATOM 571 CB LYS A 38 5.989 8.122 -2.537 1.00 0.00 C ATOM 572 CG LYS A 38 7.221 8.449 -3.400 1.00 0.00 C ATOM 573 CD LYS A 38 6.932 8.709 -4.885 1.00 0.00 C ATOM 574 CE LYS A 38 6.436 7.441 -5.604 1.00 0.00 C ATOM 575 NZ LYS A 38 6.994 7.311 -6.963 1.00 0.00 N ATOM 0 H LYS A 38 6.567 10.108 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 38 4.551 9.626 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.338 7.712 -1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.424 7.335 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.713 9.328 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.927 7.622 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.182 9.495 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.837 9.073 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.708 6.564 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.348 7.461 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.631 6.443 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.714 8.134 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.032 7.264 -6.909 1.00 0.00 H new ATOM 589 N ILE A 39 2.797 8.368 -1.749 1.00 0.00 N ATOM 590 CA ILE A 39 1.745 7.714 -0.960 1.00 0.00 C ATOM 591 C ILE A 39 1.139 6.578 -1.788 1.00 0.00 C ATOM 592 O ILE A 39 0.588 6.806 -2.863 1.00 0.00 O ATOM 593 CB ILE A 39 0.644 8.697 -0.491 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.258 9.949 0.163 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.311 7.962 0.478 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.252 10.853 0.876 1.00 0.00 C ATOM 0 H ILE A 39 2.550 8.479 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 39 2.202 7.319 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 39 0.076 9.040 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.015 9.634 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.769 10.530 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.089 8.648 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.769 7.116 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.251 7.603 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.773 11.709 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.493 11.203 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.242 10.293 1.670 1.00 0.00 H new ATOM 608 N VAL A 40 1.242 5.354 -1.278 1.00 0.00 N ATOM 609 CA VAL A 40 0.478 4.196 -1.726 1.00 0.00 C ATOM 610 C VAL A 40 -0.875 4.237 -1.010 1.00 0.00 C ATOM 611 O VAL A 40 -0.950 4.645 0.149 1.00 0.00 O ATOM 612 CB VAL A 40 1.243 2.882 -1.421 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.617 1.636 -2.063 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.698 2.900 -1.885 1.00 0.00 C ATOM 0 H VAL A 40 1.882 5.135 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 40 0.329 4.225 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 40 1.182 2.826 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.208 0.757 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.401 1.510 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.599 1.755 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.170 1.949 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.734 3.055 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.230 3.709 -1.385 1.00 0.00 H new ATOM 624 N TYR A 41 -1.926 3.745 -1.657 1.00 0.00 N ATOM 625 CA TYR A 41 -3.268 3.521 -1.138 1.00 0.00 C ATOM 626 C TYR A 41 -3.619 2.046 -1.310 1.00 0.00 C ATOM 627 O TYR A 41 -2.964 1.345 -2.085 1.00 0.00 O ATOM 628 CB TYR A 41 -4.260 4.409 -1.907 1.00 0.00 C ATOM 629 CG TYR A 41 -4.114 5.869 -1.548 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.059 6.618 -2.101 1.00 0.00 C ATOM 631 CD2 TYR A 41 -4.975 6.451 -0.599 1.00 0.00 C ATOM 632 CE1 TYR A 41 -2.854 7.942 -1.688 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.760 7.772 -0.166 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.686 8.519 -0.702 1.00 0.00 C ATOM 635 OH TYR A 41 -3.427 9.782 -0.267 1.00 0.00 O ATOM 0 H TYR A 41 -1.854 3.471 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.319 3.778 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.104 4.282 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.278 4.084 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.409 6.174 -2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.803 5.882 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.056 8.524 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.412 8.214 0.573 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.088 10.037 0.410 1.00 0.00 H new ATOM 645 N HIS A 42 -4.657 1.573 -0.623 1.00 0.00 N ATOM 646 CA HIS A 42 -5.263 0.271 -0.867 1.00 0.00 C ATOM 647 C HIS A 42 -6.777 0.346 -0.658 1.00 0.00 C ATOM 648 O HIS A 42 -7.274 1.278 -0.013 1.00 0.00 O ATOM 649 CB HIS A 42 -4.552 -0.800 -0.036 1.00 0.00 C ATOM 650 CG HIS A 42 -4.900 -0.875 1.422 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.017 -1.463 1.967 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.089 -0.494 2.451 1.00 0.00 C ATOM 653 CE1 HIS A 42 -5.873 -1.445 3.303 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.722 -0.839 3.644 1.00 0.00 N ATOM 0 H HIS A 42 -5.106 2.094 0.130 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.129 -0.027 -1.907 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.762 -1.771 -0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.478 -0.636 -0.120 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.810 -1.844 1.451 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.128 -0.011 2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.582 -1.859 4.004 1.00 0.00 H new ATOM 662 N THR A 43 -7.524 -0.601 -1.224 1.00 0.00 N ATOM 663 CA THR A 43 -8.978 -0.622 -1.116 1.00 0.00 C ATOM 664 C THR A 43 -9.397 -1.207 0.240 1.00 0.00 C ATOM 665 O THR A 43 -8.646 -1.947 0.885 1.00 0.00 O ATOM 666 CB THR A 43 -9.583 -1.359 -2.328 1.00 0.00 C ATOM 667 OG1 THR A 43 -9.063 -2.657 -2.462 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.245 -0.617 -3.627 1.00 0.00 C ATOM 0 H THR A 43 -7.138 -1.372 -1.768 1.00 0.00 H new ATOM 0 HA THR A 43 -9.377 0.392 -1.144 1.00 0.00 H new ATOM 0 HB THR A 43 -10.659 -1.400 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.627 -3.288 -1.968 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.679 -1.149 -4.474 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.653 0.393 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.163 -0.567 -3.746 1.00 0.00 H new ATOM 676 N LEU A 44 -10.613 -0.881 0.686 1.00 0.00 N ATOM 677 CA LEU A 44 -11.173 -1.313 1.975 1.00 0.00 C ATOM 678 C LEU A 44 -11.758 -2.729 1.962 1.00 0.00 C ATOM 679 O LEU A 44 -12.254 -3.213 2.976 1.00 0.00 O ATOM 680 CB LEU A 44 -12.280 -0.333 2.390 1.00 0.00 C ATOM 681 CG LEU A 44 -11.802 1.101 2.683 1.00 0.00 C ATOM 682 CD1 LEU A 44 -12.946 1.968 3.215 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.686 1.111 3.722 1.00 0.00 C ATOM 0 H LEU A 44 -11.253 -0.295 0.150 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.343 -1.322 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.028 -0.296 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.776 -0.723 3.279 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.435 1.504 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.578 2.975 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.744 2.012 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.332 1.535 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.370 2.138 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.049 0.670 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.840 0.532 3.352 1.00 0.00 H new ATOM 695 N GLU A 45 -11.742 -3.365 0.807 1.00 0.00 N ATOM 696 CA GLU A 45 -12.392 -4.625 0.489 1.00 0.00 C ATOM 697 C GLU A 45 -11.482 -5.446 -0.410 1.00 0.00 C ATOM 698 O GLU A 45 -10.518 -4.911 -0.972 1.00 0.00 O ATOM 699 CB GLU A 45 -13.724 -4.323 -0.208 1.00 0.00 C ATOM 700 CG GLU A 45 -13.531 -3.591 -1.544 1.00 0.00 C ATOM 701 CD GLU A 45 -14.849 -3.004 -2.020 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.202 -1.913 -1.507 1.00 0.00 O ATOM 703 OE2 GLU A 45 -15.536 -3.636 -2.857 1.00 0.00 O ATOM 0 H GLU A 45 -11.237 -2.987 0.005 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.586 -5.199 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.260 -5.256 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.346 -3.716 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.793 -2.798 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.142 -4.282 -2.292 1.00 0.00 H new ATOM 710 N SER A 46 -11.810 -6.731 -0.538 1.00 0.00 N ATOM 711 CA SER A 46 -11.048 -7.672 -1.334 1.00 0.00 C ATOM 712 C SER A 46 -11.651 -7.817 -2.744 1.00 0.00 C ATOM 713 O SER A 46 -12.878 -7.825 -2.870 1.00 0.00 O ATOM 714 CB SER A 46 -11.029 -9.032 -0.655 1.00 0.00 C ATOM 715 OG SER A 46 -10.594 -8.923 0.684 1.00 0.00 O ATOM 0 H SER A 46 -12.624 -7.146 -0.083 1.00 0.00 H new ATOM 0 HA SER A 46 -10.031 -7.291 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.027 -9.470 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.370 -9.706 -1.202 1.00 0.00 H new ATOM 0 HG SER A 46 -10.742 -9.774 1.146 1.00 0.00 H new ATOM 721 N PRO A 47 -10.833 -8.091 -3.775 1.00 0.00 N ATOM 722 CA PRO A 47 -9.388 -8.101 -3.662 1.00 0.00 C ATOM 723 C PRO A 47 -8.898 -6.699 -3.378 1.00 0.00 C ATOM 724 O PRO A 47 -9.474 -5.719 -3.858 1.00 0.00 O ATOM 725 CB PRO A 47 -8.818 -8.580 -4.988 1.00 0.00 C ATOM 726 CG PRO A 47 -9.987 -8.468 -5.979 1.00 0.00 C ATOM 727 CD PRO A 47 -11.260 -8.290 -5.149 1.00 0.00 C ATOM 0 HA PRO A 47 -9.071 -8.759 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.974 -7.966 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.457 -9.606 -4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.843 -7.622 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.053 -9.361 -6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.838 -7.436 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.903 -9.166 -5.232 1.00 0.00 H new ATOM 735 N VAL A 48 -7.870 -6.638 -2.539 1.00 0.00 N ATOM 736 CA VAL A 48 -7.270 -5.375 -2.207 1.00 0.00 C ATOM 737 C VAL A 48 -6.468 -4.995 -3.438 1.00 0.00 C ATOM 738 O VAL A 48 -5.477 -5.650 -3.775 1.00 0.00 O ATOM 739 CB VAL A 48 -6.490 -5.460 -0.896 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.742 -4.166 -0.595 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.432 -5.748 0.279 1.00 0.00 C ATOM 0 H VAL A 48 -7.446 -7.447 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.989 -4.584 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.772 -6.271 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.201 -4.269 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.036 -3.958 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.454 -3.344 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.855 -5.804 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.168 -4.948 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.943 -6.696 0.112 1.00 0.00 H new ATOM 751 N GLU A 49 -6.968 -4.011 -4.170 1.00 0.00 N ATOM 752 CA GLU A 49 -6.152 -3.296 -5.125 1.00 0.00 C ATOM 753 C GLU A 49 -5.343 -2.290 -4.327 1.00 0.00 C ATOM 754 O GLU A 49 -5.730 -1.869 -3.232 1.00 0.00 O ATOM 755 CB GLU A 49 -7.006 -2.630 -6.218 1.00 0.00 C ATOM 756 CG GLU A 49 -7.602 -3.720 -7.120 1.00 0.00 C ATOM 757 CD GLU A 49 -7.862 -3.265 -8.557 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.797 -2.471 -8.797 1.00 0.00 O ATOM 759 OE2 GLU A 49 -7.123 -3.735 -9.466 1.00 0.00 O ATOM 0 H GLU A 49 -7.936 -3.693 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.490 -3.975 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.802 -2.039 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.396 -1.945 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.924 -4.574 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.539 -4.066 -6.684 1.00 0.00 H new ATOM 766 N PHE A 50 -4.206 -1.923 -4.892 1.00 0.00 N ATOM 767 CA PHE A 50 -3.255 -1.004 -4.318 1.00 0.00 C ATOM 768 C PHE A 50 -2.988 0.024 -5.380 1.00 0.00 C ATOM 769 O PHE A 50 -2.893 -0.341 -6.553 1.00 0.00 O ATOM 770 CB PHE A 50 -1.944 -1.721 -4.056 1.00 0.00 C ATOM 771 CG PHE A 50 -2.025 -2.901 -3.110 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.097 -2.698 -1.725 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.020 -4.209 -3.624 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.203 -3.798 -0.856 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.115 -5.312 -2.764 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.215 -5.108 -1.373 1.00 0.00 C ATOM 0 H PHE A 50 -3.913 -2.276 -5.803 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.636 -0.580 -3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.543 -2.068 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.231 -1.002 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.071 -1.695 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.942 -4.366 -4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.275 -3.638 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.112 -6.314 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.301 -5.953 -0.706 1.00 0.00 H new ATOM 786 N HIS A 51 -2.792 1.276 -5.004 1.00 0.00 N ATOM 787 CA HIS A 51 -2.497 2.318 -5.971 1.00 0.00 C ATOM 788 C HIS A 51 -1.374 3.178 -5.437 1.00 0.00 C ATOM 789 O HIS A 51 -1.136 3.215 -4.238 1.00 0.00 O ATOM 790 CB HIS A 51 -3.727 3.170 -6.257 1.00 0.00 C ATOM 791 CG HIS A 51 -5.075 2.523 -6.035 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.507 1.340 -6.567 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.066 2.993 -5.199 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -6.774 1.087 -6.042 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.063 2.092 -5.199 1.00 0.00 N flip ATOM 0 H HIS A 51 -2.832 1.595 -4.036 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.195 1.855 -6.910 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.673 4.063 -5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.676 3.501 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.045 3.919 -4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.405 0.241 -6.271 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.914 2.161 -4.641 1.00 0.00 H new ATOM 803 N LEU A 52 -0.686 3.858 -6.332 1.00 0.00 N ATOM 804 CA LEU A 52 0.435 4.738 -6.036 1.00 0.00 C ATOM 805 C LEU A 52 0.508 5.734 -7.175 1.00 0.00 C ATOM 806 O LEU A 52 0.654 5.338 -8.332 1.00 0.00 O ATOM 807 CB LEU A 52 1.747 3.935 -5.908 1.00 0.00 C ATOM 808 CG LEU A 52 3.024 4.799 -5.844 1.00 0.00 C ATOM 809 CD1 LEU A 52 3.044 5.765 -4.654 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.247 3.880 -5.766 1.00 0.00 C ATOM 0 H LEU A 52 -0.899 3.813 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 52 0.295 5.248 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.695 3.319 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.826 3.255 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 52 3.042 5.408 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.969 6.342 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.193 6.443 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.985 5.199 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.153 4.484 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.179 3.259 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.280 3.242 -6.649 1.00 0.00 H new ATOM 822 N ASP A 53 0.403 7.019 -6.841 1.00 0.00 N ATOM 823 CA ASP A 53 0.476 8.117 -7.802 1.00 0.00 C ATOM 824 C ASP A 53 -0.620 8.006 -8.876 1.00 0.00 C ATOM 825 O ASP A 53 -0.443 8.406 -10.028 1.00 0.00 O ATOM 826 CB ASP A 53 1.907 8.223 -8.354 1.00 0.00 C ATOM 827 CG ASP A 53 2.333 9.676 -8.531 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.699 10.436 -9.296 1.00 0.00 O ATOM 829 OD2 ASP A 53 3.322 10.060 -7.869 1.00 0.00 O ATOM 0 H ASP A 53 0.263 7.331 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 53 0.265 9.062 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.597 7.721 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.968 7.706 -9.312 1.00 0.00 H new ATOM 834 N GLY A 54 -1.757 7.400 -8.505 1.00 0.00 N ATOM 835 CA GLY A 54 -2.903 7.156 -9.365 1.00 0.00 C ATOM 836 C GLY A 54 -2.732 5.936 -10.252 1.00 0.00 C ATOM 837 O GLY A 54 -3.708 5.508 -10.877 1.00 0.00 O ATOM 0 H GLY A 54 -1.900 7.055 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.792 7.027 -8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.073 8.032 -9.991 1.00 0.00 H new ATOM 841 N GLU A 55 -1.538 5.345 -10.295 1.00 0.00 N ATOM 842 CA GLU A 55 -1.304 4.105 -10.994 1.00 0.00 C ATOM 843 C GLU A 55 -1.627 2.994 -10.009 1.00 0.00 C ATOM 844 O GLU A 55 -1.205 3.012 -8.862 1.00 0.00 O ATOM 845 CB GLU A 55 0.153 3.996 -11.446 1.00 0.00 C ATOM 846 CG GLU A 55 0.282 3.239 -12.775 1.00 0.00 C ATOM 847 CD GLU A 55 1.719 3.296 -13.299 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.646 2.822 -12.612 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.947 3.879 -14.392 1.00 0.00 O ATOM 0 H GLU A 55 -0.708 5.724 -9.839 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.922 4.044 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.576 4.995 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.734 3.485 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.018 2.200 -12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.395 3.671 -13.512 1.00 0.00 H new ATOM 856 N VAL A 56 -2.388 2.017 -10.437 1.00 0.00 N ATOM 857 CA VAL A 56 -2.619 0.785 -9.715 1.00 0.00 C ATOM 858 C VAL A 56 -1.529 -0.215 -10.008 1.00 0.00 C ATOM 859 O VAL A 56 -0.989 -0.316 -11.114 1.00 0.00 O ATOM 860 CB VAL A 56 -3.992 0.214 -10.139 1.00 0.00 C ATOM 861 CG1 VAL A 56 -4.332 -1.076 -9.388 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.113 1.263 -10.037 1.00 0.00 C ATOM 0 H VAL A 56 -2.882 2.057 -11.329 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.613 0.985 -8.644 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.912 -0.050 -11.193 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.305 -1.443 -9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.571 -1.829 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.362 -0.876 -8.317 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.058 0.816 -10.345 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.194 1.610 -9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.882 2.107 -10.687 1.00 0.00 H new ATOM 872 N LEU A 57 -1.205 -0.931 -8.942 1.00 0.00 N ATOM 873 CA LEU A 57 -0.115 -1.891 -8.941 1.00 0.00 C ATOM 874 C LEU A 57 -0.651 -3.300 -8.759 1.00 0.00 C ATOM 875 O LEU A 57 -1.669 -3.489 -8.096 1.00 0.00 O ATOM 876 CB LEU A 57 0.859 -1.553 -7.818 1.00 0.00 C ATOM 877 CG LEU A 57 1.128 -0.053 -7.640 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.332 0.830 -8.876 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.368 0.563 -6.488 1.00 0.00 C ATOM 0 H LEU A 57 -1.694 -0.861 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 57 0.404 -1.840 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.468 -1.953 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.805 -2.059 -8.010 1.00 0.00 H new ATOM 0 HG LEU A 57 2.174 -0.065 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.510 1.859 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.190 0.470 -9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.441 0.790 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.606 1.625 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.703 0.441 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.652 0.068 -5.559 1.00 0.00 H new ATOM 891 N SER A 58 0.076 -4.295 -9.272 1.00 0.00 N ATOM 892 CA SER A 58 -0.157 -5.678 -8.867 1.00 0.00 C ATOM 893 C SER A 58 0.464 -5.832 -7.473 1.00 0.00 C ATOM 894 O SER A 58 1.383 -5.082 -7.157 1.00 0.00 O ATOM 895 CB SER A 58 0.451 -6.664 -9.880 1.00 0.00 C ATOM 896 OG SER A 58 0.637 -6.120 -11.185 1.00 0.00 O ATOM 0 H SER A 58 0.820 -4.170 -9.959 1.00 0.00 H new ATOM 0 HA SER A 58 -1.222 -5.907 -8.837 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.413 -7.009 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.195 -7.539 -9.952 1.00 0.00 H new ATOM 0 HG SER A 58 1.027 -6.802 -11.771 1.00 0.00 H new ATOM 902 N LEU A 59 0.075 -6.815 -6.660 1.00 0.00 N ATOM 903 CA LEU A 59 0.576 -7.000 -5.297 1.00 0.00 C ATOM 904 C LEU A 59 2.085 -7.186 -5.323 1.00 0.00 C ATOM 905 O LEU A 59 2.819 -6.629 -4.510 1.00 0.00 O ATOM 906 CB LEU A 59 -0.134 -8.226 -4.685 1.00 0.00 C ATOM 907 CG LEU A 59 0.548 -8.768 -3.414 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.556 -7.762 -2.266 1.00 0.00 C ATOM 909 CD2 LEU A 59 -0.161 -10.031 -2.947 1.00 0.00 C ATOM 0 H LEU A 59 -0.610 -7.518 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 59 0.365 -6.123 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.163 -7.957 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.176 -9.020 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 59 1.584 -8.975 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.050 -8.202 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.093 -6.864 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.469 -7.500 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.325 -10.410 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.204 -9.803 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.113 -10.786 -3.731 1.00 0.00 H new ATOM 921 N ASP A 60 2.539 -8.014 -6.252 1.00 0.00 N ATOM 922 CA ASP A 60 3.932 -8.412 -6.328 1.00 0.00 C ATOM 923 C ASP A 60 4.768 -7.303 -6.978 1.00 0.00 C ATOM 924 O ASP A 60 5.903 -7.054 -6.564 1.00 0.00 O ATOM 925 CB ASP A 60 3.987 -9.738 -7.110 1.00 0.00 C ATOM 926 CG ASP A 60 4.630 -10.898 -6.331 1.00 0.00 C ATOM 927 OD1 ASP A 60 5.250 -10.678 -5.267 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.442 -12.074 -6.732 1.00 0.00 O ATOM 0 H ASP A 60 1.949 -8.428 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 60 4.359 -8.566 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.974 -10.022 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.545 -9.581 -8.033 1.00 0.00 H new ATOM 933 N LYS A 61 4.169 -6.585 -7.940 1.00 0.00 N ATOM 934 CA LYS A 61 4.731 -5.398 -8.589 1.00 0.00 C ATOM 935 C LYS A 61 4.941 -4.327 -7.542 1.00 0.00 C ATOM 936 O LYS A 61 6.024 -3.763 -7.463 1.00 0.00 O ATOM 937 CB LYS A 61 3.771 -4.845 -9.666 1.00 0.00 C ATOM 938 CG LYS A 61 4.313 -4.945 -11.093 1.00 0.00 C ATOM 939 CD LYS A 61 3.444 -4.124 -12.061 1.00 0.00 C ATOM 940 CE LYS A 61 3.931 -4.262 -13.508 1.00 0.00 C ATOM 941 NZ LYS A 61 3.146 -3.437 -14.454 1.00 0.00 N ATOM 0 H LYS A 61 3.245 -6.827 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 61 5.671 -5.676 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.826 -5.386 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.554 -3.800 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.341 -4.584 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.332 -5.988 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.408 -4.455 -11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.463 -3.074 -11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.980 -3.972 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.873 -5.308 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.516 -3.567 -15.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.148 -3.729 -14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.222 -2.435 -14.186 1.00 0.00 H new ATOM 955 N LEU A 62 3.897 -4.049 -6.761 1.00 0.00 N ATOM 956 CA LEU A 62 3.831 -3.031 -5.735 1.00 0.00 C ATOM 957 C LEU A 62 5.093 -3.080 -4.942 1.00 0.00 C ATOM 958 O LEU A 62 5.791 -2.085 -4.842 1.00 0.00 O ATOM 959 CB LEU A 62 2.657 -3.277 -4.805 1.00 0.00 C ATOM 960 CG LEU A 62 2.493 -2.074 -3.870 1.00 0.00 C ATOM 961 CD1 LEU A 62 1.086 -2.141 -3.333 1.00 0.00 C ATOM 962 CD2 LEU A 62 3.445 -1.821 -2.727 1.00 0.00 C ATOM 0 H LEU A 62 3.022 -4.568 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 62 3.703 -2.057 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.746 -3.430 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.822 -4.184 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 62 2.742 -1.230 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.914 -1.303 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.378 -2.091 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.947 -3.077 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.144 -0.918 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.425 -2.669 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.455 -1.693 -3.116 1.00 0.00 H new ATOM 974 N LYS A 63 5.376 -4.246 -4.354 1.00 0.00 N ATOM 975 CA LYS A 63 6.472 -4.279 -3.426 1.00 0.00 C ATOM 976 C LYS A 63 7.804 -3.937 -4.116 1.00 0.00 C ATOM 977 O LYS A 63 8.614 -3.215 -3.537 1.00 0.00 O ATOM 978 CB LYS A 63 6.526 -5.680 -2.797 1.00 0.00 C ATOM 979 CG LYS A 63 5.231 -6.100 -2.085 1.00 0.00 C ATOM 980 CD LYS A 63 5.141 -7.616 -1.921 1.00 0.00 C ATOM 981 CE LYS A 63 3.956 -7.965 -1.011 1.00 0.00 C ATOM 982 NZ LYS A 63 3.760 -9.424 -0.873 1.00 0.00 N ATOM 0 H LYS A 63 4.883 -5.127 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 63 6.316 -3.527 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.751 -6.408 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.348 -5.714 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.184 -5.625 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.372 -5.744 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.017 -8.091 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.067 -8.001 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.118 -7.528 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.048 -7.516 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.948 -9.608 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.579 -9.840 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.615 -9.852 -0.464 1.00 0.00 H new ATOM 996 N SER A 64 7.970 -4.328 -5.388 1.00 0.00 N ATOM 997 CA SER A 64 9.108 -3.945 -6.217 1.00 0.00 C ATOM 998 C SER A 64 9.205 -2.426 -6.423 1.00 0.00 C ATOM 999 O SER A 64 10.302 -1.924 -6.677 1.00 0.00 O ATOM 1000 CB SER A 64 9.026 -4.629 -7.585 1.00 0.00 C ATOM 1001 OG SER A 64 10.286 -4.556 -8.225 1.00 0.00 O ATOM 0 H SER A 64 7.303 -4.929 -5.872 1.00 0.00 H new ATOM 0 HA SER A 64 10.002 -4.270 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.727 -5.670 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.266 -4.147 -8.199 1.00 0.00 H new ATOM 0 HG SER A 64 10.235 -4.995 -9.100 1.00 0.00 H new ATOM 1007 N LEU A 65 8.089 -1.698 -6.361 1.00 0.00 N ATOM 1008 CA LEU A 65 8.032 -0.239 -6.456 1.00 0.00 C ATOM 1009 C LEU A 65 8.448 0.419 -5.134 1.00 0.00 C ATOM 1010 O LEU A 65 8.834 1.589 -5.130 1.00 0.00 O ATOM 1011 CB LEU A 65 6.605 0.238 -6.795 1.00 0.00 C ATOM 1012 CG LEU A 65 5.882 -0.392 -8.004 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.658 0.461 -8.302 1.00 0.00 C ATOM 1014 CD2 LEU A 65 6.758 -0.494 -9.254 1.00 0.00 C ATOM 0 H LEU A 65 7.169 -2.122 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 65 8.722 0.051 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.983 0.073 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.646 1.315 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 65 5.614 -1.416 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.122 0.043 -9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.002 0.473 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.972 1.479 -8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.185 -0.946 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.084 0.502 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.630 -1.111 -9.038 1.00 0.00 H new ATOM 1026 N LEU A 66 8.348 -0.309 -4.016 1.00 0.00 N ATOM 1027 CA LEU A 66 8.813 0.129 -2.689 1.00 0.00 C ATOM 1028 C LEU A 66 10.266 -0.240 -2.414 1.00 0.00 C ATOM 1029 O LEU A 66 10.825 0.132 -1.380 1.00 0.00 O ATOM 1030 CB LEU A 66 7.983 -0.497 -1.561 1.00 0.00 C ATOM 1031 CG LEU A 66 6.475 -0.378 -1.748 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.719 -1.032 -0.594 1.00 0.00 C ATOM 1033 CD2 LEU A 66 6.001 1.060 -1.820 1.00 0.00 C ATOM 0 H LEU A 66 7.933 -1.241 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 66 8.703 1.213 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.244 -1.552 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.258 -0.024 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 66 6.269 -0.881 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.646 -0.930 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.979 -2.089 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.991 -0.544 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.919 1.080 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.262 1.576 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.480 1.559 -2.662 1.00 0.00 H new ATOM 1045 N SER A 67 10.852 -1.035 -3.300 1.00 0.00 N ATOM 1046 CA SER A 67 12.278 -1.285 -3.356 1.00 0.00 C ATOM 1047 C SER A 67 13.003 0.048 -3.581 1.00 0.00 C ATOM 1048 O SER A 67 14.173 0.127 -3.151 1.00 0.00 O ATOM 1049 CB SER A 67 12.490 -2.333 -4.452 1.00 0.00 C ATOM 1050 OG SER A 67 13.698 -3.068 -4.360 1.00 0.00 O ATOM 0 H SER A 67 10.329 -1.536 -4.018 1.00 0.00 H new ATOM 0 HA SER A 67 12.696 -1.685 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.655 -3.033 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.460 -1.833 -5.420 1.00 0.00 H new ATOM 0 HG SER A 67 13.746 -3.712 -5.097 1.00 0.00 H new