USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 1 MET CE :methyl -164:sc= -0.0162 (180deg=-0.302) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.36 (180deg=2.26) USER MOD Single : A 2 GLN : amide:sc= 0.375 X(o=0.37,f=-0.023) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 11 LYS NZ :NH3+ -104:sc= 0.971 (180deg=-1.08!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= 1.43 (180deg=0.95) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.308 (180deg=0.305) USER MOD Single : A 31 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 0.146 K(o=0.15,f=-3.1) 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 -47:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.505 USER MOD Single : A 60 ASN : amide:sc= -0.069 X(o=-0.069,f=-0.38) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 1.32 (180deg=1.13) USER MOD Single : A 65 SER OG : rot -127:sc= 0.397 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.263 -7.148 -5.407 1.00 9.67 N ATOM 2 CA MET A 1 11.333 -7.872 -4.057 1.00 10.38 C ATOM 3 C MET A 1 9.940 -8.050 -3.457 1.00 9.62 C ATOM 4 O MET A 1 9.004 -7.443 -3.936 1.00 9.62 O ATOM 5 CB MET A 1 12.304 -7.223 -2.994 1.00 13.77 C ATOM 6 CG MET A 1 12.058 -5.705 -2.712 1.00 16.29 C ATOM 7 SD MET A 1 10.630 -5.266 -1.702 1.00 17.17 S ATOM 8 CE MET A 1 11.039 -3.492 -1.679 1.00 16.11 C ATOM 0 H1 MET A 1 12.215 -6.830 -5.680 1.00 9.67 H new ATOM 0 H2 MET A 1 10.895 -7.798 -6.131 1.00 9.67 H new ATOM 0 H3 MET A 1 10.632 -6.325 -5.327 1.00 9.67 H new ATOM 0 HA MET A 1 11.768 -8.843 -4.292 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.210 -7.771 -2.056 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.331 -7.351 -3.336 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.948 -5.304 -2.228 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.961 -5.196 -3.671 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.476 -2.999 -0.886 1.00 16.11 H new ATOM 0 HE2 MET A 1 12.107 -3.367 -1.498 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.779 -3.046 -2.639 1.00 16.11 H new ATOM 20 N GLN A 2 9.761 -8.854 -2.371 1.00 9.27 N ATOM 21 CA GLN A 2 8.450 -9.070 -1.753 1.00 9.07 C ATOM 22 C GLN A 2 8.185 -8.069 -0.596 1.00 8.72 C ATOM 23 O GLN A 2 9.109 -7.641 0.083 1.00 8.22 O ATOM 24 CB GLN A 2 8.371 -10.458 -1.092 1.00 14.46 C ATOM 25 CG GLN A 2 8.564 -11.622 -1.970 1.00 17.01 C ATOM 26 CD GLN A 2 7.275 -11.871 -2.844 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.456 -12.697 -2.406 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.177 -11.335 -4.032 1.00 19.49 N ATOM 0 H GLN A 2 10.521 -9.359 -1.915 1.00 9.27 H new ATOM 0 HA GLN A 2 7.728 -8.952 -2.561 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.120 -10.501 -0.301 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.396 -10.551 -0.613 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.425 -11.458 -2.618 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.781 -12.506 -1.370 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.875 -10.661 -4.347 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.402 -11.591 -4.645 1.00 19.49 H new ATOM 37 N ILE A 3 6.913 -7.571 -0.452 1.00 5.87 N ATOM 38 CA ILE A 3 6.438 -6.794 0.758 1.00 5.07 C ATOM 39 C ILE A 3 4.988 -7.253 1.148 1.00 4.01 C ATOM 40 O ILE A 3 4.274 -7.859 0.327 1.00 4.61 O ATOM 41 CB ILE A 3 6.509 -5.255 0.817 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.508 -4.701 -0.249 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.969 -4.779 0.636 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.475 -3.140 -0.216 1.00 10.83 C ATOM 0 H ILE A 3 6.190 -7.693 -1.161 1.00 5.87 H new ATOM 0 HA ILE A 3 7.220 -7.061 1.469 1.00 5.07 H new ATOM 0 HB ILE A 3 6.209 -4.865 1.789 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.800 -5.043 -1.242 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.510 -5.095 -0.057 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.005 -3.690 0.680 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.588 -5.195 1.431 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.344 -5.116 -0.330 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.772 -2.775 -0.965 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.160 -2.804 0.772 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.470 -2.750 -0.431 1.00 10.83 H new ATOM 56 N PHE A 4 4.591 -7.048 2.388 1.00 4.55 N ATOM 57 CA PHE A 4 3.305 -7.495 2.944 1.00 4.68 C ATOM 58 C PHE A 4 2.367 -6.384 3.194 1.00 5.30 C ATOM 59 O PHE A 4 2.832 -5.334 3.627 1.00 5.58 O ATOM 60 CB PHE A 4 3.451 -8.178 4.379 1.00 4.83 C ATOM 61 CG PHE A 4 4.531 -9.182 4.398 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.479 -10.222 3.478 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.608 -9.048 5.296 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.547 -11.125 3.431 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.669 -9.990 5.250 1.00 10.61 C ATOM 66 CZ PHE A 4 6.659 -11.019 4.297 1.00 8.90 C ATOM 0 H PHE A 4 5.165 -6.550 3.068 1.00 4.55 H new ATOM 0 HA PHE A 4 2.942 -8.187 2.184 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.653 -7.412 5.128 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.509 -8.652 4.654 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.634 -10.331 2.815 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.626 -8.239 6.011 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.521 -11.929 2.710 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.487 -9.914 5.951 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.482 -11.715 4.226 1.00 8.90 H new ATOM 76 N VAL A 5 1.051 -6.527 2.926 1.00 4.44 N ATOM 77 CA VAL A 5 0.031 -5.570 3.167 1.00 3.87 C ATOM 78 C VAL A 5 -0.955 -6.309 4.006 1.00 4.93 C ATOM 79 O VAL A 5 -1.600 -7.351 3.623 1.00 6.84 O ATOM 80 CB VAL A 5 -0.706 -5.031 1.943 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.033 -4.212 2.183 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.192 -4.259 1.027 1.00 9.13 C ATOM 0 H VAL A 5 0.683 -7.382 2.509 1.00 4.44 H new ATOM 0 HA VAL A 5 0.491 -4.686 3.609 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.035 -5.960 1.477 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.443 -3.895 1.224 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.760 -4.840 2.699 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.814 -3.335 2.792 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.382 -3.898 0.173 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.616 -3.410 1.564 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.996 -4.905 0.676 1.00 9.13 H new ATOM 92 N LYS A 6 -1.182 -5.930 5.271 1.00 6.04 N ATOM 93 CA LYS A 6 -2.273 -6.509 6.039 1.00 6.12 C ATOM 94 C LYS A 6 -3.543 -5.753 5.825 1.00 6.57 C ATOM 95 O LYS A 6 -3.550 -4.485 5.786 1.00 5.76 O ATOM 96 CB LYS A 6 -1.794 -6.530 7.538 1.00 7.45 C ATOM 97 CG LYS A 6 -0.645 -7.476 7.848 1.00 11.12 C ATOM 98 CD LYS A 6 -0.364 -7.617 9.373 1.00 14.54 C ATOM 99 CE LYS A 6 -1.380 -8.575 10.097 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.191 -8.605 11.565 1.00 20.55 N ATOM 0 H LYS A 6 -0.629 -5.234 5.771 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.506 -7.525 5.719 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.495 -5.520 7.819 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.642 -6.799 8.168 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.870 -8.459 7.434 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.256 -7.119 7.350 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.649 -7.994 9.517 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.407 -6.632 9.838 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.398 -8.255 9.872 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.268 -9.584 9.700 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.886 -9.251 11.991 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.230 -8.936 11.785 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.325 -7.649 11.952 1.00 20.55 H new ATOM 114 N THR A 7 -4.623 -6.523 5.681 1.00 7.41 N ATOM 115 CA THR A 7 -5.943 -5.968 5.549 1.00 7.48 C ATOM 116 C THR A 7 -6.844 -6.274 6.714 1.00 8.75 C ATOM 117 O THR A 7 -6.503 -7.089 7.581 1.00 8.58 O ATOM 118 CB THR A 7 -6.713 -6.325 4.236 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.976 -5.708 3.995 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.811 -7.887 4.067 1.00 9.17 C ATOM 0 H THR A 7 -4.593 -7.542 5.654 1.00 7.41 H new ATOM 0 HA THR A 7 -5.717 -4.902 5.515 1.00 7.48 H new ATOM 0 HB THR A 7 -6.090 -5.872 3.465 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.337 -6.024 3.140 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.350 -8.121 3.149 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.808 -8.311 4.017 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.343 -8.312 4.918 1.00 9.17 H new ATOM 128 N LEU A 8 -7.999 -5.525 6.951 1.00 9.84 N ATOM 129 CA LEU A 8 -8.582 -5.547 8.255 1.00 14.15 C ATOM 130 C LEU A 8 -9.410 -6.792 8.512 1.00 17.37 C ATOM 131 O LEU A 8 -10.219 -6.835 9.445 1.00 17.01 O ATOM 132 CB LEU A 8 -9.624 -4.368 8.342 1.00 16.63 C ATOM 133 CG LEU A 8 -8.923 -2.961 8.498 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.962 -1.857 8.792 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.898 -2.966 9.612 1.00 18.59 C ATOM 0 H LEU A 8 -8.479 -4.947 6.261 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.757 -5.488 8.965 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.243 -4.366 7.445 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.290 -4.536 9.188 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.421 -2.756 7.552 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.454 -0.898 8.895 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.677 -1.803 7.971 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.489 -2.090 9.717 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.438 -1.981 9.688 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.387 -3.212 10.555 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.130 -3.709 9.397 1.00 18.59 H new ATOM 147 N THR A 9 -9.277 -7.891 7.751 1.00 18.33 N ATOM 148 CA THR A 9 -9.974 -9.161 7.996 1.00 19.24 C ATOM 149 C THR A 9 -8.998 -10.145 8.602 1.00 19.48 C ATOM 150 O THR A 9 -9.361 -11.259 8.919 1.00 23.14 O ATOM 151 CB THR A 9 -10.362 -9.787 6.665 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.239 -9.700 5.793 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.477 -8.949 6.006 1.00 19.70 C ATOM 0 H THR A 9 -8.669 -7.920 6.932 1.00 18.33 H new ATOM 0 HA THR A 9 -10.835 -8.964 8.635 1.00 19.24 H new ATOM 0 HB THR A 9 -10.686 -10.814 6.831 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.465 -10.100 4.927 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.754 -9.398 5.052 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.348 -8.922 6.661 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.118 -7.934 5.838 1.00 19.70 H new ATOM 161 N GLY A 10 -7.734 -9.708 8.835 1.00 19.43 N ATOM 162 CA GLY A 10 -6.572 -10.432 9.431 1.00 18.74 C ATOM 163 C GLY A 10 -5.831 -11.251 8.520 1.00 17.62 C ATOM 164 O GLY A 10 -4.982 -12.031 8.880 1.00 19.74 O ATOM 0 H GLY A 10 -7.474 -8.753 8.589 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.894 -9.700 9.869 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.934 -11.059 10.246 1.00 18.74 H new ATOM 168 N LYS A 11 -6.214 -11.152 7.242 1.00 13.56 N ATOM 169 CA LYS A 11 -5.548 -11.733 6.071 1.00 11.91 C ATOM 170 C LYS A 11 -4.423 -10.775 5.711 1.00 10.18 C ATOM 171 O LYS A 11 -4.639 -9.541 5.668 1.00 9.10 O ATOM 172 CB LYS A 11 -6.513 -11.898 4.855 1.00 13.43 C ATOM 173 CG LYS A 11 -5.837 -12.574 3.650 1.00 16.69 C ATOM 174 CD LYS A 11 -6.855 -12.787 2.457 1.00 17.92 C ATOM 175 CE LYS A 11 -6.921 -11.574 1.553 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.769 -11.871 0.384 1.00 21.93 N ATOM 0 H LYS A 11 -7.051 -10.631 6.982 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.187 -12.734 6.307 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.378 -12.488 5.160 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.885 -10.918 4.556 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.000 -11.963 3.311 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.426 -13.536 3.955 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.556 -13.659 1.875 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.847 -12.996 2.858 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.325 -10.722 2.100 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.919 -11.297 1.226 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.168 -12.034 -0.449 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.336 -12.722 0.574 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.402 -11.067 0.201 1.00 21.93 H new ATOM 190 N THR A 12 -3.235 -11.367 5.341 1.00 9.63 N ATOM 191 CA THR A 12 -2.043 -10.710 4.925 1.00 9.85 C ATOM 192 C THR A 12 -2.060 -10.903 3.388 1.00 11.66 C ATOM 193 O THR A 12 -2.216 -12.000 2.876 1.00 12.33 O ATOM 194 CB THR A 12 -0.715 -11.231 5.395 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.772 -11.410 6.821 1.00 10.91 O ATOM 196 CG2 THR A 12 0.414 -10.277 5.094 1.00 9.63 C ATOM 0 H THR A 12 -3.128 -12.381 5.342 1.00 9.63 H new ATOM 0 HA THR A 12 -2.081 -9.704 5.342 1.00 9.85 H new ATOM 0 HB THR A 12 -0.523 -12.167 4.871 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.088 -11.752 7.142 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.353 -10.699 5.453 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.477 -10.116 4.018 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.229 -9.326 5.593 1.00 9.63 H new ATOM 204 N ILE A 13 -1.971 -9.756 2.640 1.00 10.42 N ATOM 205 CA ILE A 13 -1.675 -9.806 1.217 1.00 11.84 C ATOM 206 C ILE A 13 -0.131 -9.722 1.007 1.00 10.55 C ATOM 207 O ILE A 13 0.561 -8.979 1.697 1.00 11.92 O ATOM 208 CB ILE A 13 -2.354 -8.667 0.530 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.866 -8.612 0.814 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.005 -8.645 -0.984 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.447 -7.315 0.249 1.00 16.46 C ATOM 0 H ILE A 13 -2.101 -8.816 3.014 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.040 -10.742 0.795 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.962 -7.744 0.957 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.362 -9.471 0.363 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.047 -8.666 1.888 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.512 -7.807 -1.462 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.927 -8.536 -1.107 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.331 -9.577 -1.446 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.517 -7.278 0.451 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.959 -6.462 0.720 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.279 -7.280 -0.827 1.00 16.46 H new ATOM 223 N THR A 14 0.492 -10.525 0.081 1.00 9.39 N ATOM 224 CA THR A 14 1.924 -10.434 -0.267 1.00 9.63 C ATOM 225 C THR A 14 2.027 -9.951 -1.651 1.00 11.20 C ATOM 226 O THR A 14 1.450 -10.538 -2.550 1.00 11.63 O ATOM 227 CB THR A 14 2.658 -11.748 -0.111 1.00 10.38 C ATOM 228 OG1 THR A 14 2.563 -12.249 1.205 1.00 16.30 O ATOM 229 CG2 THR A 14 4.197 -11.592 -0.417 1.00 11.66 C ATOM 0 H THR A 14 -0.002 -11.251 -0.438 1.00 9.39 H new ATOM 0 HA THR A 14 2.401 -9.742 0.427 1.00 9.63 H new ATOM 0 HB THR A 14 2.186 -12.430 -0.818 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.047 -13.099 1.267 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.692 -12.556 -0.295 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.331 -11.243 -1.441 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.634 -10.870 0.273 1.00 11.66 H new ATOM 237 N LEU A 15 2.801 -8.878 -1.873 1.00 8.29 N ATOM 238 CA LEU A 15 3.050 -8.196 -3.146 1.00 9.03 C ATOM 239 C LEU A 15 4.565 -8.244 -3.620 1.00 8.59 C ATOM 240 O LEU A 15 5.503 -8.061 -2.808 1.00 7.79 O ATOM 241 CB LEU A 15 2.633 -6.730 -3.036 1.00 11.08 C ATOM 242 CG LEU A 15 1.225 -6.423 -2.504 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.901 -4.907 -2.410 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.258 -7.097 -3.408 1.00 15.27 C ATOM 0 H LEU A 15 3.306 -8.433 -1.107 1.00 8.29 H new ATOM 0 HA LEU A 15 2.459 -8.732 -3.888 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.352 -6.225 -2.391 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.722 -6.281 -4.025 1.00 11.08 H new ATOM 0 HG LEU A 15 1.160 -6.792 -1.480 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.110 -4.774 -2.026 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.610 -4.424 -1.738 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.975 -4.457 -3.400 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.758 -6.903 -3.064 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.378 -6.712 -4.421 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.444 -8.171 -3.404 1.00 15.27 H new ATOM 256 N GLU A 16 4.790 -8.430 -4.933 1.00 11.04 N ATOM 257 CA GLU A 16 6.066 -8.241 -5.529 1.00 11.50 C ATOM 258 C GLU A 16 6.123 -6.753 -5.922 1.00 10.13 C ATOM 259 O GLU A 16 5.210 -6.165 -6.499 1.00 9.83 O ATOM 260 CB GLU A 16 6.118 -9.134 -6.738 1.00 17.22 C ATOM 261 CG GLU A 16 7.382 -8.885 -7.617 1.00 23.33 C ATOM 262 CD GLU A 16 8.700 -9.111 -6.881 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.887 -10.067 -6.043 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.605 -8.314 -7.181 1.00 28.90 O ATOM 0 H GLU A 16 4.066 -8.718 -5.591 1.00 11.04 H new ATOM 0 HA GLU A 16 6.906 -8.484 -4.879 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.104 -10.175 -6.416 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.224 -8.975 -7.341 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.344 -9.543 -8.485 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.357 -7.862 -7.991 1.00 23.33 H new ATOM 271 N VAL A 17 7.262 -6.012 -5.634 1.00 8.99 N ATOM 272 CA VAL A 17 7.428 -4.597 -5.820 1.00 8.85 C ATOM 273 C VAL A 17 8.873 -4.224 -6.036 1.00 8.04 C ATOM 274 O VAL A 17 9.755 -4.875 -5.556 1.00 8.99 O ATOM 275 CB VAL A 17 6.954 -3.746 -4.586 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.441 -3.826 -4.575 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.439 -4.332 -3.275 1.00 10.54 C ATOM 0 H VAL A 17 8.100 -6.450 -5.251 1.00 8.99 H new ATOM 0 HA VAL A 17 6.815 -4.375 -6.693 1.00 8.85 H new ATOM 0 HB VAL A 17 7.344 -2.732 -4.676 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.052 -3.250 -3.735 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.048 -3.419 -5.507 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.132 -4.867 -4.476 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.089 -3.713 -2.448 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.048 -5.343 -3.162 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.529 -4.361 -3.271 1.00 10.54 H new ATOM 287 N GLU A 18 9.099 -3.165 -6.853 1.00 7.29 N ATOM 288 CA GLU A 18 10.458 -2.499 -6.858 1.00 7.08 C ATOM 289 C GLU A 18 10.541 -1.352 -5.815 1.00 6.45 C ATOM 290 O GLU A 18 9.509 -0.669 -5.619 1.00 5.28 O ATOM 291 CB GLU A 18 10.906 -2.053 -8.286 1.00 10.28 C ATOM 292 CG GLU A 18 10.494 -3.061 -9.453 1.00 12.65 C ATOM 293 CD GLU A 18 11.217 -2.750 -10.753 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.229 -1.624 -11.340 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.950 -3.692 -11.164 1.00 14.33 O ATOM 0 H GLU A 18 8.412 -2.760 -7.489 1.00 7.29 H new ATOM 0 HA GLU A 18 11.180 -3.255 -6.548 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.475 -1.075 -8.499 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.989 -1.933 -8.292 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.721 -4.082 -9.147 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.417 -3.008 -9.615 1.00 12.65 H new ATOM 302 N PRO A 19 11.626 -1.056 -5.175 1.00 7.24 N ATOM 303 CA PRO A 19 11.820 0.135 -4.372 1.00 7.07 C ATOM 304 C PRO A 19 11.497 1.415 -5.116 1.00 6.65 C ATOM 305 O PRO A 19 11.079 2.414 -4.517 1.00 6.37 O ATOM 306 CB PRO A 19 13.294 0.067 -4.067 1.00 7.61 C ATOM 307 CG PRO A 19 13.570 -1.426 -3.837 1.00 8.16 C ATOM 308 CD PRO A 19 12.668 -2.085 -4.881 1.00 7.49 C ATOM 0 HA PRO A 19 11.167 0.158 -3.500 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.889 0.458 -4.893 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.545 0.657 -3.186 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.620 -1.674 -3.991 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.314 -1.736 -2.824 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.227 -2.352 -5.778 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.223 -3.003 -4.498 1.00 7.49 H new ATOM 316 N SER A 20 11.604 1.448 -6.460 1.00 6.80 N ATOM 317 CA SER A 20 11.401 2.619 -7.277 1.00 6.28 C ATOM 318 C SER A 20 9.984 2.571 -7.862 1.00 8.45 C ATOM 319 O SER A 20 9.611 3.402 -8.643 1.00 7.26 O ATOM 320 CB SER A 20 12.354 2.694 -8.539 1.00 8.57 C ATOM 321 OG SER A 20 13.733 2.390 -8.280 1.00 11.13 O ATOM 0 H SER A 20 11.843 0.621 -7.007 1.00 6.80 H new ATOM 0 HA SER A 20 11.595 3.469 -6.623 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.982 2.005 -9.297 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.292 3.697 -8.962 1.00 8.57 H new ATOM 0 HG SER A 20 14.245 2.459 -9.113 1.00 11.13 H new ATOM 327 N ASP A 21 9.093 1.652 -7.490 1.00 7.50 N ATOM 328 CA ASP A 21 7.700 1.621 -7.794 1.00 7.70 C ATOM 329 C ASP A 21 7.044 2.666 -6.898 1.00 7.08 C ATOM 330 O ASP A 21 7.453 2.903 -5.721 1.00 8.11 O ATOM 331 CB ASP A 21 7.141 0.197 -7.633 1.00 11.00 C ATOM 332 CG ASP A 21 7.536 -0.837 -8.737 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.224 -0.455 -9.678 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.120 -1.996 -8.673 1.00 14.36 O ATOM 0 H ASP A 21 9.371 0.852 -6.921 1.00 7.50 H new ATOM 0 HA ASP A 21 7.490 1.872 -8.834 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.469 -0.191 -6.669 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.053 0.260 -7.598 1.00 11.00 H new ATOM 339 N THR A 22 5.937 3.269 -7.368 1.00 5.37 N ATOM 340 CA THR A 22 5.194 4.285 -6.597 1.00 6.01 C ATOM 341 C THR A 22 4.104 3.683 -5.667 1.00 8.01 C ATOM 342 O THR A 22 3.800 2.479 -5.661 1.00 8.11 O ATOM 343 CB THR A 22 4.421 5.235 -7.486 1.00 8.92 C ATOM 344 OG1 THR A 22 3.520 4.585 -8.399 1.00 10.22 O ATOM 345 CG2 THR A 22 5.412 6.002 -8.384 1.00 9.65 C ATOM 0 H THR A 22 5.535 3.069 -8.284 1.00 5.37 H new ATOM 0 HA THR A 22 5.981 4.782 -6.029 1.00 6.01 H new ATOM 0 HB THR A 22 3.850 5.865 -6.804 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.056 5.260 -8.937 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.863 6.689 -9.028 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.107 6.565 -7.761 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.968 5.295 -8.999 1.00 9.65 H new ATOM 353 N ILE A 23 3.488 4.457 -4.778 1.00 8.32 N ATOM 354 CA ILE A 23 2.487 3.946 -3.790 1.00 9.92 C ATOM 355 C ILE A 23 1.191 3.702 -4.555 1.00 10.01 C ATOM 356 O ILE A 23 0.356 2.864 -4.207 1.00 8.71 O ATOM 357 CB ILE A 23 2.292 4.919 -2.628 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.533 5.552 -2.051 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.387 4.264 -1.587 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.539 4.589 -1.517 1.00 12.30 C ATOM 0 H ILE A 23 3.655 5.461 -4.706 1.00 8.32 H new ATOM 0 HA ILE A 23 2.837 3.019 -3.335 1.00 9.92 H new ATOM 0 HB ILE A 23 1.803 5.801 -3.043 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.006 6.159 -2.823 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.239 6.229 -1.249 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.239 4.948 -0.751 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.423 4.030 -2.039 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.852 3.346 -1.227 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.395 5.138 -1.124 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.089 3.998 -0.719 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.869 3.926 -2.317 1.00 12.30 H new ATOM 372 N GLU A 24 0.898 4.438 -5.599 1.00 9.54 N ATOM 373 CA GLU A 24 -0.149 4.186 -6.529 1.00 11.81 C ATOM 374 C GLU A 24 0.006 2.874 -7.183 1.00 11.14 C ATOM 375 O GLU A 24 -0.870 2.059 -7.139 1.00 10.62 O ATOM 376 CB GLU A 24 -0.309 5.395 -7.531 1.00 19.24 C ATOM 377 CG GLU A 24 -1.510 5.218 -8.501 1.00 27.76 C ATOM 378 CD GLU A 24 -1.421 6.207 -9.593 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.510 6.186 -10.461 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.246 7.174 -9.614 1.00 36.51 O ATOM 0 H GLU A 24 1.425 5.281 -5.827 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.092 4.118 -5.987 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.439 6.317 -6.964 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.607 5.504 -8.111 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.512 4.208 -8.912 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.448 5.344 -7.960 1.00 27.76 H new ATOM 387 N ASN A 25 1.206 2.458 -7.712 1.00 9.43 N ATOM 388 CA ASN A 25 1.426 1.116 -8.144 1.00 10.96 C ATOM 389 C ASN A 25 1.293 0.024 -7.051 1.00 9.68 C ATOM 390 O ASN A 25 0.775 -1.093 -7.312 1.00 9.33 O ATOM 391 CB ASN A 25 2.787 1.049 -8.875 1.00 16.78 C ATOM 392 CG ASN A 25 2.698 0.413 -10.252 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.635 -0.781 -10.292 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.519 1.242 -11.290 1.00 24.70 N ATOM 0 H ASN A 25 2.013 3.071 -7.831 1.00 9.43 H new ATOM 0 HA ASN A 25 0.611 0.870 -8.825 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.189 2.057 -8.973 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.492 0.483 -8.266 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.309 0.864 -12.214 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.593 2.250 -11.156 1.00 24.70 H new ATOM 401 N VAL A 26 1.699 0.272 -5.834 1.00 6.52 N ATOM 402 CA VAL A 26 1.439 -0.728 -4.798 1.00 5.53 C ATOM 403 C VAL A 26 -0.082 -1.076 -4.646 1.00 4.42 C ATOM 404 O VAL A 26 -0.535 -2.242 -4.621 1.00 3.40 O ATOM 405 CB VAL A 26 2.026 -0.304 -3.442 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.559 -1.125 -2.285 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.530 -0.430 -3.499 1.00 8.12 C ATOM 0 H VAL A 26 2.190 1.113 -5.531 1.00 6.52 H new ATOM 0 HA VAL A 26 1.944 -1.635 -5.131 1.00 5.53 H new ATOM 0 HB VAL A 26 1.687 0.719 -3.279 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.021 -0.758 -1.369 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.475 -1.050 -2.200 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.839 -2.167 -2.441 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.957 -0.131 -2.541 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.801 -1.465 -3.710 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.920 0.215 -4.287 1.00 8.12 H new ATOM 417 N LYS A 27 -0.891 -0.006 -4.594 1.00 2.64 N ATOM 418 CA LYS A 27 -2.337 -0.013 -4.682 1.00 4.14 C ATOM 419 C LYS A 27 -2.904 -0.679 -5.935 1.00 5.58 C ATOM 420 O LYS A 27 -3.879 -1.385 -5.772 1.00 4.11 O ATOM 421 CB LYS A 27 -2.984 1.393 -4.568 1.00 3.97 C ATOM 422 CG LYS A 27 -2.767 2.180 -3.227 1.00 7.45 C ATOM 423 CD LYS A 27 -3.282 3.579 -3.330 1.00 9.02 C ATOM 424 CE LYS A 27 -3.288 4.210 -1.956 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.721 5.646 -1.968 1.00 15.47 N ATOM 0 H LYS A 27 -0.519 0.937 -4.483 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.603 -0.615 -3.813 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.603 2.007 -5.384 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.057 1.284 -4.725 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.274 1.662 -2.413 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.705 2.198 -2.981 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.656 4.160 -4.007 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.289 3.579 -3.747 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.953 3.642 -1.305 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.288 4.142 -1.528 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.122 6.195 -1.319 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.629 6.028 -2.931 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.713 5.712 -1.663 1.00 15.47 H new ATOM 439 N ALA A 28 -2.242 -0.526 -7.075 1.00 6.61 N ATOM 440 CA ALA A 28 -2.576 -1.190 -8.323 1.00 7.74 C ATOM 441 C ALA A 28 -2.341 -2.690 -8.301 1.00 9.17 C ATOM 442 O ALA A 28 -3.173 -3.480 -8.751 1.00 11.45 O ATOM 443 CB ALA A 28 -1.747 -0.506 -9.447 1.00 7.68 C ATOM 0 H ALA A 28 -1.430 0.086 -7.156 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.646 -1.084 -8.499 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.971 -0.979 -10.403 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.004 0.552 -9.496 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.684 -0.611 -9.230 1.00 7.68 H new ATOM 449 N LYS A 29 -1.282 -3.121 -7.610 1.00 8.96 N ATOM 450 CA LYS A 29 -1.070 -4.492 -7.228 1.00 7.90 C ATOM 451 C LYS A 29 -2.056 -5.043 -6.164 1.00 6.92 C ATOM 452 O LYS A 29 -2.504 -6.139 -6.271 1.00 6.87 O ATOM 453 CB LYS A 29 0.409 -4.665 -6.796 1.00 10.28 C ATOM 454 CG LYS A 29 1.446 -4.296 -7.873 1.00 14.94 C ATOM 455 CD LYS A 29 2.812 -4.152 -7.226 1.00 19.69 C ATOM 456 CE LYS A 29 3.926 -3.839 -8.249 1.00 22.63 C ATOM 457 NZ LYS A 29 4.376 -4.969 -9.103 1.00 24.98 N ATOM 0 H LYS A 29 -0.537 -2.498 -7.300 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.285 -5.102 -8.105 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.589 -4.051 -5.914 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.567 -5.702 -6.500 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.476 -5.065 -8.644 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.163 -3.364 -8.363 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.775 -3.357 -6.481 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.058 -5.073 -6.697 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.577 -3.037 -8.900 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.790 -3.456 -7.706 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.099 -4.633 -9.771 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.779 -5.718 -8.504 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.565 -5.348 -9.633 1.00 24.98 H new ATOM 471 N ILE A 30 -2.508 -4.206 -5.213 1.00 4.57 N ATOM 472 CA ILE A 30 -3.684 -4.581 -4.440 1.00 5.58 C ATOM 473 C ILE A 30 -5.001 -4.623 -5.245 1.00 7.26 C ATOM 474 O ILE A 30 -5.755 -5.621 -5.109 1.00 9.46 O ATOM 475 CB ILE A 30 -3.884 -3.680 -3.244 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.794 -3.869 -2.188 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.246 -3.969 -2.595 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.647 -2.744 -1.176 1.00 2.00 C ATOM 0 H ILE A 30 -2.092 -3.306 -4.975 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.465 -5.599 -4.119 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.837 -2.653 -3.607 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.996 -4.794 -1.647 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.840 -4.000 -2.698 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.384 -3.316 -1.733 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.040 -3.787 -3.319 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.281 -5.009 -2.271 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.846 -2.985 -0.477 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.408 -1.816 -1.696 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.582 -2.623 -0.628 1.00 2.00 H new ATOM 490 N GLN A 31 -5.307 -3.670 -6.172 1.00 7.06 N ATOM 491 CA GLN A 31 -6.380 -3.887 -7.137 1.00 8.67 C ATOM 492 C GLN A 31 -6.331 -5.234 -7.883 1.00 10.90 C ATOM 493 O GLN A 31 -7.254 -6.016 -7.945 1.00 9.63 O ATOM 494 CB GLN A 31 -6.499 -2.689 -8.140 1.00 9.12 C ATOM 495 CG GLN A 31 -7.901 -2.643 -8.874 1.00 10.76 C ATOM 496 CD GLN A 31 -8.092 -1.420 -9.715 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.176 -0.715 -10.149 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.369 -1.137 -10.078 1.00 14.76 N ATOM 0 H GLN A 31 -4.829 -2.773 -6.256 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.285 -3.938 -6.531 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.344 -1.754 -7.602 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.706 -2.764 -8.884 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.002 -3.527 -9.503 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.695 -2.690 -8.128 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.137 -1.710 -9.728 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.560 -0.352 -10.700 1.00 14.76 H new ATOM 507 N ASP A 32 -5.173 -5.588 -8.442 1.00 10.93 N ATOM 508 CA ASP A 32 -5.028 -6.895 -9.059 1.00 14.01 C ATOM 509 C ASP A 32 -5.342 -8.129 -8.081 1.00 14.04 C ATOM 510 O ASP A 32 -6.020 -9.094 -8.489 1.00 13.39 O ATOM 511 CB ASP A 32 -3.616 -6.991 -9.631 1.00 18.01 C ATOM 512 CG ASP A 32 -3.420 -7.983 -10.655 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.405 -8.693 -11.026 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.252 -8.252 -11.022 1.00 26.29 O ATOM 0 H ASP A 32 -4.342 -4.998 -8.478 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.779 -6.976 -9.845 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.342 -6.017 -10.038 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.927 -7.200 -8.813 1.00 18.01 H new ATOM 519 N LYS A 33 -4.877 -8.055 -6.802 1.00 14.22 N ATOM 520 CA LYS A 33 -5.137 -9.009 -5.739 1.00 14.00 C ATOM 521 C LYS A 33 -6.581 -9.048 -5.254 1.00 12.37 C ATOM 522 O LYS A 33 -7.219 -10.106 -5.281 1.00 12.17 O ATOM 523 CB LYS A 33 -4.236 -8.706 -4.506 1.00 18.62 C ATOM 524 CG LYS A 33 -2.775 -9.113 -4.606 1.00 24.00 C ATOM 525 CD LYS A 33 -2.485 -10.582 -4.655 1.00 27.61 C ATOM 526 CE LYS A 33 -1.058 -11.022 -4.653 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.929 -12.418 -5.016 1.00 30.06 N ATOM 0 H LYS A 33 -4.285 -7.284 -6.492 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.914 -9.979 -6.183 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.277 -7.634 -4.311 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.669 -9.205 -3.639 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.355 -8.654 -5.501 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.245 -8.690 -3.752 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.977 -11.047 -3.801 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.956 -10.984 -5.552 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.487 -10.410 -5.351 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.629 -10.862 -3.664 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.075 -12.688 -5.004 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.453 -13.004 -4.335 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.316 -12.566 -5.970 1.00 30.06 H new ATOM 541 N GLU A 34 -7.258 -7.921 -4.932 1.00 10.11 N ATOM 542 CA GLU A 34 -8.560 -8.055 -4.290 1.00 10.07 C ATOM 543 C GLU A 34 -9.647 -7.255 -5.000 1.00 9.32 C ATOM 544 O GLU A 34 -10.723 -7.103 -4.406 1.00 11.61 O ATOM 545 CB GLU A 34 -8.366 -7.342 -2.890 1.00 14.77 C ATOM 546 CG GLU A 34 -7.240 -7.956 -2.008 1.00 18.75 C ATOM 547 CD GLU A 34 -7.609 -9.402 -1.550 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.715 -9.713 -0.983 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.618 -10.217 -1.698 1.00 21.95 O ATOM 0 H GLU A 34 -6.938 -6.967 -5.099 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.858 -9.103 -4.269 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.144 -6.288 -3.060 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.306 -7.385 -2.340 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.305 -7.976 -2.568 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.074 -7.326 -1.134 1.00 18.75 H new ATOM 556 N GLY A 35 -9.438 -6.654 -6.192 1.00 7.22 N ATOM 557 CA GLY A 35 -10.456 -5.988 -6.982 1.00 6.29 C ATOM 558 C GLY A 35 -10.886 -4.653 -6.363 1.00 6.93 C ATOM 559 O GLY A 35 -12.007 -4.177 -6.395 1.00 7.41 O ATOM 0 H GLY A 35 -8.518 -6.627 -6.632 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.077 -5.814 -7.989 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.325 -6.640 -7.076 1.00 6.29 H new ATOM 563 N ILE A 36 -10.003 -3.995 -5.596 1.00 5.86 N ATOM 564 CA ILE A 36 -10.316 -2.710 -4.876 1.00 6.07 C ATOM 565 C ILE A 36 -9.671 -1.598 -5.592 1.00 6.36 C ATOM 566 O ILE A 36 -8.437 -1.663 -5.703 1.00 6.18 O ATOM 567 CB ILE A 36 -9.869 -2.723 -3.403 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.472 -3.954 -2.642 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.258 -1.412 -2.615 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.657 -4.247 -1.381 1.00 9.49 C ATOM 0 H ILE A 36 -9.049 -4.322 -5.445 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.399 -2.587 -4.867 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.781 -2.787 -3.436 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.509 -3.753 -2.375 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.474 -4.828 -3.293 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.912 -1.491 -1.584 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.790 -0.550 -3.090 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.341 -1.289 -2.626 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.086 -5.104 -0.862 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.626 -4.469 -1.657 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.677 -3.377 -0.724 1.00 9.49 H new ATOM 582 N PRO A 37 -10.317 -0.627 -6.193 1.00 8.65 N ATOM 583 CA PRO A 37 -9.665 0.558 -6.803 1.00 9.18 C ATOM 584 C PRO A 37 -8.732 1.302 -5.940 1.00 9.85 C ATOM 585 O PRO A 37 -9.033 1.433 -4.763 1.00 8.51 O ATOM 586 CB PRO A 37 -10.834 1.398 -7.183 1.00 11.42 C ATOM 587 CG PRO A 37 -11.878 0.420 -7.651 1.00 9.27 C ATOM 588 CD PRO A 37 -11.728 -0.666 -6.630 1.00 8.33 C ATOM 0 HA PRO A 37 -9.012 0.259 -7.623 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.192 1.983 -6.336 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.573 2.105 -7.971 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.879 0.852 -7.650 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.686 0.064 -8.663 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.401 -0.505 -5.788 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.977 -1.638 -7.056 1.00 8.33 H new ATOM 596 N PRO A 38 -7.636 1.895 -6.378 1.00 8.71 N ATOM 597 CA PRO A 38 -6.721 2.721 -5.539 1.00 9.08 C ATOM 598 C PRO A 38 -7.405 3.900 -4.874 1.00 9.28 C ATOM 599 O PRO A 38 -6.919 4.393 -3.862 1.00 6.50 O ATOM 600 CB PRO A 38 -5.704 3.210 -6.560 1.00 10.31 C ATOM 601 CG PRO A 38 -5.605 1.967 -7.480 1.00 10.81 C ATOM 602 CD PRO A 38 -7.025 1.608 -7.649 1.00 12.00 C ATOM 0 HA PRO A 38 -6.306 2.151 -4.707 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.047 4.095 -7.095 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.748 3.464 -6.103 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.125 2.198 -8.431 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.031 1.162 -7.021 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.486 2.188 -8.448 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.137 0.556 -7.912 1.00 12.00 H new ATOM 610 N ASP A 39 -8.569 4.369 -5.344 1.00 11.20 N ATOM 611 CA ASP A 39 -9.303 5.575 -4.901 1.00 14.96 C ATOM 612 C ASP A 39 -9.998 5.145 -3.594 1.00 13.99 C ATOM 613 O ASP A 39 -10.326 5.972 -2.724 1.00 13.75 O ATOM 614 CB ASP A 39 -10.374 6.050 -5.943 1.00 24.16 C ATOM 615 CG ASP A 39 -9.691 6.409 -7.221 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.925 7.378 -7.285 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.947 5.660 -8.227 1.00 35.55 O ATOM 0 H ASP A 39 -9.061 3.887 -6.096 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.623 6.418 -4.777 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.105 5.260 -6.117 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.920 6.910 -5.555 1.00 24.16 H new ATOM 622 N GLN A 40 -10.082 3.820 -3.316 1.00 11.60 N ATOM 623 CA GLN A 40 -10.699 3.376 -2.059 1.00 10.76 C ATOM 624 C GLN A 40 -9.659 2.939 -1.011 1.00 8.01 C ATOM 625 O GLN A 40 -10.048 2.516 0.074 1.00 8.96 O ATOM 626 CB GLN A 40 -11.701 2.262 -2.232 1.00 11.14 C ATOM 627 CG GLN A 40 -12.831 2.671 -3.211 1.00 14.85 C ATOM 628 CD GLN A 40 -13.750 1.505 -3.599 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.981 0.635 -2.788 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.249 1.404 -4.824 1.00 18.16 N ATOM 0 H GLN A 40 -9.743 3.073 -3.923 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.228 4.260 -1.703 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.197 1.371 -2.606 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.131 2.002 -1.265 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.429 3.460 -2.755 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.386 3.090 -4.114 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.060 2.132 -5.513 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.822 0.599 -5.077 1.00 18.16 H new ATOM 639 N GLN A 41 -8.369 3.024 -1.240 1.00 6.52 N ATOM 640 CA GLN A 41 -7.246 2.527 -0.442 1.00 3.87 C ATOM 641 C GLN A 41 -6.464 3.646 0.247 1.00 4.79 C ATOM 642 O GLN A 41 -6.008 4.636 -0.398 1.00 6.34 O ATOM 643 CB GLN A 41 -6.311 1.681 -1.306 1.00 4.20 C ATOM 644 CG GLN A 41 -7.013 0.484 -2.013 1.00 3.20 C ATOM 645 CD GLN A 41 -6.062 -0.236 -2.970 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.892 -0.368 -2.746 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.594 -0.874 -4.014 1.00 7.13 N ATOM 0 H GLN A 41 -8.032 3.493 -2.081 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.672 1.908 0.347 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.855 2.320 -2.062 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.503 1.298 -0.682 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.379 -0.219 -1.264 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.882 0.844 -2.564 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.588 -0.774 -4.220 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.007 -1.462 -4.606 1.00 7.13 H new ATOM 656 N ARG A 42 -6.222 3.534 1.518 1.00 5.73 N ATOM 657 CA ARG A 42 -5.282 4.332 2.274 1.00 6.97 C ATOM 658 C ARG A 42 -4.282 3.383 2.807 1.00 7.15 C ATOM 659 O ARG A 42 -4.609 2.466 3.613 1.00 7.33 O ATOM 660 CB ARG A 42 -6.058 5.060 3.405 1.00 13.23 C ATOM 661 CG ARG A 42 -6.997 6.188 2.886 1.00 21.27 C ATOM 662 CD ARG A 42 -7.651 6.912 3.983 1.00 26.14 C ATOM 663 NE ARG A 42 -8.096 8.212 3.400 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.283 8.795 3.653 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.267 8.182 4.323 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.568 10.048 3.167 1.00 36.39 N ATOM 0 H ARG A 42 -6.700 2.844 2.097 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.784 5.096 1.677 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.650 4.330 3.957 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.343 5.488 4.108 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.421 6.889 2.282 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.756 5.756 2.234 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.498 6.348 4.374 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.962 7.070 4.813 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.457 8.692 2.766 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.134 7.231 4.667 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.149 8.666 4.490 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.877 10.547 2.607 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.471 10.479 3.366 1.00 36.39 H new ATOM 680 N LEU A 43 -2.989 3.638 2.445 1.00 4.65 N ATOM 681 CA LEU A 43 -1.914 2.870 2.905 1.00 3.51 C ATOM 682 C LEU A 43 -1.168 3.568 3.980 1.00 5.56 C ATOM 683 O LEU A 43 -0.836 4.765 3.826 1.00 4.19 O ATOM 684 CB LEU A 43 -0.921 2.475 1.764 1.00 3.74 C ATOM 685 CG LEU A 43 -1.492 1.332 0.908 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.759 1.307 -0.474 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.241 0.013 1.673 1.00 6.41 C ATOM 0 H LEU A 43 -2.719 4.398 1.821 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.355 1.956 3.303 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.722 3.342 1.134 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.032 2.170 2.196 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.559 1.466 0.729 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.161 0.498 -1.084 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.913 2.258 -0.985 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.308 1.148 -0.317 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.634 -0.823 1.095 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.170 -0.122 1.824 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.742 0.052 2.640 1.00 6.41 H new ATOM 699 N ILE A 44 -0.767 2.826 5.026 1.00 4.58 N ATOM 700 CA ILE A 44 -0.143 3.360 6.260 1.00 5.55 C ATOM 701 C ILE A 44 1.171 2.574 6.471 1.00 5.46 C ATOM 702 O ILE A 44 1.178 1.345 6.314 1.00 6.04 O ATOM 703 CB ILE A 44 -1.118 3.192 7.492 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.203 4.317 7.562 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.273 3.152 8.812 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.360 4.103 6.601 1.00 13.90 C ATOM 0 H ILE A 44 -0.868 1.811 5.042 1.00 4.58 H new ATOM 0 HA ILE A 44 0.062 4.427 6.168 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.660 2.255 7.367 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.591 4.374 8.579 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.734 5.277 7.346 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.939 3.036 9.667 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.420 2.311 8.775 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.289 4.081 8.913 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.074 4.920 6.703 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.983 4.076 5.578 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.854 3.159 6.831 1.00 13.90 H new ATOM 718 N PHE A 45 2.269 3.213 6.780 1.00 6.75 N ATOM 719 CA PHE A 45 3.518 2.566 7.118 1.00 4.70 C ATOM 720 C PHE A 45 4.171 3.376 8.171 1.00 6.34 C ATOM 721 O PHE A 45 4.338 4.626 8.109 1.00 5.45 O ATOM 722 CB PHE A 45 4.398 2.282 5.852 1.00 5.51 C ATOM 723 CG PHE A 45 5.763 1.774 6.193 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.982 0.447 6.590 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.781 2.674 6.249 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.305 0.086 7.068 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.115 2.275 6.679 1.00 6.64 C ATOM 728 CZ PHE A 45 8.335 0.968 7.089 1.00 6.84 C ATOM 0 H PHE A 45 2.324 4.231 6.805 1.00 6.75 H new ATOM 0 HA PHE A 45 3.347 1.568 7.523 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.892 1.552 5.220 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.492 3.198 5.268 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.190 -0.285 6.542 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.598 3.701 5.970 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.475 -0.921 7.419 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.925 2.990 6.679 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.314 0.657 7.421 1.00 6.84 H new ATOM 738 N ALA A 46 4.661 2.665 9.237 1.00 6.53 N ATOM 739 CA ALA A 46 5.418 3.273 10.289 1.00 7.15 C ATOM 740 C ALA A 46 4.586 4.177 11.159 1.00 9.00 C ATOM 741 O ALA A 46 5.061 5.065 11.889 1.00 11.15 O ATOM 742 CB ALA A 46 6.800 3.867 9.853 1.00 8.99 C ATOM 0 H ALA A 46 4.522 1.661 9.354 1.00 6.53 H new ATOM 0 HA ALA A 46 5.714 2.448 10.936 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.297 4.305 10.719 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.423 3.074 9.439 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.643 4.637 9.097 1.00 8.99 H new ATOM 748 N GLY A 47 3.227 4.017 11.167 1.00 9.35 N ATOM 749 CA GLY A 47 2.232 4.927 11.629 1.00 11.68 C ATOM 750 C GLY A 47 2.010 6.137 10.744 1.00 11.14 C ATOM 751 O GLY A 47 1.227 6.961 11.127 1.00 13.93 O ATOM 0 H GLY A 47 2.805 3.159 10.811 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.288 4.390 11.728 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.510 5.271 12.625 1.00 11.68 H new ATOM 755 N LYS A 48 2.595 6.242 9.608 1.00 10.47 N ATOM 756 CA LYS A 48 2.375 7.369 8.636 1.00 8.82 C ATOM 757 C LYS A 48 1.619 6.935 7.453 1.00 7.68 C ATOM 758 O LYS A 48 1.907 5.898 6.839 1.00 6.47 O ATOM 759 CB LYS A 48 3.715 7.782 8.006 1.00 9.74 C ATOM 760 CG LYS A 48 4.653 8.489 9.010 1.00 14.14 C ATOM 761 CD LYS A 48 6.037 8.779 8.435 1.00 16.32 C ATOM 762 CE LYS A 48 6.906 7.517 8.147 1.00 20.04 C ATOM 763 NZ LYS A 48 8.100 7.956 7.441 1.00 23.92 N ATOM 0 H LYS A 48 3.268 5.552 9.273 1.00 10.47 H new ATOM 0 HA LYS A 48 1.870 8.148 9.207 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.214 6.897 7.610 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.526 8.446 7.162 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.195 9.425 9.328 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.759 7.867 9.899 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.919 9.340 7.508 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.576 9.422 9.131 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.174 7.016 9.077 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.349 6.798 7.547 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.703 7.134 7.234 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.826 8.418 6.550 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.626 8.630 8.034 1.00 23.92 H new ATOM 777 N GLN A 49 0.591 7.751 6.983 1.00 8.89 N ATOM 778 CA GLN A 49 -0.034 7.508 5.710 1.00 7.18 C ATOM 779 C GLN A 49 0.855 7.919 4.533 1.00 8.23 C ATOM 780 O GLN A 49 1.679 8.821 4.718 1.00 9.70 O ATOM 781 CB GLN A 49 -1.303 8.356 5.655 1.00 11.67 C ATOM 782 CG GLN A 49 -2.272 8.206 4.378 1.00 15.82 C ATOM 783 CD GLN A 49 -3.185 9.362 4.090 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.903 10.162 3.199 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.378 9.324 4.781 1.00 20.67 N ATOM 0 H GLN A 49 0.220 8.553 7.491 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.232 6.440 5.624 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.891 8.132 6.545 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.006 9.402 5.725 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.652 8.033 3.498 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.884 7.315 4.517 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.525 8.623 5.507 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.114 9.997 4.566 1.00 20.67 H new ATOM 794 N LEU A 50 0.682 7.188 3.402 1.00 6.51 N ATOM 795 CA LEU A 50 1.580 7.372 2.319 1.00 7.41 C ATOM 796 C LEU A 50 0.887 8.052 1.095 1.00 8.27 C ATOM 797 O LEU A 50 -0.254 7.620 0.808 1.00 8.34 O ATOM 798 CB LEU A 50 2.082 5.996 1.853 1.00 7.13 C ATOM 799 CG LEU A 50 2.764 5.159 2.942 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.175 3.774 2.456 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.811 5.892 3.717 1.00 9.11 C ATOM 0 H LEU A 50 -0.055 6.498 3.253 1.00 6.51 H new ATOM 0 HA LEU A 50 2.391 8.010 2.669 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.238 5.432 1.456 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.784 6.140 1.032 1.00 7.13 H new ATOM 0 HG LEU A 50 1.994 4.972 3.690 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.652 3.229 3.271 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.292 3.228 2.123 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.875 3.872 1.626 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.242 5.227 4.466 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.594 6.232 3.039 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.361 6.753 4.212 1.00 9.11 H new ATOM 813 N GLU A 51 1.590 8.916 0.374 1.00 9.43 N ATOM 814 CA GLU A 51 0.991 9.653 -0.731 1.00 11.90 C ATOM 815 C GLU A 51 1.187 8.857 -2.062 1.00 11.49 C ATOM 816 O GLU A 51 2.242 8.405 -2.415 1.00 9.88 O ATOM 817 CB GLU A 51 1.581 11.099 -0.962 1.00 16.56 C ATOM 818 CG GLU A 51 1.570 11.898 0.351 1.00 26.06 C ATOM 819 CD GLU A 51 2.401 13.144 0.477 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.449 13.304 -0.173 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.025 13.932 1.359 1.00 32.13 O ATOM 0 H GLU A 51 2.576 9.124 0.535 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.057 9.767 -0.455 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.600 11.026 -1.343 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.995 11.621 -1.718 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.536 12.176 0.553 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.879 11.220 1.146 1.00 26.06 H new ATOM 828 N ASP A 52 0.160 8.774 -2.828 1.00 12.71 N ATOM 829 CA ASP A 52 0.066 7.970 -4.043 1.00 16.56 C ATOM 830 C ASP A 52 1.192 8.099 -5.057 1.00 15.83 C ATOM 831 O ASP A 52 1.733 7.141 -5.532 1.00 17.21 O ATOM 832 CB ASP A 52 -1.224 8.455 -4.717 1.00 21.05 C ATOM 833 CG ASP A 52 -2.397 8.161 -3.836 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.901 7.048 -3.956 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.833 9.029 -3.007 1.00 25.82 O ATOM 0 H ASP A 52 -0.700 9.287 -2.632 1.00 12.71 H new ATOM 0 HA ASP A 52 0.106 6.923 -3.742 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.163 9.526 -4.912 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.349 7.962 -5.681 1.00 21.05 H new ATOM 840 N GLY A 53 1.628 9.375 -5.255 1.00 15.00 N ATOM 841 CA GLY A 53 2.642 9.712 -6.236 1.00 11.77 C ATOM 842 C GLY A 53 4.071 9.563 -5.764 1.00 11.10 C ATOM 843 O GLY A 53 4.984 10.074 -6.423 1.00 11.25 O ATOM 0 H GLY A 53 1.276 10.177 -4.732 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.499 9.082 -7.114 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.487 10.743 -6.555 1.00 11.77 H new ATOM 847 N ARG A 54 4.366 8.826 -4.634 1.00 8.53 N ATOM 848 CA ARG A 54 5.710 8.683 -4.076 1.00 9.05 C ATOM 849 C ARG A 54 6.287 7.304 -4.212 1.00 8.96 C ATOM 850 O ARG A 54 5.536 6.344 -4.423 1.00 11.60 O ATOM 851 CB ARG A 54 5.602 8.913 -2.512 1.00 7.97 C ATOM 852 CG ARG A 54 5.165 10.298 -2.042 1.00 9.62 C ATOM 853 CD ARG A 54 6.109 11.352 -2.531 1.00 12.20 C ATOM 854 NE ARG A 54 5.531 12.635 -1.964 1.00 18.23 N ATOM 855 CZ ARG A 54 6.129 13.832 -2.081 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.249 13.912 -2.806 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.566 14.876 -1.540 1.00 23.38 N ATOM 0 H ARG A 54 3.655 8.323 -4.103 1.00 8.53 H new ATOM 0 HA ARG A 54 6.341 9.390 -4.615 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.900 8.182 -2.110 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.575 8.697 -2.070 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.159 10.509 -2.405 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.122 10.320 -0.953 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.125 11.178 -2.175 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.153 11.378 -3.620 1.00 12.20 H new ATOM 0 HE ARG A 54 4.641 12.586 -1.468 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.628 13.077 -3.253 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.725 14.808 -2.912 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.684 14.777 -1.037 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.007 15.792 -1.620 1.00 23.38 H new ATOM 871 N THR A 55 7.596 7.141 -4.150 1.00 9.05 N ATOM 872 CA THR A 55 8.134 5.789 -4.281 1.00 9.03 C ATOM 873 C THR A 55 8.288 5.176 -2.950 1.00 8.15 C ATOM 874 O THR A 55 8.304 5.802 -1.886 1.00 5.91 O ATOM 875 CB THR A 55 9.406 5.562 -5.044 1.00 11.15 C ATOM 876 OG1 THR A 55 10.601 6.120 -4.519 1.00 11.95 O ATOM 877 CG2 THR A 55 9.248 6.141 -6.510 1.00 11.71 C ATOM 0 H THR A 55 8.282 7.884 -4.017 1.00 9.05 H new ATOM 0 HA THR A 55 7.375 5.324 -4.910 1.00 9.03 H new ATOM 0 HB THR A 55 9.531 4.481 -4.988 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.444 7.055 -4.272 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.171 5.978 -7.067 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.425 5.635 -7.014 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.040 7.210 -6.459 1.00 11.71 H new ATOM 885 N LEU A 56 8.334 3.849 -2.938 1.00 6.91 N ATOM 886 CA LEU A 56 8.730 3.031 -1.816 1.00 8.29 C ATOM 887 C LEU A 56 10.095 3.379 -1.215 1.00 8.05 C ATOM 888 O LEU A 56 10.333 3.249 0.011 1.00 10.17 O ATOM 889 CB LEU A 56 8.589 1.522 -2.143 1.00 6.60 C ATOM 890 CG LEU A 56 7.183 1.051 -2.410 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.193 -0.257 -3.221 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.566 0.797 -1.071 1.00 8.64 C ATOM 0 H LEU A 56 8.082 3.294 -3.756 1.00 6.91 H new ATOM 0 HA LEU A 56 8.026 3.271 -1.019 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.202 1.297 -3.016 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.996 0.947 -1.311 1.00 6.60 H new ATOM 0 HG LEU A 56 6.629 1.794 -2.983 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.168 -0.580 -3.403 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.696 -0.091 -4.174 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.722 -1.028 -2.661 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.541 0.451 -1.203 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.141 0.035 -0.544 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.566 1.719 -0.489 1.00 8.64 H new ATOM 904 N SER A 57 11.034 3.871 -2.052 1.00 8.92 N ATOM 905 CA SER A 57 12.422 4.299 -1.739 1.00 9.00 C ATOM 906 C SER A 57 12.458 5.554 -0.903 1.00 9.44 C ATOM 907 O SER A 57 13.294 5.844 -0.025 1.00 10.91 O ATOM 908 CB SER A 57 13.271 4.568 -3.009 1.00 10.32 C ATOM 909 OG SER A 57 14.686 4.491 -2.838 1.00 13.59 O ATOM 0 H SER A 57 10.828 3.990 -3.044 1.00 8.92 H new ATOM 0 HA SER A 57 12.846 3.462 -1.184 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.977 3.853 -3.778 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.023 5.560 -3.385 1.00 10.32 H new ATOM 0 HG SER A 57 15.129 4.674 -3.693 1.00 13.59 H new ATOM 915 N ASP A 58 11.442 6.388 -1.120 1.00 9.11 N ATOM 916 CA ASP A 58 11.140 7.635 -0.479 1.00 7.91 C ATOM 917 C ASP A 58 10.731 7.431 1.001 1.00 9.12 C ATOM 918 O ASP A 58 11.050 8.264 1.839 1.00 8.61 O ATOM 919 CB ASP A 58 10.039 8.481 -1.146 1.00 8.41 C ATOM 920 CG ASP A 58 10.505 9.039 -2.504 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.313 9.997 -2.494 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.965 8.629 -3.566 1.00 11.70 O ATOM 0 H ASP A 58 10.743 6.167 -1.830 1.00 9.11 H new ATOM 0 HA ASP A 58 12.076 8.186 -0.571 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.146 7.872 -1.288 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.762 9.305 -0.488 1.00 8.41 H new ATOM 927 N TYR A 59 10.177 6.255 1.363 1.00 7.97 N ATOM 928 CA TYR A 59 9.694 5.918 2.654 1.00 8.45 C ATOM 929 C TYR A 59 10.730 5.047 3.335 1.00 10.98 C ATOM 930 O TYR A 59 10.665 4.668 4.547 1.00 12.95 O ATOM 931 CB TYR A 59 8.280 5.268 2.617 1.00 7.94 C ATOM 932 CG TYR A 59 7.336 6.439 2.251 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.031 7.395 3.212 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.700 6.404 1.017 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.024 8.361 2.934 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.668 7.345 0.725 1.00 6.52 C ATOM 937 CZ TYR A 59 5.361 8.323 1.696 1.00 6.76 C ATOM 938 OH TYR A 59 4.339 9.342 1.441 1.00 7.63 O ATOM 0 H TYR A 59 10.063 5.491 0.697 1.00 7.97 H new ATOM 0 HA TYR A 59 9.554 6.828 3.238 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.228 4.468 1.878 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.017 4.830 3.580 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.552 7.405 4.158 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.986 5.667 0.281 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.772 9.114 3.666 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.136 7.310 -0.214 1.00 6.52 H new ATOM 0 HH TYR A 59 4.769 10.216 1.331 1.00 7.63 H new ATOM 948 N ASN A 60 11.765 4.679 2.610 1.00 12.38 N ATOM 949 CA ASN A 60 12.693 3.624 3.110 1.00 13.94 C ATOM 950 C ASN A 60 12.077 2.253 3.360 1.00 14.16 C ATOM 951 O ASN A 60 12.442 1.578 4.309 1.00 14.26 O ATOM 952 CB ASN A 60 13.705 3.934 4.227 1.00 19.23 C ATOM 953 CG ASN A 60 14.450 5.203 3.785 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.070 5.244 2.647 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.480 6.202 4.724 1.00 24.09 N ATOM 0 H ASN A 60 12.002 5.066 1.697 1.00 12.38 H new ATOM 0 HA ASN A 60 13.297 3.609 2.202 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.199 4.091 5.179 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.398 3.104 4.367 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.017 7.051 4.548 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.965 6.096 5.598 1.00 24.09 H new ATOM 962 N ILE A 61 11.151 1.854 2.525 1.00 11.08 N ATOM 963 CA ILE A 61 10.408 0.604 2.680 1.00 11.78 C ATOM 964 C ILE A 61 11.222 -0.434 1.948 1.00 13.74 C ATOM 965 O ILE A 61 11.494 -0.302 0.740 1.00 14.60 O ATOM 966 CB ILE A 61 8.987 0.625 2.155 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.135 1.496 3.128 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.368 -0.780 2.127 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.856 2.011 2.493 1.00 11.42 C ATOM 0 H ILE A 61 10.879 2.389 1.701 1.00 11.08 H new ATOM 0 HA ILE A 61 10.284 0.399 3.743 1.00 11.78 H new ATOM 0 HB ILE A 61 8.999 1.020 1.139 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.885 0.907 4.011 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.732 2.342 3.468 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.349 -0.721 1.744 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.962 -1.426 1.480 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.353 -1.191 3.136 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.305 2.610 3.218 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.102 2.625 1.627 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.241 1.168 2.178 1.00 11.42 H new ATOM 981 N GLN A 62 11.696 -1.469 2.670 1.00 13.97 N ATOM 982 CA GLN A 62 12.565 -2.501 2.139 1.00 15.52 C ATOM 983 C GLN A 62 11.916 -3.881 1.988 1.00 13.94 C ATOM 984 O GLN A 62 10.782 -4.031 2.433 1.00 12.15 O ATOM 985 CB GLN A 62 13.761 -2.641 3.108 1.00 19.53 C ATOM 986 CG GLN A 62 14.580 -1.319 3.360 1.00 26.38 C ATOM 987 CD GLN A 62 15.514 -1.600 4.495 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.052 -1.434 5.620 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.810 -2.048 4.225 1.00 32.71 N ATOM 0 H GLN A 62 11.472 -1.600 3.657 1.00 13.97 H new ATOM 0 HA GLN A 62 12.845 -2.187 1.133 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.391 -3.008 4.065 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.438 -3.400 2.716 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.133 -1.030 2.466 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.914 -0.492 3.603 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.120 -2.161 3.260 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.446 -2.262 4.993 1.00 32.71 H new ATOM 998 N LYS A 63 12.637 -4.869 1.444 1.00 11.73 N ATOM 999 CA LYS A 63 12.331 -6.280 1.400 1.00 11.97 C ATOM 1000 C LYS A 63 11.636 -6.798 2.621 1.00 10.41 C ATOM 1001 O LYS A 63 12.178 -6.791 3.729 1.00 9.59 O ATOM 1002 CB LYS A 63 13.615 -7.050 1.245 1.00 13.73 C ATOM 1003 CG LYS A 63 13.596 -8.537 1.136 1.00 16.98 C ATOM 1004 CD LYS A 63 14.987 -9.077 0.798 1.00 20.19 C ATOM 1005 CE LYS A 63 15.134 -10.619 0.519 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.600 -11.394 1.624 1.00 25.97 N ATOM 0 H LYS A 63 13.526 -4.669 0.986 1.00 11.73 H new ATOM 0 HA LYS A 63 11.651 -6.415 0.559 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.114 -6.668 0.354 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.247 -6.798 2.097 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.252 -8.970 2.075 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.887 -8.840 0.366 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.348 -8.543 -0.081 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.653 -8.822 1.622 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.610 -10.879 -0.401 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.184 -10.868 0.368 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.149 -12.271 1.730 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.663 -10.838 2.501 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.605 -11.629 1.434 1.00 25.97 H new ATOM 1020 N GLU A 64 10.380 -7.298 2.467 1.00 10.04 N ATOM 1021 CA GLU A 64 9.539 -7.956 3.408 1.00 10.94 C ATOM 1022 C GLU A 64 9.170 -7.156 4.660 1.00 9.74 C ATOM 1023 O GLU A 64 9.117 -7.624 5.790 1.00 9.42 O ATOM 1024 CB GLU A 64 9.956 -9.413 3.734 1.00 18.31 C ATOM 1025 CG GLU A 64 10.269 -10.143 2.447 1.00 24.16 C ATOM 1026 CD GLU A 64 10.905 -11.485 2.669 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.394 -12.321 3.382 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.958 -11.668 1.972 1.00 32.61 O ATOM 0 H GLU A 64 9.913 -7.222 1.563 1.00 10.04 H new ATOM 0 HA GLU A 64 8.603 -8.024 2.853 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.828 -9.416 4.389 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.154 -9.922 4.269 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.349 -10.274 1.878 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.934 -9.528 1.841 1.00 24.16 H new ATOM 1035 N SER A 65 8.867 -5.848 4.449 1.00 6.85 N ATOM 1036 CA SER A 65 8.272 -5.027 5.448 1.00 6.90 C ATOM 1037 C SER A 65 6.757 -5.139 5.413 1.00 4.72 C ATOM 1038 O SER A 65 6.151 -5.580 4.386 1.00 3.91 O ATOM 1039 CB SER A 65 8.680 -3.536 5.165 1.00 7.28 C ATOM 1040 OG SER A 65 8.769 -2.682 6.267 1.00 10.56 O ATOM 0 H SER A 65 9.043 -5.366 3.568 1.00 6.85 H new ATOM 0 HA SER A 65 8.618 -5.351 6.430 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.646 -3.539 4.660 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.957 -3.114 4.467 1.00 7.28 H new ATOM 0 HG SER A 65 8.230 -1.880 6.104 1.00 10.56 H new ATOM 1046 N THR A 66 6.183 -4.673 6.469 1.00 4.48 N ATOM 1047 CA THR A 66 4.698 -4.745 6.736 1.00 3.80 C ATOM 1048 C THR A 66 4.084 -3.372 6.521 1.00 4.60 C ATOM 1049 O THR A 66 4.254 -2.400 7.281 1.00 5.33 O ATOM 1050 CB THR A 66 4.363 -5.233 8.134 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.895 -6.540 8.207 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.830 -5.347 8.314 1.00 3.40 C ATOM 0 H THR A 66 6.702 -4.212 7.217 1.00 4.48 H new ATOM 0 HA THR A 66 4.284 -5.473 6.039 1.00 3.80 H new ATOM 0 HB THR A 66 4.758 -4.554 8.889 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.714 -6.918 9.093 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.607 -5.698 9.322 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.372 -4.370 8.161 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.430 -6.053 7.587 1.00 3.40 H new ATOM 1060 N LEU A 67 3.236 -3.299 5.483 1.00 4.17 N ATOM 1061 CA LEU A 67 2.397 -2.162 5.206 1.00 3.85 C ATOM 1062 C LEU A 67 0.973 -2.422 5.800 1.00 3.80 C ATOM 1063 O LEU A 67 0.640 -3.653 6.001 1.00 5.54 O ATOM 1064 CB LEU A 67 2.231 -1.910 3.725 1.00 7.18 C ATOM 1065 CG LEU A 67 3.503 -1.795 2.821 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.125 -1.117 1.527 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.616 -1.093 3.551 1.00 11.66 C ATOM 0 H LEU A 67 3.125 -4.055 4.808 1.00 4.17 H new ATOM 0 HA LEU A 67 2.878 -1.293 5.655 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.615 -2.714 3.323 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.664 -0.986 3.611 1.00 7.18 H new ATOM 0 HG LEU A 67 3.884 -2.787 2.579 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.005 -1.032 0.890 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.363 -1.706 1.017 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.733 -0.122 1.738 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.490 -1.025 2.903 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.292 -0.090 3.831 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.873 -1.655 4.449 1.00 11.66 H new ATOM 1079 N HIS A 68 0.198 -1.402 6.131 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.186 -1.584 6.602 1.00 4.17 C ATOM 1081 C HIS A 68 -2.252 -0.900 5.754 1.00 5.32 C ATOM 1082 O HIS A 68 -2.180 0.309 5.525 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.222 -0.922 8.001 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.197 -1.551 9.003 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.122 -1.208 9.076 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.342 -2.506 9.879 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.728 -2.024 9.977 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.826 -2.833 10.489 1.00 16.30 N ATOM 0 H HIS A 68 0.497 -0.428 6.085 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.417 -2.649 6.573 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.014 0.143 7.898 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.227 -1.012 8.414 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.286 -2.984 10.095 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.778 -2.011 10.231 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.973 -3.554 11.195 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.263 -1.657 5.241 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.286 -1.145 4.359 1.00 3.97 C ATOM 1098 C LEU A 69 -5.573 -1.027 5.196 1.00 5.07 C ATOM 1099 O LEU A 69 -5.994 -2.000 5.844 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.527 -2.234 3.226 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.496 -1.895 2.094 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.025 -0.737 1.167 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.883 -3.142 1.259 1.00 9.96 C ATOM 0 H LEU A 69 -3.368 -2.650 5.447 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.008 -0.187 3.920 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.561 -2.469 2.779 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.884 -3.144 3.709 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.387 -1.529 2.604 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.772 -0.564 0.393 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.896 0.171 1.756 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.076 -1.006 0.702 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.573 -2.850 0.467 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.986 -3.577 0.817 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.362 -3.878 1.905 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.160 0.180 5.143 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.528 0.489 5.591 1.00 6.26 C ATOM 1117 C VAL A 70 -8.307 1.167 4.436 1.00 9.22 C ATOM 1118 O VAL A 70 -7.699 1.878 3.623 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.569 1.435 6.813 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.954 0.863 8.065 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.920 2.853 6.568 1.00 8.54 C ATOM 0 H VAL A 70 -5.676 0.998 4.773 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.979 -0.459 5.884 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.643 1.553 6.959 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.026 1.593 8.872 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.485 -0.045 8.349 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.906 0.628 7.881 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.994 3.449 7.478 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.871 2.731 6.298 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.447 3.359 5.759 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.616 0.903 4.292 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.428 1.268 3.141 1.00 16.06 C ATOM 1133 C LEU A 71 -11.375 2.410 3.365 1.00 18.09 C ATOM 1134 O LEU A 71 -12.067 2.472 4.413 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.051 0.020 2.432 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.080 -1.157 2.107 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.881 -2.310 1.468 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.018 -0.676 1.179 1.00 19.57 C ATOM 0 H LEU A 71 -10.150 0.410 5.008 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.730 1.693 2.420 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.853 -0.364 3.062 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.509 0.351 1.500 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.608 -1.520 3.020 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.209 -3.136 1.238 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.648 -2.649 2.164 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.353 -1.960 0.550 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.337 -1.496 0.949 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.476 -0.315 0.258 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.463 0.135 1.650 1.00 19.57 H new