USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 180:sc= 0.837 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -141:sc= -1.16 (180deg=-1.22) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.12 (180deg=1.02) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 1.16 (180deg=0.935) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 25 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 1.27 (180deg=0.817) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00501 X(o=-0.005,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= 0.153 K(o=0.15,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.397 USER MOD Single : A 60 ASN : amide:sc= -0.233 K(o=-0.23,f=-2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ -103:sc= 1.24 (180deg=-0.938) USER MOD Single : A 65 SER OG : rot 89:sc=-0.00826 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00108 X(o=-0.0011,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.696 3.951 -3.260 1.00 9.67 N ATOM 2 CA MET A 1 -12.386 4.477 -1.912 1.00 10.38 C ATOM 3 C MET A 1 -10.999 5.020 -1.851 1.00 9.62 C ATOM 4 O MET A 1 -10.187 4.746 -2.734 1.00 9.62 O ATOM 5 CB MET A 1 -12.490 3.347 -0.875 1.00 13.77 C ATOM 6 CG MET A 1 -11.541 2.148 -0.841 1.00 16.29 C ATOM 7 SD MET A 1 -11.738 0.951 0.514 1.00 17.17 S ATOM 8 CE MET A 1 -10.040 0.324 0.375 1.00 16.11 C ATOM 0 H1 MET A 1 -13.587 3.416 -3.227 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.791 4.742 -3.928 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.927 3.324 -3.573 1.00 9.67 H new ATOM 0 HA MET A 1 -13.101 5.272 -1.698 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.422 3.821 0.104 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.497 2.940 -0.963 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.648 1.609 -1.782 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.520 2.529 -0.806 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.037 -0.756 0.524 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.647 0.554 -0.615 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.415 0.796 1.132 1.00 16.11 H new ATOM 20 N GLN A 2 -10.655 5.906 -0.900 1.00 9.27 N ATOM 21 CA GLN A 2 -9.368 6.490 -0.683 1.00 9.07 C ATOM 22 C GLN A 2 -8.720 5.855 0.499 1.00 8.72 C ATOM 23 O GLN A 2 -9.404 5.596 1.488 1.00 8.22 O ATOM 24 CB GLN A 2 -9.401 8.018 -0.510 1.00 14.46 C ATOM 25 CG GLN A 2 -9.314 8.738 -1.857 1.00 17.01 C ATOM 26 CD GLN A 2 -9.261 10.237 -1.597 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.546 10.711 -0.499 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.886 11.021 -2.644 1.00 19.49 N ATOM 0 H GLN A 2 -11.340 6.243 -0.223 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.786 6.300 -1.585 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.320 8.308 -0.000 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.572 8.331 0.125 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.427 8.416 -2.403 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.176 8.491 -2.476 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -8.656 10.596 -3.542 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.835 12.033 -2.530 1.00 19.49 H new ATOM 37 N ILE A 3 -7.407 5.572 0.565 1.00 5.87 N ATOM 38 CA ILE A 3 -6.590 5.131 1.653 1.00 5.07 C ATOM 39 C ILE A 3 -5.525 6.145 1.892 1.00 4.01 C ATOM 40 O ILE A 3 -5.295 7.060 1.103 1.00 4.61 O ATOM 41 CB ILE A 3 -6.001 3.772 1.417 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.135 3.677 0.150 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.167 2.774 1.518 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.221 2.453 0.124 1.00 10.83 C ATOM 0 H ILE A 3 -6.838 5.670 -0.276 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.217 5.034 2.539 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.259 3.525 2.176 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.786 3.653 -0.724 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.525 4.577 0.068 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.795 1.763 1.354 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.617 2.839 2.509 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.916 3.012 0.763 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.640 2.452 -0.799 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.545 2.486 0.978 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.825 1.547 0.174 1.00 10.83 H new ATOM 56 N PHE A 4 -4.945 6.112 3.105 1.00 4.55 N ATOM 57 CA PHE A 4 -3.974 7.026 3.622 1.00 4.68 C ATOM 58 C PHE A 4 -2.710 6.261 3.814 1.00 5.30 C ATOM 59 O PHE A 4 -2.485 5.590 4.820 1.00 5.58 O ATOM 60 CB PHE A 4 -4.477 7.689 4.915 1.00 4.83 C ATOM 61 CG PHE A 4 -5.732 8.458 4.681 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.032 9.249 3.597 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.578 8.566 5.760 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.140 10.063 3.623 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.753 9.277 5.688 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.098 10.058 4.610 1.00 8.90 C ATOM 0 H PHE A 4 -5.176 5.383 3.780 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.794 7.848 2.929 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.653 6.925 5.672 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.708 8.355 5.307 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.397 9.231 2.724 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.313 8.080 6.687 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.268 10.759 2.807 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.439 9.219 6.520 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.024 10.610 4.545 1.00 8.90 H new ATOM 76 N VAL A 5 -1.822 6.244 2.804 1.00 4.44 N ATOM 77 CA VAL A 5 -0.548 5.608 2.943 1.00 3.87 C ATOM 78 C VAL A 5 0.418 6.659 3.368 1.00 4.93 C ATOM 79 O VAL A 5 0.808 7.538 2.601 1.00 6.84 O ATOM 80 CB VAL A 5 -0.044 5.027 1.655 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.378 4.509 1.928 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.012 3.960 1.115 1.00 9.13 C ATOM 0 H VAL A 5 -1.986 6.670 1.892 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.649 4.793 3.659 1.00 3.87 H new ATOM 0 HB VAL A 5 0.003 5.772 0.861 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.788 4.075 1.016 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.010 5.335 2.253 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.345 3.749 2.708 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.623 3.555 0.181 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.112 3.157 1.845 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.988 4.411 0.936 1.00 9.13 H new ATOM 92 N LYS A 6 0.859 6.598 4.637 1.00 6.04 N ATOM 93 CA LYS A 6 1.648 7.644 5.212 1.00 6.12 C ATOM 94 C LYS A 6 3.099 7.319 5.302 1.00 6.57 C ATOM 95 O LYS A 6 3.514 6.177 5.489 1.00 5.76 O ATOM 96 CB LYS A 6 1.108 7.950 6.619 1.00 7.45 C ATOM 97 CG LYS A 6 1.458 9.282 7.285 1.00 11.12 C ATOM 98 CD LYS A 6 0.488 9.531 8.441 1.00 14.54 C ATOM 99 CE LYS A 6 0.751 10.881 9.111 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.397 11.147 10.006 1.00 20.55 N ATOM 0 H LYS A 6 0.668 5.820 5.268 1.00 6.04 H new ATOM 0 HA LYS A 6 1.566 8.508 4.552 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.021 7.883 6.574 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.449 7.154 7.281 1.00 7.45 H new ATOM 0 HG2 LYS A 6 2.484 9.261 7.652 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.396 10.093 6.560 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.537 9.501 8.071 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.585 8.733 9.177 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.683 10.857 9.675 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.850 11.670 8.365 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.260 12.060 10.485 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.273 11.178 9.447 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.466 10.390 10.716 1.00 20.55 H new ATOM 114 N THR A 7 3.949 8.345 5.118 1.00 7.41 N ATOM 115 CA THR A 7 5.369 8.216 5.230 1.00 7.48 C ATOM 116 C THR A 7 5.818 8.499 6.622 1.00 8.75 C ATOM 117 O THR A 7 4.950 8.911 7.390 1.00 8.58 O ATOM 118 CB THR A 7 6.192 9.002 4.253 1.00 9.61 C ATOM 119 OG1 THR A 7 6.115 10.413 4.395 1.00 11.78 O ATOM 120 CG2 THR A 7 5.854 8.702 2.783 1.00 9.17 C ATOM 0 H THR A 7 3.641 9.289 4.885 1.00 7.41 H new ATOM 0 HA THR A 7 5.554 7.175 4.965 1.00 7.48 H new ATOM 0 HB THR A 7 7.198 8.666 4.503 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.682 10.841 3.720 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.488 9.306 2.133 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.027 7.645 2.578 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.808 8.942 2.594 1.00 9.17 H new ATOM 128 N LEU A 8 7.114 8.238 6.868 1.00 9.84 N ATOM 129 CA LEU A 8 7.850 8.571 8.048 1.00 14.15 C ATOM 130 C LEU A 8 7.939 10.027 8.349 1.00 17.37 C ATOM 131 O LEU A 8 7.542 10.386 9.456 1.00 17.01 O ATOM 132 CB LEU A 8 9.300 8.059 8.027 1.00 16.63 C ATOM 133 CG LEU A 8 9.504 6.543 7.863 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.003 6.203 7.884 1.00 18.59 C ATOM 135 CD2 LEU A 8 8.838 5.688 8.954 1.00 19.31 C ATOM 0 H LEU A 8 7.694 7.753 6.183 1.00 9.84 H new ATOM 0 HA LEU A 8 7.260 8.073 8.818 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.825 8.561 7.214 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.781 8.367 8.955 1.00 16.63 H new ATOM 0 HG LEU A 8 9.033 6.304 6.909 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.134 5.127 7.767 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.505 6.721 7.066 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.435 6.520 8.833 1.00 18.59 H new ATOM 0 HD21 LEU A 8 9.033 4.633 8.759 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.246 5.959 9.928 1.00 19.31 H new ATOM 0 HD23 LEU A 8 7.762 5.865 8.949 1.00 19.31 H new ATOM 147 N THR A 9 8.340 10.976 7.484 1.00 18.33 N ATOM 148 CA THR A 9 8.085 12.378 7.605 1.00 19.24 C ATOM 149 C THR A 9 6.670 12.689 7.951 1.00 19.48 C ATOM 150 O THR A 9 6.368 13.326 8.959 1.00 23.14 O ATOM 151 CB THR A 9 8.461 13.296 6.480 1.00 18.97 C ATOM 152 OG1 THR A 9 7.798 12.982 5.264 1.00 20.24 O ATOM 153 CG2 THR A 9 9.978 13.178 6.254 1.00 19.70 C ATOM 0 H THR A 9 8.877 10.749 6.647 1.00 18.33 H new ATOM 0 HA THR A 9 8.784 12.592 8.413 1.00 19.24 H new ATOM 0 HB THR A 9 8.163 14.306 6.761 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.078 13.611 4.567 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.277 13.837 5.439 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.505 13.464 7.164 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.229 12.149 5.998 1.00 19.70 H new ATOM 161 N GLY A 10 5.696 12.099 7.234 1.00 19.43 N ATOM 162 CA GLY A 10 4.270 12.117 7.342 1.00 18.74 C ATOM 163 C GLY A 10 3.707 12.859 6.179 1.00 17.62 C ATOM 164 O GLY A 10 2.881 13.763 6.291 1.00 19.74 O ATOM 0 H GLY A 10 5.965 11.511 6.445 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.881 11.099 7.364 1.00 18.74 H new ATOM 0 HA3 GLY A 10 3.969 12.594 8.275 1.00 18.74 H new ATOM 168 N LYS A 11 4.154 12.400 4.997 1.00 13.56 N ATOM 169 CA LYS A 11 3.392 12.758 3.841 1.00 11.91 C ATOM 170 C LYS A 11 2.297 11.754 3.728 1.00 10.18 C ATOM 171 O LYS A 11 2.545 10.550 3.784 1.00 9.10 O ATOM 172 CB LYS A 11 4.299 12.703 2.600 1.00 13.43 C ATOM 173 CG LYS A 11 3.579 13.102 1.310 1.00 16.69 C ATOM 174 CD LYS A 11 4.422 12.733 0.087 1.00 17.92 C ATOM 175 CE LYS A 11 4.156 13.634 -1.120 1.00 20.81 C ATOM 176 NZ LYS A 11 5.236 13.446 -2.115 1.00 21.93 N ATOM 0 H LYS A 11 4.981 11.823 4.843 1.00 13.56 H new ATOM 0 HA LYS A 11 2.985 13.766 3.919 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.152 13.364 2.752 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.694 11.693 2.491 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.612 12.601 1.257 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.383 14.174 1.313 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.478 12.791 0.350 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.219 11.698 -0.188 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.190 13.392 -1.564 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.111 14.677 -0.807 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.229 14.238 -2.789 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.155 13.413 -1.628 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.084 12.554 -2.628 1.00 21.93 H new ATOM 190 N THR A 12 1.044 12.200 3.524 1.00 9.63 N ATOM 191 CA THR A 12 -0.095 11.341 3.430 1.00 9.85 C ATOM 192 C THR A 12 -0.506 11.205 2.005 1.00 11.66 C ATOM 193 O THR A 12 -0.966 12.067 1.258 1.00 12.33 O ATOM 194 CB THR A 12 -1.298 11.858 4.163 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.049 11.972 5.556 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.505 10.906 4.104 1.00 9.63 C ATOM 0 H THR A 12 0.817 13.189 3.421 1.00 9.63 H new ATOM 0 HA THR A 12 0.216 10.396 3.875 1.00 9.85 H new ATOM 0 HB THR A 12 -1.505 12.810 3.673 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.851 12.313 6.005 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.339 11.342 4.654 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.796 10.752 3.065 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.236 9.949 4.551 1.00 9.63 H new ATOM 204 N ILE A 13 -0.323 10.031 1.375 1.00 10.42 N ATOM 205 CA ILE A 13 -0.684 9.674 0.038 1.00 11.84 C ATOM 206 C ILE A 13 -2.131 9.322 0.090 1.00 10.55 C ATOM 207 O ILE A 13 -2.558 8.338 0.692 1.00 11.92 O ATOM 208 CB ILE A 13 0.184 8.601 -0.551 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.672 8.987 -0.504 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.191 8.189 -1.984 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.523 7.834 -1.034 1.00 16.46 C ATOM 0 H ILE A 13 0.126 9.251 1.856 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.518 10.506 -0.646 1.00 11.84 H new ATOM 0 HB ILE A 13 0.003 7.732 0.082 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.844 9.882 -1.101 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.963 9.226 0.519 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.489 7.410 -2.328 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.213 7.811 -1.998 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.115 9.054 -2.643 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.576 8.113 -0.998 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.361 6.949 -0.418 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.240 7.616 -2.064 1.00 16.46 H new ATOM 223 N THR A 14 -2.944 10.212 -0.507 1.00 9.39 N ATOM 224 CA THR A 14 -4.371 10.157 -0.583 1.00 9.63 C ATOM 225 C THR A 14 -4.751 9.273 -1.721 1.00 11.20 C ATOM 226 O THR A 14 -5.153 9.689 -2.806 1.00 11.63 O ATOM 227 CB THR A 14 -4.929 11.549 -0.643 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.226 12.368 -1.566 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.789 12.106 0.783 1.00 11.66 C ATOM 0 H THR A 14 -2.570 11.038 -0.975 1.00 9.39 H new ATOM 0 HA THR A 14 -4.812 9.714 0.310 1.00 9.63 H new ATOM 0 HB THR A 14 -5.964 11.537 -0.986 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.622 13.264 -1.576 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.178 13.124 0.816 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.352 11.480 1.475 1.00 11.66 H new ATOM 0 HG23 THR A 14 -3.738 12.110 1.071 1.00 11.66 H new ATOM 237 N LEU A 15 -4.449 7.966 -1.624 1.00 8.29 N ATOM 238 CA LEU A 15 -4.467 7.114 -2.772 1.00 9.03 C ATOM 239 C LEU A 15 -5.726 6.359 -3.027 1.00 8.59 C ATOM 240 O LEU A 15 -6.315 5.739 -2.144 1.00 7.79 O ATOM 241 CB LEU A 15 -3.377 6.046 -2.576 1.00 11.08 C ATOM 242 CG LEU A 15 -2.800 5.381 -3.837 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.084 6.395 -4.746 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.874 4.231 -3.408 1.00 15.88 C ATOM 0 H LEU A 15 -4.193 7.500 -0.753 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.329 7.788 -3.618 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -2.552 6.503 -2.030 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.785 5.262 -1.939 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.616 4.976 -4.436 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.692 5.883 -5.625 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.790 7.164 -5.059 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.262 6.857 -4.199 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.457 3.750 -4.293 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.064 4.626 -2.794 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.443 3.501 -2.832 1.00 15.88 H new ATOM 256 N GLU A 16 -6.350 6.408 -4.218 1.00 11.04 N ATOM 257 CA GLU A 16 -7.692 6.019 -4.522 1.00 11.50 C ATOM 258 C GLU A 16 -7.842 4.714 -5.224 1.00 10.13 C ATOM 259 O GLU A 16 -7.506 4.530 -6.393 1.00 9.83 O ATOM 260 CB GLU A 16 -8.348 7.140 -5.347 1.00 17.22 C ATOM 261 CG GLU A 16 -9.873 7.094 -5.461 1.00 23.33 C ATOM 262 CD GLU A 16 -10.620 8.398 -5.706 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.345 9.113 -6.706 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.502 8.761 -4.882 1.00 28.90 O ATOM 0 H GLU A 16 -5.866 6.754 -5.046 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.188 5.869 -3.563 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.066 8.097 -4.908 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.929 7.115 -6.353 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.125 6.410 -6.271 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.262 6.656 -4.542 1.00 23.33 H new ATOM 271 N VAL A 17 -8.237 3.689 -4.447 1.00 8.99 N ATOM 272 CA VAL A 17 -8.284 2.329 -4.885 1.00 8.85 C ATOM 273 C VAL A 17 -9.653 1.783 -4.663 1.00 8.04 C ATOM 274 O VAL A 17 -10.462 2.307 -3.900 1.00 8.99 O ATOM 275 CB VAL A 17 -7.239 1.576 -4.116 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.827 1.998 -4.556 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.525 1.800 -2.622 1.00 10.54 C ATOM 0 H VAL A 17 -8.534 3.812 -3.479 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.076 2.238 -5.951 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.280 0.505 -4.317 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.086 1.439 -3.985 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.699 1.790 -5.618 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.694 3.065 -4.377 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.784 1.267 -2.026 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.473 2.865 -2.397 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.521 1.427 -2.382 1.00 10.54 H new ATOM 287 N GLU A 18 -9.977 0.606 -5.228 1.00 7.29 N ATOM 288 CA GLU A 18 -11.091 -0.161 -4.764 1.00 7.08 C ATOM 289 C GLU A 18 -10.596 -1.222 -3.842 1.00 6.45 C ATOM 290 O GLU A 18 -9.391 -1.451 -3.743 1.00 5.28 O ATOM 291 CB GLU A 18 -11.634 -0.703 -6.096 1.00 10.28 C ATOM 292 CG GLU A 18 -12.533 0.202 -6.941 1.00 12.65 C ATOM 293 CD GLU A 18 -12.812 -0.240 -8.370 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.800 -0.497 -9.075 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.982 -0.377 -8.817 1.00 18.17 O ATOM 0 H GLU A 18 -9.468 0.186 -6.006 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.851 0.369 -4.190 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.780 -0.989 -6.710 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.191 -1.615 -5.880 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.488 0.306 -6.426 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.080 1.193 -6.975 1.00 12.65 H new ATOM 302 N PRO A 19 -11.402 -1.954 -3.132 1.00 7.24 N ATOM 303 CA PRO A 19 -10.880 -2.890 -2.180 1.00 7.07 C ATOM 304 C PRO A 19 -10.567 -4.164 -2.886 1.00 6.65 C ATOM 305 O PRO A 19 -9.995 -5.032 -2.229 1.00 6.37 O ATOM 306 CB PRO A 19 -11.960 -3.108 -1.123 1.00 7.61 C ATOM 307 CG PRO A 19 -13.229 -2.707 -1.891 1.00 8.16 C ATOM 308 CD PRO A 19 -12.809 -1.648 -2.923 1.00 7.49 C ATOM 0 HA PRO A 19 -9.968 -2.525 -1.708 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -11.997 -4.143 -0.782 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.801 -2.487 -0.241 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.672 -3.572 -2.384 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.982 -2.307 -1.212 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.384 -1.730 -3.846 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.953 -0.635 -2.547 1.00 7.49 H new ATOM 316 N SER A 20 -10.871 -4.305 -4.189 1.00 6.80 N ATOM 317 CA SER A 20 -10.574 -5.495 -4.924 1.00 6.28 C ATOM 318 C SER A 20 -9.267 -5.275 -5.605 1.00 8.45 C ATOM 319 O SER A 20 -8.948 -5.977 -6.564 1.00 7.26 O ATOM 320 CB SER A 20 -11.627 -5.761 -6.013 1.00 8.57 C ATOM 321 OG SER A 20 -12.821 -6.318 -5.484 1.00 11.13 O ATOM 0 H SER A 20 -11.331 -3.581 -4.741 1.00 6.80 H new ATOM 0 HA SER A 20 -10.558 -6.343 -4.240 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.860 -4.828 -6.525 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.212 -6.439 -6.759 1.00 8.57 H new ATOM 0 HG SER A 20 -13.461 -6.469 -6.210 1.00 11.13 H new ATOM 327 N ASP A 21 -8.433 -4.307 -5.186 1.00 7.50 N ATOM 328 CA ASP A 21 -7.121 -4.088 -5.712 1.00 7.70 C ATOM 329 C ASP A 21 -6.137 -4.821 -4.867 1.00 7.08 C ATOM 330 O ASP A 21 -6.317 -4.845 -3.651 1.00 8.11 O ATOM 331 CB ASP A 21 -6.840 -2.578 -5.644 1.00 11.00 C ATOM 332 CG ASP A 21 -7.638 -1.869 -6.730 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.862 -2.512 -7.790 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.991 -0.669 -6.575 1.00 14.36 O ATOM 0 H ASP A 21 -8.684 -3.648 -4.449 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.043 -4.442 -6.740 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.113 -2.189 -4.663 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.775 -2.388 -5.777 1.00 11.00 H new ATOM 339 N THR A 22 -5.109 -5.472 -5.441 1.00 5.37 N ATOM 340 CA THR A 22 -4.050 -6.092 -4.707 1.00 6.01 C ATOM 341 C THR A 22 -2.944 -5.166 -4.330 1.00 8.01 C ATOM 342 O THR A 22 -2.873 -4.055 -4.852 1.00 8.11 O ATOM 343 CB THR A 22 -3.454 -7.104 -5.640 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.243 -6.562 -6.935 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.352 -8.350 -5.726 1.00 9.65 C ATOM 0 H THR A 22 -5.012 -5.570 -6.452 1.00 5.37 H new ATOM 0 HA THR A 22 -4.468 -6.490 -3.782 1.00 6.01 H new ATOM 0 HB THR A 22 -2.483 -7.391 -5.236 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.853 -7.247 -7.517 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.905 -9.074 -6.407 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.451 -8.796 -4.736 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.337 -8.064 -6.096 1.00 9.65 H new ATOM 353 N ILE A 23 -2.060 -5.576 -3.404 1.00 8.32 N ATOM 354 CA ILE A 23 -1.093 -4.771 -2.724 1.00 9.92 C ATOM 355 C ILE A 23 -0.037 -4.432 -3.718 1.00 10.01 C ATOM 356 O ILE A 23 0.618 -3.391 -3.703 1.00 8.71 O ATOM 357 CB ILE A 23 -0.484 -5.543 -1.591 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.573 -5.935 -0.579 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.564 -4.705 -0.839 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.390 -4.778 -0.006 1.00 12.30 C ATOM 0 H ILE A 23 -2.019 -6.551 -3.107 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.557 -3.873 -2.315 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.009 -6.425 -2.021 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.256 -6.635 -1.060 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.101 -6.467 0.247 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.985 -5.295 -0.025 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.359 -4.415 -1.526 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.091 -3.811 -0.433 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.128 -5.166 0.696 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.726 -4.085 0.512 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.899 -4.256 -0.816 1.00 12.30 H new ATOM 372 N GLU A 24 0.160 -5.293 -4.733 1.00 9.54 N ATOM 373 CA GLU A 24 0.912 -5.108 -5.935 1.00 11.81 C ATOM 374 C GLU A 24 0.501 -3.982 -6.819 1.00 11.14 C ATOM 375 O GLU A 24 1.325 -3.132 -7.155 1.00 10.62 O ATOM 376 CB GLU A 24 0.697 -6.379 -6.775 1.00 19.24 C ATOM 377 CG GLU A 24 1.549 -6.472 -8.042 1.00 27.76 C ATOM 378 CD GLU A 24 1.976 -7.908 -8.314 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.167 -8.652 -8.930 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.101 -8.293 -7.897 1.00 34.80 O ATOM 0 H GLU A 24 -0.257 -6.223 -4.704 1.00 9.54 H new ATOM 0 HA GLU A 24 1.930 -4.892 -5.612 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.906 -7.248 -6.151 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.354 -6.435 -7.058 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.984 -6.091 -8.892 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.432 -5.841 -7.937 1.00 27.76 H new ATOM 387 N ASN A 25 -0.792 -3.852 -7.165 1.00 9.43 N ATOM 388 CA ASN A 25 -1.402 -2.739 -7.823 1.00 10.96 C ATOM 389 C ASN A 25 -1.547 -1.459 -7.073 1.00 9.68 C ATOM 390 O ASN A 25 -1.561 -0.350 -7.603 1.00 9.33 O ATOM 391 CB ASN A 25 -2.835 -3.019 -8.305 1.00 16.78 C ATOM 392 CG ASN A 25 -2.977 -4.151 -9.312 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.066 -4.697 -9.485 1.00 25.66 O ATOM 394 ND2 ASN A 25 -1.919 -4.565 -10.060 1.00 24.70 N ATOM 0 H ASN A 25 -1.467 -4.590 -6.966 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.666 -2.614 -8.617 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.454 -3.248 -7.437 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.235 -2.108 -8.750 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.039 -5.311 -10.745 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -1.005 -4.129 -9.936 1.00 24.70 H new ATOM 401 N VAL A 26 -1.527 -1.558 -5.732 1.00 6.52 N ATOM 402 CA VAL A 26 -1.391 -0.576 -4.701 1.00 5.53 C ATOM 403 C VAL A 26 -0.021 0.000 -4.808 1.00 4.42 C ATOM 404 O VAL A 26 0.093 1.210 -4.993 1.00 3.40 O ATOM 405 CB VAL A 26 -1.818 -0.940 -3.310 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.239 0.023 -2.260 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.351 -1.054 -3.256 1.00 8.12 C ATOM 0 H VAL A 26 -1.622 -2.482 -5.310 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.148 0.185 -4.890 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.406 -1.916 -3.053 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.573 -0.278 -1.267 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.150 -0.006 -2.301 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.582 1.037 -2.467 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.661 -1.319 -2.245 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.797 -0.099 -3.534 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.683 -1.825 -3.951 1.00 8.12 H new ATOM 417 N LYS A 27 1.061 -0.798 -4.764 1.00 2.64 N ATOM 418 CA LYS A 27 2.386 -0.317 -5.006 1.00 4.14 C ATOM 419 C LYS A 27 2.673 0.257 -6.350 1.00 5.58 C ATOM 420 O LYS A 27 3.388 1.239 -6.542 1.00 4.11 O ATOM 421 CB LYS A 27 3.441 -1.379 -4.653 1.00 3.97 C ATOM 422 CG LYS A 27 3.326 -1.896 -3.218 1.00 7.45 C ATOM 423 CD LYS A 27 4.340 -2.934 -2.731 1.00 9.02 C ATOM 424 CE LYS A 27 4.121 -4.327 -3.325 1.00 12.90 C ATOM 425 NZ LYS A 27 5.070 -5.306 -2.751 1.00 15.47 N ATOM 0 H LYS A 27 1.015 -1.796 -4.557 1.00 2.64 H new ATOM 0 HA LYS A 27 2.450 0.539 -4.334 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.346 -2.218 -5.342 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.435 -0.956 -4.800 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.385 -1.036 -2.550 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.331 -2.324 -3.099 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.345 -2.594 -2.982 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.288 -2.999 -1.644 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.098 -4.651 -3.132 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.244 -4.288 -4.407 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.614 -6.239 -2.693 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.912 -5.370 -3.358 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.352 -4.999 -1.798 1.00 15.47 H new ATOM 439 N ALA A 28 2.206 -0.418 -7.416 1.00 6.61 N ATOM 440 CA ALA A 28 2.287 0.054 -8.764 1.00 7.74 C ATOM 441 C ALA A 28 1.655 1.387 -8.970 1.00 9.17 C ATOM 442 O ALA A 28 2.137 2.241 -9.713 1.00 11.45 O ATOM 443 CB ALA A 28 1.696 -1.011 -9.702 1.00 7.68 C ATOM 0 H ALA A 28 1.754 -1.329 -7.336 1.00 6.61 H new ATOM 0 HA ALA A 28 3.340 0.209 -9.000 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.753 -0.660 -10.732 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.261 -1.938 -9.602 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.654 -1.191 -9.437 1.00 7.68 H new ATOM 449 N LYS A 29 0.590 1.683 -8.203 1.00 8.96 N ATOM 450 CA LYS A 29 -0.066 2.953 -8.237 1.00 7.90 C ATOM 451 C LYS A 29 0.830 4.022 -7.714 1.00 6.92 C ATOM 452 O LYS A 29 0.885 5.187 -8.107 1.00 6.87 O ATOM 453 CB LYS A 29 -1.457 2.867 -7.585 1.00 10.28 C ATOM 454 CG LYS A 29 -2.532 3.783 -8.172 1.00 14.94 C ATOM 455 CD LYS A 29 -3.889 3.096 -8.010 1.00 19.69 C ATOM 456 CE LYS A 29 -5.090 3.692 -8.748 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.397 3.136 -8.333 1.00 24.98 N ATOM 0 H LYS A 29 0.175 1.024 -7.544 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.268 3.245 -9.268 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.807 1.837 -7.657 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.354 3.095 -6.524 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.531 4.746 -7.661 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.329 3.980 -9.225 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.779 2.061 -8.333 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.128 3.075 -6.947 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.100 4.770 -8.590 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.962 3.528 -9.818 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.107 3.333 -9.067 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.311 2.108 -8.201 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.693 3.576 -7.438 1.00 24.98 H new ATOM 471 N ILE A 30 1.589 3.675 -6.660 1.00 4.57 N ATOM 472 CA ILE A 30 2.558 4.489 -5.993 1.00 5.58 C ATOM 473 C ILE A 30 3.786 4.746 -6.797 1.00 7.26 C ATOM 474 O ILE A 30 4.471 5.759 -6.670 1.00 9.46 O ATOM 475 CB ILE A 30 2.864 3.890 -4.652 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.619 3.895 -3.749 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.941 4.684 -3.894 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.671 3.083 -2.456 1.00 2.00 C ATOM 0 H ILE A 30 1.518 2.748 -6.240 1.00 4.57 H new ATOM 0 HA ILE A 30 2.122 5.478 -5.854 1.00 5.58 H new ATOM 0 HB ILE A 30 3.209 2.877 -4.857 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.401 4.930 -3.485 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.777 3.532 -4.338 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.129 4.213 -2.929 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.862 4.697 -4.477 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.597 5.706 -3.737 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.724 3.182 -1.926 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.846 2.033 -2.692 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.480 3.453 -1.826 1.00 2.00 H new ATOM 490 N GLN A 31 4.098 3.692 -7.573 1.00 7.06 N ATOM 491 CA GLN A 31 5.101 3.621 -8.589 1.00 8.67 C ATOM 492 C GLN A 31 5.004 4.705 -9.608 1.00 10.90 C ATOM 493 O GLN A 31 5.867 5.536 -9.885 1.00 9.63 O ATOM 494 CB GLN A 31 5.316 2.231 -9.212 1.00 9.12 C ATOM 495 CG GLN A 31 6.680 2.036 -9.877 1.00 10.76 C ATOM 496 CD GLN A 31 6.692 0.770 -10.721 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.906 -0.147 -10.489 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.577 0.701 -11.752 1.00 14.76 N ATOM 0 H GLN A 31 3.599 2.807 -7.478 1.00 7.06 H new ATOM 0 HA GLN A 31 6.021 3.807 -8.035 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.194 1.476 -8.435 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.536 2.055 -9.953 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.911 2.898 -10.503 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.457 1.978 -9.114 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.219 1.474 -11.925 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.598 -0.124 -12.352 1.00 14.76 H new ATOM 507 N ASP A 32 3.752 4.813 -10.088 1.00 10.93 N ATOM 508 CA ASP A 32 3.215 5.790 -10.983 1.00 14.01 C ATOM 509 C ASP A 32 3.213 7.165 -10.408 1.00 14.04 C ATOM 510 O ASP A 32 3.803 8.080 -10.979 1.00 13.39 O ATOM 511 CB ASP A 32 1.864 5.410 -11.611 1.00 18.01 C ATOM 512 CG ASP A 32 1.366 6.572 -12.459 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.827 6.766 -13.615 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.418 7.286 -12.034 1.00 26.29 O ATOM 0 H ASP A 32 3.038 4.137 -9.816 1.00 10.93 H new ATOM 0 HA ASP A 32 3.914 5.801 -11.819 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.973 4.516 -12.225 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.139 5.175 -10.831 1.00 18.01 H new ATOM 519 N LYS A 33 2.630 7.353 -9.210 1.00 14.22 N ATOM 520 CA LYS A 33 2.483 8.561 -8.459 1.00 14.00 C ATOM 521 C LYS A 33 3.788 9.070 -7.951 1.00 12.37 C ATOM 522 O LYS A 33 4.229 10.036 -8.572 1.00 12.17 O ATOM 523 CB LYS A 33 1.520 8.489 -7.262 1.00 18.62 C ATOM 524 CG LYS A 33 1.161 9.767 -6.502 1.00 24.00 C ATOM 525 CD LYS A 33 0.334 10.758 -7.323 1.00 27.61 C ATOM 526 CE LYS A 33 -0.186 12.043 -6.677 1.00 27.64 C ATOM 527 NZ LYS A 33 0.837 12.725 -5.853 1.00 30.06 N ATOM 0 H LYS A 33 2.215 6.564 -8.714 1.00 14.22 H new ATOM 0 HA LYS A 33 2.048 9.240 -9.192 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.589 8.050 -7.619 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.947 7.791 -6.542 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.605 9.501 -5.603 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.079 10.256 -6.176 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.938 11.049 -8.183 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.530 10.217 -7.709 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.530 12.723 -7.457 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.050 11.808 -6.055 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.431 13.589 -5.440 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.149 12.090 -5.091 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.652 12.976 -6.449 1.00 30.06 H new ATOM 541 N GLU A 34 4.456 8.551 -6.905 1.00 10.11 N ATOM 542 CA GLU A 34 5.753 8.946 -6.450 1.00 10.07 C ATOM 543 C GLU A 34 6.913 8.755 -7.366 1.00 9.32 C ATOM 544 O GLU A 34 7.772 9.629 -7.478 1.00 11.61 O ATOM 545 CB GLU A 34 6.060 8.333 -5.073 1.00 14.77 C ATOM 546 CG GLU A 34 5.007 8.722 -4.033 1.00 18.75 C ATOM 547 CD GLU A 34 5.286 9.986 -3.233 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.282 9.999 -2.462 1.00 25.19 O ATOM 549 OE2 GLU A 34 4.493 10.965 -3.246 1.00 21.95 O ATOM 0 H GLU A 34 4.060 7.802 -6.337 1.00 10.11 H new ATOM 0 HA GLU A 34 5.657 10.031 -6.399 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.103 7.247 -5.159 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.043 8.665 -4.738 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.051 8.843 -4.543 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.893 7.893 -3.335 1.00 18.75 H new ATOM 556 N GLY A 35 7.100 7.547 -7.925 1.00 7.22 N ATOM 557 CA GLY A 35 8.250 7.259 -8.724 1.00 6.29 C ATOM 558 C GLY A 35 9.360 6.617 -7.964 1.00 6.93 C ATOM 559 O GLY A 35 10.496 6.692 -8.428 1.00 7.41 O ATOM 0 H GLY A 35 6.452 6.766 -7.823 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.957 6.604 -9.545 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.614 8.185 -9.169 1.00 6.29 H new ATOM 563 N ILE A 36 8.990 5.870 -6.908 1.00 5.86 N ATOM 564 CA ILE A 36 9.751 5.076 -5.996 1.00 6.07 C ATOM 565 C ILE A 36 9.663 3.684 -6.522 1.00 6.36 C ATOM 566 O ILE A 36 8.533 3.219 -6.660 1.00 6.18 O ATOM 567 CB ILE A 36 9.338 5.207 -4.560 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.322 6.694 -4.165 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.267 4.351 -3.682 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.630 6.991 -2.836 1.00 9.49 C ATOM 0 H ILE A 36 8.001 5.821 -6.663 1.00 5.86 H new ATOM 0 HA ILE A 36 10.784 5.422 -5.956 1.00 6.07 H new ATOM 0 HB ILE A 36 8.326 4.831 -4.409 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.350 7.054 -4.113 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.825 7.260 -4.953 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.969 4.445 -2.638 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.196 3.307 -3.987 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.295 4.694 -3.798 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.666 8.062 -2.638 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.591 6.666 -2.886 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.139 6.457 -2.034 1.00 9.49 H new ATOM 582 N PRO A 37 10.666 2.968 -6.933 1.00 8.65 N ATOM 583 CA PRO A 37 10.467 1.706 -7.584 1.00 9.18 C ATOM 584 C PRO A 37 9.943 0.664 -6.657 1.00 9.85 C ATOM 585 O PRO A 37 10.004 0.824 -5.439 1.00 8.51 O ATOM 586 CB PRO A 37 11.873 1.234 -7.946 1.00 11.42 C ATOM 587 CG PRO A 37 12.699 2.508 -8.182 1.00 9.27 C ATOM 588 CD PRO A 37 11.982 3.501 -7.254 1.00 8.33 C ATOM 0 HA PRO A 37 9.769 1.833 -8.411 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.302 0.634 -7.144 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.857 0.608 -8.838 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.747 2.375 -7.913 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.676 2.827 -9.224 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.561 3.654 -6.343 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.889 4.473 -7.739 1.00 8.33 H new ATOM 596 N PRO A 38 9.321 -0.372 -7.138 1.00 8.71 N ATOM 597 CA PRO A 38 8.284 -1.051 -6.417 1.00 9.08 C ATOM 598 C PRO A 38 8.833 -1.951 -5.364 1.00 9.28 C ATOM 599 O PRO A 38 8.091 -2.300 -4.447 1.00 6.50 O ATOM 600 CB PRO A 38 7.459 -1.720 -7.515 1.00 10.31 C ATOM 601 CG PRO A 38 8.479 -2.038 -8.620 1.00 10.81 C ATOM 602 CD PRO A 38 9.411 -0.821 -8.519 1.00 12.00 C ATOM 0 HA PRO A 38 7.648 -0.395 -5.823 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.973 -2.625 -7.151 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.672 -1.059 -7.879 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.004 -2.976 -8.439 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.012 -2.119 -9.601 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.435 -1.089 -8.778 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.104 -0.034 -9.208 1.00 12.00 H new ATOM 610 N ASP A 39 10.088 -2.410 -5.512 1.00 11.20 N ATOM 611 CA ASP A 39 10.782 -3.368 -4.708 1.00 14.96 C ATOM 612 C ASP A 39 11.042 -2.894 -3.319 1.00 13.99 C ATOM 613 O ASP A 39 11.357 -3.699 -2.445 1.00 13.75 O ATOM 614 CB ASP A 39 12.063 -3.809 -5.436 1.00 24.16 C ATOM 615 CG ASP A 39 12.931 -2.675 -5.963 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.575 -2.065 -7.006 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.023 -2.385 -5.404 1.00 35.55 O ATOM 0 H ASP A 39 10.676 -2.074 -6.275 1.00 11.20 H new ATOM 0 HA ASP A 39 10.135 -4.236 -4.580 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.659 -4.415 -4.754 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.784 -4.451 -6.272 1.00 24.16 H new ATOM 622 N GLN A 40 10.924 -1.566 -3.142 1.00 11.60 N ATOM 623 CA GLN A 40 11.252 -0.830 -1.960 1.00 10.76 C ATOM 624 C GLN A 40 10.123 -0.625 -1.009 1.00 8.01 C ATOM 625 O GLN A 40 10.256 -0.582 0.213 1.00 8.96 O ATOM 626 CB GLN A 40 11.818 0.543 -2.358 1.00 11.14 C ATOM 627 CG GLN A 40 13.087 0.430 -3.206 1.00 14.85 C ATOM 628 CD GLN A 40 13.743 1.799 -3.312 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.872 2.611 -2.397 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.329 2.070 -4.509 1.00 18.16 N ATOM 0 H GLN A 40 10.572 -0.961 -3.884 1.00 11.60 H new ATOM 0 HA GLN A 40 11.984 -1.441 -1.431 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.062 1.097 -2.914 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.036 1.117 -1.458 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.777 -0.283 -2.755 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.843 0.053 -4.199 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.236 1.412 -5.283 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.861 2.931 -4.633 1.00 18.16 H new ATOM 639 N GLN A 41 8.887 -0.638 -1.538 1.00 6.52 N ATOM 640 CA GLN A 41 7.649 -0.451 -0.846 1.00 3.87 C ATOM 641 C GLN A 41 7.121 -1.492 0.080 1.00 4.79 C ATOM 642 O GLN A 41 6.251 -2.307 -0.221 1.00 6.34 O ATOM 643 CB GLN A 41 6.623 -0.032 -1.912 1.00 4.20 C ATOM 644 CG GLN A 41 6.978 1.142 -2.827 1.00 3.20 C ATOM 645 CD GLN A 41 5.796 1.514 -3.709 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.648 1.546 -3.268 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.054 1.688 -5.033 1.00 7.13 N ATOM 0 H GLN A 41 8.743 -0.793 -2.536 1.00 6.52 H new ATOM 0 HA GLN A 41 7.861 0.306 -0.091 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.423 -0.898 -2.542 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.691 0.212 -1.401 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.274 2.002 -2.226 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.833 0.879 -3.449 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.015 1.657 -5.374 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.287 1.850 -5.685 1.00 7.13 H new ATOM 656 N ARG A 42 7.522 -1.478 1.364 1.00 5.73 N ATOM 657 CA ARG A 42 6.978 -2.195 2.475 1.00 6.97 C ATOM 658 C ARG A 42 5.738 -1.654 3.101 1.00 7.15 C ATOM 659 O ARG A 42 5.720 -0.564 3.670 1.00 7.33 O ATOM 660 CB ARG A 42 8.129 -2.493 3.451 1.00 13.23 C ATOM 661 CG ARG A 42 7.850 -3.558 4.513 1.00 21.27 C ATOM 662 CD ARG A 42 9.094 -3.789 5.373 1.00 26.14 C ATOM 663 NE ARG A 42 8.834 -4.465 6.675 1.00 32.26 N ATOM 664 CZ ARG A 42 9.364 -4.050 7.862 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.394 -3.162 7.982 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.821 -4.603 8.985 1.00 36.39 N ATOM 0 H ARG A 42 8.313 -0.901 1.651 1.00 5.73 H new ATOM 0 HA ARG A 42 6.565 -3.127 2.089 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.998 -2.805 2.872 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.399 -1.566 3.957 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.017 -3.244 5.143 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.553 -4.491 4.033 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.806 -4.387 4.804 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.569 -2.827 5.567 1.00 26.14 H new ATOM 0 HE ARG A 42 8.226 -5.284 6.679 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.821 -2.761 7.147 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.736 -2.900 8.906 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.065 -5.283 8.904 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.171 -4.336 9.905 1.00 36.39 H new ATOM 680 N LEU A 43 4.560 -2.298 3.023 1.00 4.65 N ATOM 681 CA LEU A 43 3.353 -1.711 3.515 1.00 3.51 C ATOM 682 C LEU A 43 2.879 -2.372 4.764 1.00 5.56 C ATOM 683 O LEU A 43 2.406 -3.507 4.739 1.00 4.19 O ATOM 684 CB LEU A 43 2.185 -1.663 2.515 1.00 3.74 C ATOM 685 CG LEU A 43 2.190 -0.572 1.431 1.00 6.32 C ATOM 686 CD1 LEU A 43 2.884 -0.945 0.110 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.741 -0.221 1.054 1.00 9.55 C ATOM 0 H LEU A 43 4.443 -3.227 2.618 1.00 4.65 H new ATOM 0 HA LEU A 43 3.645 -0.679 3.711 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.139 -2.629 2.012 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.263 -1.557 3.087 1.00 3.74 H new ATOM 0 HG LEU A 43 2.749 0.247 1.883 1.00 6.32 H new ATOM 0 HD11 LEU A 43 2.828 -0.104 -0.581 1.00 6.41 H new ATOM 0 HD12 LEU A 43 3.929 -1.187 0.304 1.00 6.41 H new ATOM 0 HD13 LEU A 43 2.387 -1.810 -0.330 1.00 6.41 H new ATOM 0 HD21 LEU A 43 0.742 0.552 0.286 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.239 -1.110 0.673 1.00 9.55 H new ATOM 0 HD23 LEU A 43 0.214 0.144 1.935 1.00 9.55 H new ATOM 699 N ILE A 44 2.948 -1.725 5.942 1.00 4.58 N ATOM 700 CA ILE A 44 2.480 -2.189 7.210 1.00 5.55 C ATOM 701 C ILE A 44 1.203 -1.507 7.564 1.00 5.46 C ATOM 702 O ILE A 44 1.066 -0.284 7.580 1.00 6.04 O ATOM 703 CB ILE A 44 3.498 -1.987 8.293 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.870 -2.508 7.834 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.145 -2.620 9.651 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.821 -4.010 7.560 1.00 13.90 C ATOM 0 H ILE A 44 3.368 -0.798 6.010 1.00 4.58 H new ATOM 0 HA ILE A 44 2.305 -3.262 7.126 1.00 5.55 H new ATOM 0 HB ILE A 44 3.517 -0.910 8.461 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.180 -1.980 6.932 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.617 -2.298 8.599 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.943 -2.418 10.365 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.212 -2.194 10.019 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.030 -3.697 9.531 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.804 -4.353 7.237 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.534 -4.537 8.470 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.090 -4.213 6.777 1.00 13.90 H new ATOM 718 N PHE A 45 0.217 -2.373 7.854 1.00 6.75 N ATOM 719 CA PHE A 45 -1.032 -2.064 8.479 1.00 4.70 C ATOM 720 C PHE A 45 -0.906 -2.506 9.896 1.00 6.34 C ATOM 721 O PHE A 45 -0.782 -3.705 10.141 1.00 5.45 O ATOM 722 CB PHE A 45 -2.200 -2.854 7.866 1.00 5.51 C ATOM 723 CG PHE A 45 -3.544 -2.629 8.466 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.879 -1.518 9.204 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.475 -3.621 8.268 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.147 -1.346 9.709 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.748 -3.455 8.761 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.096 -2.297 9.414 1.00 6.84 C ATOM 0 H PHE A 45 0.300 -3.366 7.634 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.237 -1.000 8.359 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.256 -2.612 6.805 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.968 -3.917 7.938 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.130 -0.763 9.391 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.210 -4.520 7.732 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.390 -0.489 10.319 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.479 -4.240 8.634 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.125 -2.132 9.698 1.00 6.84 H new ATOM 738 N ALA A 46 -0.992 -1.638 10.920 1.00 6.53 N ATOM 739 CA ALA A 46 -0.924 -1.950 12.314 1.00 7.15 C ATOM 740 C ALA A 46 0.349 -2.623 12.699 1.00 9.00 C ATOM 741 O ALA A 46 1.377 -1.968 12.541 1.00 11.15 O ATOM 742 CB ALA A 46 -2.161 -2.736 12.779 1.00 8.99 C ATOM 0 H ALA A 46 -1.119 -0.639 10.758 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.927 -0.997 12.844 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.074 -2.955 13.843 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.057 -2.141 12.603 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.230 -3.670 12.221 1.00 8.99 H new ATOM 748 N GLY A 47 0.306 -3.916 13.068 1.00 9.35 N ATOM 749 CA GLY A 47 1.531 -4.642 13.192 1.00 11.68 C ATOM 750 C GLY A 47 1.698 -5.706 12.162 1.00 11.14 C ATOM 751 O GLY A 47 2.463 -6.649 12.357 1.00 13.93 O ATOM 0 H GLY A 47 -0.543 -4.443 13.274 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.366 -3.945 13.122 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.577 -5.095 14.182 1.00 11.68 H new ATOM 755 N LYS A 48 0.947 -5.700 11.046 1.00 10.47 N ATOM 756 CA LYS A 48 0.668 -6.748 10.114 1.00 8.82 C ATOM 757 C LYS A 48 1.159 -6.330 8.771 1.00 7.68 C ATOM 758 O LYS A 48 1.111 -5.142 8.455 1.00 6.47 O ATOM 759 CB LYS A 48 -0.829 -7.102 10.150 1.00 9.74 C ATOM 760 CG LYS A 48 -1.359 -7.552 11.513 1.00 14.14 C ATOM 761 CD LYS A 48 -2.869 -7.734 11.345 1.00 16.32 C ATOM 762 CE LYS A 48 -3.605 -8.477 12.461 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.036 -8.388 12.094 1.00 23.92 N ATOM 0 H LYS A 48 0.474 -4.841 10.764 1.00 10.47 H new ATOM 0 HA LYS A 48 1.193 -7.666 10.379 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.400 -6.232 9.825 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.016 -7.895 9.425 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.887 -8.483 11.826 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.139 -6.810 12.280 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -3.320 -6.747 11.240 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.045 -8.266 10.410 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.278 -9.514 12.528 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.416 -8.020 13.432 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.609 -8.875 12.812 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.320 -7.389 12.044 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -5.186 -8.837 11.168 1.00 23.92 H new ATOM 777 N GLN A 49 1.762 -7.298 8.057 1.00 8.89 N ATOM 778 CA GLN A 49 2.529 -6.990 6.890 1.00 7.18 C ATOM 779 C GLN A 49 1.638 -7.406 5.771 1.00 8.23 C ATOM 780 O GLN A 49 1.159 -8.535 5.680 1.00 9.70 O ATOM 781 CB GLN A 49 3.902 -7.681 6.918 1.00 11.67 C ATOM 782 CG GLN A 49 3.845 -9.210 6.904 1.00 15.82 C ATOM 783 CD GLN A 49 5.177 -9.946 6.917 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.895 -10.045 5.924 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.606 -10.391 8.129 1.00 20.67 N ATOM 0 H GLN A 49 1.719 -8.291 8.287 1.00 8.89 H new ATOM 0 HA GLN A 49 2.798 -5.938 6.797 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.481 -7.344 6.058 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.438 -7.358 7.810 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.268 -9.536 7.769 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.293 -9.521 6.017 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.003 -10.304 8.947 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.531 -10.811 8.220 1.00 20.67 H new ATOM 794 N LEU A 50 1.382 -6.528 4.785 1.00 6.51 N ATOM 795 CA LEU A 50 0.486 -6.826 3.711 1.00 7.41 C ATOM 796 C LEU A 50 1.177 -7.531 2.595 1.00 8.27 C ATOM 797 O LEU A 50 2.094 -6.932 2.035 1.00 8.34 O ATOM 798 CB LEU A 50 -0.098 -5.514 3.160 1.00 7.13 C ATOM 799 CG LEU A 50 -0.816 -4.606 4.174 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.448 -3.327 3.600 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.872 -5.423 4.937 1.00 8.14 C ATOM 0 H LEU A 50 1.802 -5.600 4.732 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.297 -7.474 4.104 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.712 -4.944 2.705 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.801 -5.760 2.364 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.032 -4.246 4.840 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.926 -2.765 4.403 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.674 -2.714 3.139 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.193 -3.594 2.851 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.381 -4.780 5.655 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.599 -5.826 4.232 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.386 -6.243 5.465 1.00 8.14 H new ATOM 813 N GLU A 51 0.652 -8.674 2.117 1.00 9.43 N ATOM 814 CA GLU A 51 1.382 -9.359 1.095 1.00 11.90 C ATOM 815 C GLU A 51 0.711 -9.220 -0.228 1.00 11.49 C ATOM 816 O GLU A 51 -0.466 -8.871 -0.300 1.00 9.88 O ATOM 817 CB GLU A 51 1.625 -10.760 1.680 1.00 16.56 C ATOM 818 CG GLU A 51 2.545 -10.843 2.900 1.00 26.06 C ATOM 819 CD GLU A 51 2.852 -12.293 3.246 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.656 -12.861 2.459 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.345 -12.863 4.249 1.00 33.44 O ATOM 0 H GLU A 51 -0.224 -9.104 2.415 1.00 9.43 H new ATOM 0 HA GLU A 51 2.359 -8.946 0.843 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.660 -11.188 1.951 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.043 -11.389 0.894 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.473 -10.308 2.699 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.073 -10.353 3.752 1.00 26.06 H new ATOM 828 N ASP A 52 1.440 -9.407 -1.343 1.00 12.71 N ATOM 829 CA ASP A 52 1.248 -8.913 -2.671 1.00 16.56 C ATOM 830 C ASP A 52 -0.055 -9.303 -3.279 1.00 15.83 C ATOM 831 O ASP A 52 -0.736 -8.491 -3.904 1.00 17.21 O ATOM 832 CB ASP A 52 2.391 -9.446 -3.552 1.00 21.05 C ATOM 833 CG ASP A 52 3.675 -8.937 -2.913 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.926 -7.737 -3.202 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.346 -9.685 -2.153 1.00 25.82 O ATOM 0 H ASP A 52 2.279 -9.986 -1.301 1.00 12.71 H new ATOM 0 HA ASP A 52 1.245 -7.825 -2.612 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.379 -10.535 -3.592 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.295 -9.088 -4.577 1.00 21.05 H new ATOM 840 N GLY A 53 -0.286 -10.628 -3.251 1.00 15.00 N ATOM 841 CA GLY A 53 -1.275 -11.193 -4.116 1.00 11.77 C ATOM 842 C GLY A 53 -2.616 -11.242 -3.469 1.00 11.10 C ATOM 843 O GLY A 53 -3.577 -11.685 -4.097 1.00 11.25 O ATOM 0 H GLY A 53 0.197 -11.293 -2.647 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.335 -10.605 -5.032 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.973 -12.200 -4.403 1.00 11.77 H new ATOM 847 N ARG A 54 -2.665 -10.818 -2.193 1.00 8.53 N ATOM 848 CA ARG A 54 -3.891 -10.530 -1.516 1.00 9.05 C ATOM 849 C ARG A 54 -4.355 -9.126 -1.695 1.00 8.96 C ATOM 850 O ARG A 54 -3.476 -8.356 -2.080 1.00 11.60 O ATOM 851 CB ARG A 54 -3.663 -10.820 -0.022 1.00 7.97 C ATOM 852 CG ARG A 54 -3.183 -12.233 0.315 1.00 9.62 C ATOM 853 CD ARG A 54 -4.194 -13.307 -0.090 1.00 12.20 C ATOM 854 NE ARG A 54 -3.525 -14.627 0.080 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.947 -15.863 -0.318 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.206 -16.119 -0.781 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.082 -16.887 -0.060 1.00 25.50 N ATOM 0 H ARG A 54 -1.834 -10.672 -1.619 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.676 -11.155 -1.942 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.932 -10.107 0.360 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.596 -10.636 0.511 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.236 -12.422 -0.190 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.993 -12.303 1.386 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.089 -13.246 0.529 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.512 -13.167 -1.123 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.626 -14.604 0.561 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.890 -15.365 -0.844 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.463 -17.065 -1.064 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.192 -16.699 0.400 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.326 -17.841 -0.328 1.00 25.50 H new ATOM 871 N THR A 55 -5.660 -8.825 -1.571 1.00 9.05 N ATOM 872 CA THR A 55 -6.273 -7.538 -1.688 1.00 9.03 C ATOM 873 C THR A 55 -6.419 -6.811 -0.395 1.00 8.15 C ATOM 874 O THR A 55 -6.241 -7.353 0.694 1.00 5.91 O ATOM 875 CB THR A 55 -7.585 -7.586 -2.412 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.628 -8.372 -1.854 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.333 -8.249 -3.776 1.00 11.71 C ATOM 0 H THR A 55 -6.348 -9.551 -1.370 1.00 9.05 H new ATOM 0 HA THR A 55 -5.569 -6.964 -2.291 1.00 9.03 H new ATOM 0 HB THR A 55 -7.917 -6.548 -2.400 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.423 -8.312 -2.424 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.268 -8.302 -4.333 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.608 -7.660 -4.338 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.944 -9.256 -3.625 1.00 11.71 H new ATOM 885 N LEU A 56 -6.855 -5.540 -0.455 1.00 6.91 N ATOM 886 CA LEU A 56 -7.438 -4.793 0.616 1.00 8.29 C ATOM 887 C LEU A 56 -8.543 -5.430 1.386 1.00 8.05 C ATOM 888 O LEU A 56 -8.598 -5.376 2.614 1.00 10.17 O ATOM 889 CB LEU A 56 -7.890 -3.364 0.270 1.00 6.60 C ATOM 890 CG LEU A 56 -6.814 -2.551 -0.471 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.391 -1.337 -1.218 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.661 -2.154 0.466 1.00 9.85 C ATOM 0 H LEU A 56 -6.795 -4.996 -1.316 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.557 -4.764 1.257 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.788 -3.413 -0.346 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.162 -2.843 1.188 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.403 -3.208 -1.237 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.585 -0.803 -1.721 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.118 -1.676 -1.956 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.879 -0.671 -0.507 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.920 -1.581 -0.091 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.049 -1.547 1.284 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.195 -3.053 0.871 1.00 9.85 H new ATOM 904 N SER A 57 -9.531 -6.044 0.709 1.00 8.92 N ATOM 905 CA SER A 57 -10.586 -6.865 1.215 1.00 9.00 C ATOM 906 C SER A 57 -10.199 -8.039 2.047 1.00 9.44 C ATOM 907 O SER A 57 -10.818 -8.250 3.088 1.00 10.91 O ATOM 908 CB SER A 57 -11.520 -7.253 0.056 1.00 10.32 C ATOM 909 OG SER A 57 -12.763 -7.766 0.511 1.00 13.59 O ATOM 0 H SER A 57 -9.593 -5.952 -0.305 1.00 8.92 H new ATOM 0 HA SER A 57 -11.106 -6.245 1.946 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.698 -6.380 -0.571 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.029 -7.999 -0.569 1.00 10.32 H new ATOM 0 HG SER A 57 -13.323 -7.997 -0.259 1.00 13.59 H new ATOM 915 N ASP A 58 -9.204 -8.825 1.599 1.00 9.11 N ATOM 916 CA ASP A 58 -8.583 -9.901 2.308 1.00 7.91 C ATOM 917 C ASP A 58 -8.223 -9.451 3.682 1.00 9.12 C ATOM 918 O ASP A 58 -8.746 -9.941 4.681 1.00 8.61 O ATOM 919 CB ASP A 58 -7.356 -10.388 1.518 1.00 8.41 C ATOM 920 CG ASP A 58 -7.708 -11.206 0.283 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.871 -11.678 0.176 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.817 -11.397 -0.587 1.00 10.05 O ATOM 0 H ASP A 58 -8.804 -8.697 0.670 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.271 -10.740 2.407 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.764 -9.524 1.214 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.728 -10.990 2.175 1.00 8.41 H new ATOM 927 N TYR A 59 -7.313 -8.471 3.828 1.00 7.97 N ATOM 928 CA TYR A 59 -6.937 -7.999 5.124 1.00 8.45 C ATOM 929 C TYR A 59 -7.943 -7.157 5.830 1.00 10.98 C ATOM 930 O TYR A 59 -7.576 -6.697 6.910 1.00 12.95 O ATOM 931 CB TYR A 59 -5.667 -7.139 5.009 1.00 7.94 C ATOM 932 CG TYR A 59 -4.571 -8.069 4.618 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.940 -8.832 5.573 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.993 -8.070 3.371 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.847 -9.577 5.196 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.922 -8.820 2.943 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.331 -9.585 3.921 1.00 6.76 C ATOM 938 OH TYR A 59 -1.254 -10.427 3.574 1.00 7.63 O ATOM 0 H TYR A 59 -6.840 -8.008 3.052 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.808 -8.911 5.707 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.795 -6.353 4.265 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.442 -6.648 5.956 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.294 -8.846 6.593 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.431 -7.404 2.642 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.367 -10.191 5.944 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.573 -8.809 1.921 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.475 -10.922 2.757 1.00 7.63 H new ATOM 948 N ASN A 60 -9.134 -6.986 5.228 1.00 12.38 N ATOM 949 CA ASN A 60 -10.283 -6.371 5.816 1.00 13.94 C ATOM 950 C ASN A 60 -10.088 -4.913 6.054 1.00 14.16 C ATOM 951 O ASN A 60 -10.237 -4.514 7.208 1.00 14.26 O ATOM 952 CB ASN A 60 -10.919 -7.315 6.850 1.00 19.23 C ATOM 953 CG ASN A 60 -12.306 -6.844 7.263 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.023 -6.316 6.415 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.741 -7.022 8.539 1.00 24.09 N ATOM 0 H ASN A 60 -9.304 -7.297 4.271 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.127 -6.265 5.134 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.985 -8.320 6.433 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.278 -7.376 7.730 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.676 -6.716 8.806 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.132 -7.462 9.229 1.00 24.09 H new ATOM 962 N ILE A 61 -9.708 -4.118 5.038 1.00 11.08 N ATOM 963 CA ILE A 61 -9.374 -2.729 5.109 1.00 11.78 C ATOM 964 C ILE A 61 -10.409 -1.881 4.454 1.00 13.74 C ATOM 965 O ILE A 61 -10.573 -1.966 3.238 1.00 14.60 O ATOM 966 CB ILE A 61 -7.995 -2.482 4.573 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.053 -3.386 5.386 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.608 -0.994 4.536 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.648 -3.388 4.784 1.00 11.42 C ATOM 0 H ILE A 61 -9.628 -4.479 4.087 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.363 -2.435 6.159 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.927 -2.745 3.517 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.010 -3.039 6.418 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.446 -4.403 5.407 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.599 -0.890 4.138 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.307 -0.452 3.899 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.644 -0.584 5.545 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.000 -4.034 5.376 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.692 -3.758 3.760 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.250 -2.373 4.787 1.00 11.42 H new ATOM 981 N GLN A 62 -11.236 -1.237 5.297 1.00 13.97 N ATOM 982 CA GLN A 62 -12.261 -0.270 5.056 1.00 15.52 C ATOM 983 C GLN A 62 -11.575 0.970 4.593 1.00 13.94 C ATOM 984 O GLN A 62 -10.354 1.072 4.695 1.00 12.15 O ATOM 985 CB GLN A 62 -13.063 0.020 6.336 1.00 19.53 C ATOM 986 CG GLN A 62 -12.214 0.756 7.374 1.00 26.38 C ATOM 987 CD GLN A 62 -13.028 0.870 8.655 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.231 0.612 8.667 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.417 1.206 9.822 1.00 32.71 N ATOM 0 H GLN A 62 -11.170 -1.429 6.297 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.967 -0.640 4.313 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.939 0.620 6.090 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.426 -0.917 6.759 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.286 0.215 7.559 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.939 1.745 7.008 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.420 1.423 9.832 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.955 1.241 10.688 1.00 32.71 H new ATOM 998 N LYS A 63 -12.325 1.959 4.076 1.00 11.73 N ATOM 999 CA LYS A 63 -11.843 3.261 3.735 1.00 11.97 C ATOM 1000 C LYS A 63 -11.224 4.027 4.853 1.00 10.41 C ATOM 1001 O LYS A 63 -11.519 3.726 6.009 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.881 4.148 3.026 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.219 4.400 3.724 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.330 5.816 4.294 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.436 6.008 5.334 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.319 7.391 5.848 1.00 25.97 N ATOM 0 H LYS A 63 -13.320 1.844 3.886 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.047 3.021 3.030 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.417 5.116 2.837 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.092 3.701 2.055 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.031 4.233 3.016 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.346 3.677 4.530 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -13.376 6.086 4.746 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.500 6.511 3.471 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.417 5.846 4.887 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.332 5.286 6.144 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -14.872 7.376 6.787 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -14.737 7.955 5.197 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.266 7.815 5.922 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.324 4.947 4.465 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.665 5.833 5.374 1.00 10.94 C ATOM 1022 C GLU A 64 -8.915 5.160 6.473 1.00 9.74 C ATOM 1023 O GLU A 64 -8.769 5.652 7.590 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.682 6.802 5.999 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.286 7.814 5.022 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.263 8.840 5.576 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.957 9.577 6.552 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.375 8.891 4.986 1.00 31.72 O ATOM 0 H GLU A 64 -10.046 5.079 3.492 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.927 6.358 4.768 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.490 6.222 6.445 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.195 7.345 6.809 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.465 8.354 4.550 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.796 7.257 4.236 1.00 24.16 H new ATOM 1035 N SER A 65 -8.235 4.071 6.075 1.00 6.85 N ATOM 1036 CA SER A 65 -7.324 3.301 6.865 1.00 6.90 C ATOM 1037 C SER A 65 -5.970 3.914 6.762 1.00 4.72 C ATOM 1038 O SER A 65 -5.579 4.213 5.635 1.00 3.91 O ATOM 1039 CB SER A 65 -7.202 1.783 6.649 1.00 7.28 C ATOM 1040 OG SER A 65 -8.361 1.102 7.107 1.00 10.56 O ATOM 0 H SER A 65 -8.330 3.701 5.129 1.00 6.85 H new ATOM 0 HA SER A 65 -7.780 3.349 7.854 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.050 1.575 5.590 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.325 1.408 7.176 1.00 7.28 H new ATOM 0 HG SER A 65 -9.018 1.051 6.382 1.00 10.56 H new ATOM 1046 N THR A 66 -5.319 4.220 7.899 1.00 4.48 N ATOM 1047 CA THR A 66 -3.914 4.465 7.799 1.00 3.80 C ATOM 1048 C THR A 66 -3.075 3.258 7.559 1.00 4.60 C ATOM 1049 O THR A 66 -3.125 2.329 8.363 1.00 5.33 O ATOM 1050 CB THR A 66 -3.495 5.141 9.071 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.312 6.204 9.540 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.157 5.807 8.710 1.00 3.40 C ATOM 0 H THR A 66 -5.731 4.295 8.829 1.00 4.48 H new ATOM 0 HA THR A 66 -3.751 5.084 6.917 1.00 3.80 H new ATOM 0 HB THR A 66 -3.511 4.382 9.853 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.938 6.561 10.373 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.765 6.332 9.581 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.445 5.045 8.395 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.312 6.517 7.898 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.233 3.323 6.512 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.077 2.500 6.336 1.00 3.85 C ATOM 1062 C LEU A 67 0.182 3.295 6.383 1.00 3.80 C ATOM 1063 O LEU A 67 0.298 4.519 6.410 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.993 1.662 5.049 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.311 0.988 4.632 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.382 0.433 3.200 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.652 -0.175 5.578 1.00 8.12 C ATOM 0 H LEU A 67 -2.366 3.985 5.748 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.189 1.809 7.171 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.656 2.304 4.235 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.233 0.892 5.182 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.024 1.810 4.686 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.361 -0.016 3.032 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.227 1.243 2.488 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.608 -0.323 3.064 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.588 -0.637 5.264 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.853 -0.916 5.546 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.757 0.202 6.595 1.00 8.12 H new ATOM 1079 N HIS A 68 1.269 2.520 6.546 1.00 2.94 N ATOM 1080 CA HIS A 68 2.593 3.012 6.771 1.00 4.17 C ATOM 1081 C HIS A 68 3.376 2.469 5.624 1.00 5.32 C ATOM 1082 O HIS A 68 3.310 1.272 5.350 1.00 7.70 O ATOM 1083 CB HIS A 68 3.184 2.582 8.124 1.00 5.57 C ATOM 1084 CG HIS A 68 2.167 3.014 9.138 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.628 4.261 9.381 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.563 2.132 9.979 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.611 4.081 10.266 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.571 2.819 10.649 1.00 16.30 N ATOM 0 H HIS A 68 1.222 1.501 6.520 1.00 2.94 H new ATOM 0 HA HIS A 68 2.611 4.101 6.822 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.347 1.505 8.161 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.149 3.057 8.304 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.813 1.088 10.100 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.062 4.855 10.604 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.081 2.420 11.324 1.00 16.30 H new ATOM 1096 N LEU A 69 3.967 3.408 4.865 1.00 5.29 N ATOM 1097 CA LEU A 69 4.873 3.079 3.809 1.00 3.97 C ATOM 1098 C LEU A 69 6.224 3.081 4.437 1.00 5.07 C ATOM 1099 O LEU A 69 6.776 4.101 4.846 1.00 4.34 O ATOM 1100 CB LEU A 69 4.885 4.116 2.673 1.00 6.08 C ATOM 1101 CG LEU A 69 5.641 3.786 1.375 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.811 2.920 0.412 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.136 5.020 0.601 1.00 6.87 C ATOM 0 H LEU A 69 3.814 4.409 4.985 1.00 5.29 H new ATOM 0 HA LEU A 69 4.578 2.128 3.366 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.849 4.326 2.407 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.304 5.039 3.073 1.00 6.08 H new ATOM 0 HG LEU A 69 6.511 3.230 1.725 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.392 2.717 -0.487 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.554 1.979 0.898 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.897 3.450 0.142 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.658 4.699 -0.300 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.285 5.642 0.325 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.817 5.595 1.229 1.00 6.87 H new ATOM 1115 N VAL A 70 6.790 1.869 4.585 1.00 4.29 N ATOM 1116 CA VAL A 70 8.157 1.661 4.949 1.00 6.26 C ATOM 1117 C VAL A 70 8.920 1.438 3.689 1.00 9.22 C ATOM 1118 O VAL A 70 8.501 0.875 2.679 1.00 9.36 O ATOM 1119 CB VAL A 70 8.231 0.478 5.867 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.662 0.410 6.425 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.324 0.630 7.100 1.00 8.54 C ATOM 0 H VAL A 70 6.274 1.000 4.445 1.00 4.29 H new ATOM 0 HA VAL A 70 8.582 2.516 5.475 1.00 6.26 H new ATOM 0 HB VAL A 70 7.928 -0.398 5.294 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.750 -0.442 7.099 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.368 0.297 5.603 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.884 1.327 6.970 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.416 -0.254 7.731 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.624 1.512 7.666 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.288 0.740 6.778 1.00 8.54 H new ATOM 1131 N LEU A 71 10.171 1.928 3.628 1.00 12.71 N ATOM 1132 CA LEU A 71 11.037 1.823 2.494 1.00 16.06 C ATOM 1133 C LEU A 71 12.240 1.001 2.805 1.00 18.09 C ATOM 1134 O LEU A 71 13.049 1.236 3.702 1.00 19.26 O ATOM 1135 CB LEU A 71 11.475 3.134 1.819 1.00 17.10 C ATOM 1136 CG LEU A 71 10.282 3.945 1.286 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.773 5.215 0.571 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.483 3.120 0.263 1.00 17.51 C ATOM 0 H LEU A 71 10.600 2.423 4.410 1.00 12.71 H new ATOM 0 HA LEU A 71 10.400 1.334 1.758 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.032 3.739 2.534 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.153 2.907 0.997 1.00 17.10 H new ATOM 0 HG LEU A 71 9.655 4.204 2.139 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.916 5.778 0.200 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.337 5.832 1.271 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.414 4.937 -0.265 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.643 3.710 -0.103 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.130 2.852 -0.572 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.110 2.213 0.739 1.00 17.51 H new ATOM 1150 N ARG A 72 12.318 -0.137 2.092 1.00 21.47 N ATOM 1151 CA ARG A 72 13.372 -1.081 2.299 1.00 25.83 C ATOM 1152 C ARG A 72 14.079 -1.248 0.998 1.00 27.74 C ATOM 1153 O ARG A 72 13.842 -0.543 0.018 1.00 30.65 O ATOM 1154 CB ARG A 72 12.886 -2.440 2.830 1.00 28.49 C ATOM 1155 CG ARG A 72 11.767 -3.069 1.996 1.00 31.79 C ATOM 1156 CD ARG A 72 11.564 -4.526 2.415 1.00 34.05 C ATOM 1157 NE ARG A 72 10.292 -4.880 1.725 1.00 35.08 N ATOM 1158 CZ ARG A 72 9.534 -5.935 2.144 1.00 34.67 C ATOM 1159 NH1 ARG A 72 10.007 -6.847 3.043 1.00 35.02 N ATOM 1160 NH2 ARG A 72 8.282 -6.170 1.655 1.00 34.97 N ATOM 0 H ARG A 72 11.649 -0.404 1.370 1.00 21.47 H new ATOM 0 HA ARG A 72 14.037 -0.695 3.072 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.730 -3.128 2.865 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.535 -2.314 3.854 1.00 28.49 H new ATOM 0 HG2 ARG A 72 10.841 -2.510 2.132 1.00 31.79 H new ATOM 0 HG3 ARG A 72 12.018 -3.017 0.937 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.391 -5.160 2.095 1.00 34.05 H new ATOM 0 HD3 ARG A 72 11.483 -4.631 3.497 1.00 34.05 H new ATOM 0 HE ARG A 72 9.983 -4.325 0.927 1.00 35.08 H new ATOM 0 HH11 ARG A 72 10.950 -6.750 3.420 1.00 35.02 H new ATOM 0 HH12 ARG A 72 9.418 -7.625 3.338 1.00 35.02 H new ATOM 0 HH21 ARG A 72 7.884 -5.547 0.953 1.00 34.97 H new ATOM 0 HH22 ARG A 72 7.745 -6.969 1.992 1.00 34.97 H new ATOM 1174 N LEU A 73 15.101 -2.121 0.954 1.00 28.93 N ATOM 1175 CA LEU A 73 15.616 -2.574 -0.301 1.00 30.76 C ATOM 1176 C LEU A 73 15.140 -3.983 -0.391 1.00 32.18 C ATOM 1177 O LEU A 73 14.634 -4.631 0.523 1.00 32.31 O ATOM 1178 CB LEU A 73 17.153 -2.561 -0.349 1.00 30.53 C ATOM 1179 CG LEU A 73 17.702 -1.169 0.005 1.00 30.16 C ATOM 1180 CD1 LEU A 73 19.164 -1.365 0.442 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.555 -0.149 -1.137 1.00 29.57 C ATOM 0 H LEU A 73 15.566 -2.509 1.775 1.00 28.93 H new ATOM 0 HA LEU A 73 15.284 -1.931 -1.116 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.549 -3.300 0.348 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.492 -2.848 -1.345 1.00 30.53 H new ATOM 0 HG LEU A 73 17.116 -0.734 0.815 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.598 -0.400 0.704 1.00 29.11 H new ATOM 0 HD12 LEU A 73 19.199 -2.026 1.308 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.732 -1.808 -0.376 1.00 29.11 H new ATOM 0 HD21 LEU A 73 17.962 0.812 -0.821 1.00 29.57 H new ATOM 0 HD22 LEU A 73 18.098 -0.503 -2.013 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.500 -0.032 -1.387 1.00 29.57 H new ATOM 1193 N ARG A 74 15.384 -4.528 -1.596 1.00 33.82 N ATOM 1194 CA ARG A 74 14.875 -5.825 -1.915 1.00 35.33 C ATOM 1195 C ARG A 74 15.663 -6.905 -1.257 1.00 36.22 C ATOM 1196 O ARG A 74 16.892 -6.923 -1.226 1.00 36.70 O ATOM 1197 CB ARG A 74 15.011 -5.987 -3.439 1.00 36.91 C ATOM 1198 CG ARG A 74 14.496 -7.318 -3.990 1.00 38.62 C ATOM 1199 CD ARG A 74 14.238 -7.097 -5.482 1.00 39.75 C ATOM 1200 NE ARG A 74 13.225 -8.072 -5.976 1.00 41.13 N ATOM 1201 CZ ARG A 74 12.399 -7.699 -6.997 1.00 41.91 C ATOM 1202 NH1 ARG A 74 12.431 -6.487 -7.624 1.00 42.75 N ATOM 1203 NH2 ARG A 74 11.449 -8.604 -7.373 1.00 41.93 N ATOM 0 H ARG A 74 15.923 -4.081 -2.337 1.00 33.82 H new ATOM 0 HA ARG A 74 13.844 -5.907 -1.570 1.00 35.33 H new ATOM 0 HB2 ARG A 74 14.472 -5.175 -3.926 1.00 36.91 H new ATOM 0 HB3 ARG A 74 16.061 -5.880 -3.710 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.227 -8.111 -3.836 1.00 38.62 H new ATOM 0 HG3 ARG A 74 13.583 -7.623 -3.479 1.00 38.62 H new ATOM 0 HD2 ARG A 74 13.887 -6.079 -5.652 1.00 39.75 H new ATOM 0 HD3 ARG A 74 15.167 -7.211 -6.041 1.00 39.75 H new ATOM 0 HE ARG A 74 13.150 -9.000 -5.559 1.00 41.13 H new ATOM 0 HH11 ARG A 74 13.109 -5.781 -7.336 1.00 42.75 H new ATOM 0 HH12 ARG A 74 11.777 -6.287 -8.381 1.00 42.75 H new ATOM 0 HH21 ARG A 74 11.385 -9.504 -6.897 1.00 41.93 H new ATOM 0 HH22 ARG A 74 10.803 -8.381 -8.130 1.00 41.93 H new ATOM 1217 N GLY A 75 14.930 -7.907 -0.739 1.00 36.31 N ATOM 1218 CA GLY A 75 15.628 -8.966 -0.078 1.00 36.07 C ATOM 1219 C GLY A 75 14.597 -9.915 0.427 1.00 36.16 C ATOM 1220 O GLY A 75 13.915 -10.596 -0.337 1.00 36.26 O ATOM 0 H GLY A 75 13.914 -7.986 -0.772 1.00 36.31 H new ATOM 0 HA2 GLY A 75 16.310 -9.467 -0.765 1.00 36.07 H new ATOM 0 HA3 GLY A 75 16.231 -8.578 0.743 1.00 36.07 H new ATOM 1224 N GLY A 76 14.529 -10.150 1.750 1.00 36.05 N ATOM 1225 CA GLY A 76 13.822 -11.216 2.389 1.00 36.19 C ATOM 1226 C GLY A 76 12.742 -10.614 3.277 1.00 36.20 C ATOM 1227 O GLY A 76 13.261 -9.729 4.009 1.00 36.13 O ATOM 1228 OXT GLY A 76 11.563 -11.046 3.380 1.00 36.27 O ATOM 0 H GLY A 76 15.005 -9.548 2.422 1.00 36.05 H new ATOM 0 HA2 GLY A 76 13.376 -11.875 1.644 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.506 -11.822 2.983 1.00 36.19 H new TER 1232 GLY A 76