USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 Set 1.1: A 7 THR OG1 : rot 180:sc= 0.0442 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0896) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.62 (180deg=1.59) USER MOD Single : A 2 GLN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 0.826 (180deg=-0.918!) 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= 0.0229 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 0.601 (180deg=-1.12!) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.89 (180deg=1.75) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.35 (180deg=-0.108) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 GLN : amide:sc= 0.661 K(o=0.66,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 55 THR OG1 : rot -51:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.412 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -151:sc= 0.0396 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0548 K(o=-0.055,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.424 -7.223 -4.789 1.00 9.67 N ATOM 2 CA MET A 1 11.328 -7.690 -3.360 1.00 10.38 C ATOM 3 C MET A 1 9.935 -7.943 -2.969 1.00 9.62 C ATOM 4 O MET A 1 9.017 -7.463 -3.681 1.00 9.62 O ATOM 5 CB MET A 1 11.935 -6.601 -2.418 1.00 13.77 C ATOM 6 CG MET A 1 11.109 -5.317 -2.151 1.00 16.29 C ATOM 7 SD MET A 1 12.023 -4.087 -1.185 1.00 17.17 S ATOM 8 CE MET A 1 10.789 -2.748 -1.237 1.00 16.11 C ATOM 0 H1 MET A 1 12.424 -7.151 -5.064 1.00 9.67 H new ATOM 0 H2 MET A 1 10.942 -7.904 -5.410 1.00 9.67 H new ATOM 0 H3 MET A 1 10.972 -6.291 -4.881 1.00 9.67 H new ATOM 0 HA MET A 1 11.883 -8.624 -3.271 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.140 -7.070 -1.456 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.895 -6.298 -2.836 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.811 -4.877 -3.103 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.194 -5.582 -1.622 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.225 -1.835 -0.832 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.482 -2.576 -2.269 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.920 -3.030 -0.642 1.00 16.11 H new ATOM 20 N GLN A 2 9.653 -8.753 -1.948 1.00 9.27 N ATOM 21 CA GLN A 2 8.308 -9.071 -1.500 1.00 9.07 C ATOM 22 C GLN A 2 8.069 -8.336 -0.209 1.00 8.72 C ATOM 23 O GLN A 2 8.896 -8.324 0.677 1.00 8.22 O ATOM 24 CB GLN A 2 8.144 -10.591 -1.192 1.00 14.46 C ATOM 25 CG GLN A 2 7.663 -11.380 -2.351 1.00 17.01 C ATOM 26 CD GLN A 2 7.876 -12.935 -2.227 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.673 -13.571 -2.918 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.123 -13.573 -1.316 1.00 19.49 N ATOM 0 H GLN A 2 10.377 -9.216 -1.399 1.00 9.27 H new ATOM 0 HA GLN A 2 7.610 -8.789 -2.288 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.102 -10.992 -0.862 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.445 -10.713 -0.364 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.600 -11.183 -2.490 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.172 -11.028 -3.248 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.462 -13.048 -0.743 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.212 -14.582 -1.197 1.00 19.49 H new ATOM 37 N ILE A 3 6.935 -7.745 -0.111 1.00 5.87 N ATOM 38 CA ILE A 3 6.444 -7.079 1.074 1.00 5.07 C ATOM 39 C ILE A 3 5.044 -7.495 1.318 1.00 4.01 C ATOM 40 O ILE A 3 4.479 -8.095 0.447 1.00 4.61 O ATOM 41 CB ILE A 3 6.509 -5.496 1.060 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.587 -4.740 0.078 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.978 -5.067 0.863 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.474 -3.273 0.348 1.00 10.83 C ATOM 0 H ILE A 3 6.277 -7.702 -0.889 1.00 5.87 H new ATOM 0 HA ILE A 3 7.121 -7.388 1.870 1.00 5.07 H new ATOM 0 HB ILE A 3 6.106 -5.199 2.028 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.960 -4.884 -0.936 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.592 -5.183 0.118 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.041 -3.979 0.851 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.584 -5.456 1.681 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.349 -5.462 -0.083 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.809 -2.818 -0.386 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.071 -3.117 1.349 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.460 -2.813 0.278 1.00 10.83 H new ATOM 56 N PHE A 4 4.538 -7.306 2.553 1.00 4.55 N ATOM 57 CA PHE A 4 3.228 -7.813 3.033 1.00 4.68 C ATOM 58 C PHE A 4 2.316 -6.604 3.315 1.00 5.30 C ATOM 59 O PHE A 4 2.659 -5.509 3.706 1.00 5.58 O ATOM 60 CB PHE A 4 3.337 -8.699 4.362 1.00 4.83 C ATOM 61 CG PHE A 4 4.460 -9.654 4.213 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.495 -10.466 3.085 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.440 -9.873 5.203 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.468 -11.489 2.939 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.354 -10.865 5.078 1.00 10.61 C ATOM 66 CZ PHE A 4 6.469 -11.608 3.885 1.00 8.90 C ATOM 0 H PHE A 4 5.041 -6.781 3.268 1.00 4.55 H new ATOM 0 HA PHE A 4 2.823 -8.460 2.254 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.499 -8.059 5.229 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.405 -9.237 4.533 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.766 -10.315 2.303 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.462 -9.238 6.077 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.427 -12.166 2.099 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.007 -11.091 5.908 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.318 -12.254 3.715 1.00 8.90 H new ATOM 76 N VAL A 5 1.041 -6.782 3.103 1.00 4.44 N ATOM 77 CA VAL A 5 -0.039 -5.854 3.528 1.00 3.87 C ATOM 78 C VAL A 5 -0.955 -6.646 4.464 1.00 4.93 C ATOM 79 O VAL A 5 -1.473 -7.709 4.131 1.00 6.84 O ATOM 80 CB VAL A 5 -0.886 -5.329 2.352 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.207 -4.825 2.706 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.034 -4.274 1.574 1.00 9.13 C ATOM 0 H VAL A 5 0.684 -7.602 2.612 1.00 4.44 H new ATOM 0 HA VAL A 5 0.418 -4.985 4.002 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.122 -6.181 1.715 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.718 -4.481 1.807 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.788 -5.622 3.171 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.104 -3.995 3.405 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.612 -3.887 0.735 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.229 -3.454 2.243 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.876 -4.745 1.201 1.00 9.13 H new ATOM 92 N LYS A 6 -1.118 -6.137 5.671 1.00 6.04 N ATOM 93 CA LYS A 6 -2.134 -6.617 6.599 1.00 6.12 C ATOM 94 C LYS A 6 -3.376 -5.684 6.630 1.00 6.57 C ATOM 95 O LYS A 6 -3.288 -4.467 6.772 1.00 5.76 O ATOM 96 CB LYS A 6 -1.592 -6.924 8.039 1.00 7.45 C ATOM 97 CG LYS A 6 -0.614 -8.089 8.213 1.00 11.12 C ATOM 98 CD LYS A 6 -0.585 -8.590 9.670 1.00 14.54 C ATOM 99 CE LYS A 6 0.456 -9.605 10.079 1.00 18.84 C ATOM 100 NZ LYS A 6 0.151 -10.272 11.378 1.00 20.55 N ATOM 0 H LYS A 6 -0.549 -5.375 6.040 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.453 -7.581 6.204 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.105 -6.022 8.410 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.450 -7.111 8.684 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.900 -8.907 7.552 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.386 -7.773 7.916 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.465 -7.719 10.314 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.564 -9.017 9.890 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.540 -10.363 9.300 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.426 -9.112 10.150 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.902 -10.956 11.602 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.098 -9.557 12.131 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.760 -10.769 11.308 1.00 20.55 H new ATOM 114 N THR A 7 -4.545 -6.310 6.475 1.00 7.41 N ATOM 115 CA THR A 7 -5.841 -5.603 6.343 1.00 7.48 C ATOM 116 C THR A 7 -6.492 -5.301 7.674 1.00 8.75 C ATOM 117 O THR A 7 -6.053 -5.847 8.680 1.00 8.58 O ATOM 118 CB THR A 7 -6.822 -6.354 5.365 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.115 -7.661 5.828 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.170 -6.542 4.005 1.00 9.17 C ATOM 0 H THR A 7 -4.630 -7.326 6.436 1.00 7.41 H new ATOM 0 HA THR A 7 -5.612 -4.636 5.896 1.00 7.48 H new ATOM 0 HB THR A 7 -7.725 -5.746 5.309 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.727 -8.101 5.201 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.859 -7.062 3.340 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.923 -5.568 3.582 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.259 -7.131 4.116 1.00 9.17 H new ATOM 128 N LEU A 8 -7.647 -4.550 7.711 1.00 9.84 N ATOM 129 CA LEU A 8 -8.322 -4.206 8.993 1.00 14.15 C ATOM 130 C LEU A 8 -8.679 -5.446 9.764 1.00 17.37 C ATOM 131 O LEU A 8 -8.392 -5.679 10.941 1.00 17.01 O ATOM 132 CB LEU A 8 -9.485 -3.285 8.638 1.00 16.63 C ATOM 133 CG LEU A 8 -10.259 -2.622 9.768 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.333 -3.546 10.358 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.239 -2.127 10.913 1.00 18.59 C ATOM 0 H LEU A 8 -8.112 -4.184 6.881 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.672 -3.668 9.683 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.098 -2.495 7.994 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.194 -3.861 8.044 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.780 -1.760 9.352 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.858 -3.028 11.161 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.043 -3.822 9.579 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.862 -4.445 10.754 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.799 -1.653 11.719 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.691 -2.983 11.306 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.536 -1.410 10.489 1.00 18.59 H new ATOM 147 N THR A 9 -9.239 -6.439 9.032 1.00 18.33 N ATOM 148 CA THR A 9 -9.719 -7.724 9.539 1.00 19.24 C ATOM 149 C THR A 9 -8.557 -8.702 9.685 1.00 19.48 C ATOM 150 O THR A 9 -8.717 -9.818 10.157 1.00 23.14 O ATOM 151 CB THR A 9 -10.794 -8.316 8.648 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.386 -8.341 7.263 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.080 -7.462 8.663 1.00 19.70 C ATOM 0 H THR A 9 -9.369 -6.350 8.024 1.00 18.33 H new ATOM 0 HA THR A 9 -10.164 -7.546 10.518 1.00 19.24 H new ATOM 0 HB THR A 9 -10.965 -9.319 9.040 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.102 -8.730 6.718 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.827 -7.918 8.013 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.469 -7.407 9.680 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.854 -6.457 8.307 1.00 19.70 H new ATOM 161 N GLY A 10 -7.343 -8.284 9.348 1.00 19.43 N ATOM 162 CA GLY A 10 -6.158 -9.136 9.575 1.00 18.74 C ATOM 163 C GLY A 10 -5.951 -10.308 8.585 1.00 17.62 C ATOM 164 O GLY A 10 -5.275 -11.280 8.906 1.00 19.74 O ATOM 0 H GLY A 10 -7.143 -7.378 8.923 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.271 -8.503 9.544 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.221 -9.547 10.582 1.00 18.74 H new ATOM 168 N LYS A 11 -6.458 -10.206 7.347 1.00 13.56 N ATOM 169 CA LYS A 11 -5.967 -11.010 6.269 1.00 11.91 C ATOM 170 C LYS A 11 -4.600 -10.430 5.807 1.00 10.18 C ATOM 171 O LYS A 11 -4.227 -9.293 6.132 1.00 9.10 O ATOM 172 CB LYS A 11 -6.948 -10.937 5.071 1.00 13.43 C ATOM 173 CG LYS A 11 -6.797 -12.064 3.999 1.00 16.69 C ATOM 174 CD LYS A 11 -7.984 -12.073 2.999 1.00 17.92 C ATOM 175 CE LYS A 11 -7.780 -11.119 1.788 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.907 -11.084 0.887 1.00 21.93 N ATOM 0 H LYS A 11 -7.209 -9.566 7.089 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.865 -12.043 6.602 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.967 -10.964 5.458 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.819 -9.973 4.578 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.864 -11.924 3.454 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.733 -13.032 4.496 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.131 -13.088 2.631 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.895 -11.789 3.526 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.589 -10.111 2.157 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.893 -11.430 1.236 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.568 -11.141 -0.095 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.534 -11.890 1.084 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.432 -10.196 1.021 1.00 21.93 H new ATOM 190 N THR A 12 -3.720 -11.197 5.121 1.00 9.63 N ATOM 191 CA THR A 12 -2.447 -10.751 4.654 1.00 9.85 C ATOM 192 C THR A 12 -2.373 -11.044 3.147 1.00 11.66 C ATOM 193 O THR A 12 -2.877 -12.088 2.676 1.00 12.33 O ATOM 194 CB THR A 12 -1.162 -11.431 5.289 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.246 -11.383 6.732 1.00 10.91 O ATOM 196 CG2 THR A 12 0.155 -10.759 4.877 1.00 9.63 C ATOM 0 H THR A 12 -3.912 -12.171 4.885 1.00 9.63 H new ATOM 0 HA THR A 12 -2.409 -9.700 4.940 1.00 9.85 H new ATOM 0 HB THR A 12 -1.151 -12.455 4.915 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.451 -11.805 7.120 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.991 -11.276 5.348 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.264 -10.806 3.793 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.147 -9.717 5.196 1.00 9.63 H new ATOM 204 N ILE A 13 -1.748 -10.197 2.337 1.00 10.42 N ATOM 205 CA ILE A 13 -1.394 -10.419 0.971 1.00 11.84 C ATOM 206 C ILE A 13 0.039 -10.028 0.819 1.00 10.55 C ATOM 207 O ILE A 13 0.633 -9.254 1.591 1.00 11.92 O ATOM 208 CB ILE A 13 -2.289 -9.629 -0.049 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.303 -8.082 0.177 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.730 -10.189 0.042 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.989 -7.362 -0.994 1.00 16.46 C ATOM 0 H ILE A 13 -1.461 -9.272 2.658 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.556 -11.471 0.737 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.860 -9.774 -1.040 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.824 -7.851 1.106 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.282 -7.717 0.285 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.373 -9.656 -0.658 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.724 -11.250 -0.207 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.109 -10.056 1.055 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.986 -6.287 -0.812 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.451 -7.576 -1.918 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.018 -7.712 -1.084 1.00 16.46 H new ATOM 223 N THR A 14 0.663 -10.611 -0.235 1.00 9.39 N ATOM 224 CA THR A 14 2.078 -10.565 -0.458 1.00 9.63 C ATOM 225 C THR A 14 2.222 -9.888 -1.821 1.00 11.20 C ATOM 226 O THR A 14 1.618 -10.325 -2.756 1.00 11.63 O ATOM 227 CB THR A 14 2.643 -11.973 -0.486 1.00 10.38 C ATOM 228 OG1 THR A 14 2.431 -12.626 0.766 1.00 16.30 O ATOM 229 CG2 THR A 14 4.140 -11.968 -0.734 1.00 11.66 C ATOM 0 H THR A 14 0.160 -11.131 -0.954 1.00 9.39 H new ATOM 0 HA THR A 14 2.617 -10.029 0.323 1.00 9.63 H new ATOM 0 HB THR A 14 2.129 -12.496 -1.293 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.800 -13.533 0.729 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.510 -12.993 -0.748 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.348 -11.494 -1.693 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.639 -11.413 0.061 1.00 11.66 H new ATOM 237 N LEU A 15 3.057 -8.868 -1.952 1.00 8.29 N ATOM 238 CA LEU A 15 3.250 -7.990 -3.138 1.00 9.03 C ATOM 239 C LEU A 15 4.663 -8.099 -3.627 1.00 8.59 C ATOM 240 O LEU A 15 5.565 -8.109 -2.816 1.00 7.79 O ATOM 241 CB LEU A 15 2.902 -6.546 -2.744 1.00 11.08 C ATOM 242 CG LEU A 15 1.478 -6.315 -2.171 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.396 -4.871 -1.624 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.312 -6.510 -3.196 1.00 15.27 C ATOM 0 H LEU A 15 3.672 -8.597 -1.185 1.00 8.29 H new ATOM 0 HA LEU A 15 2.594 -8.300 -3.951 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.628 -6.209 -2.004 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.025 -5.912 -3.622 1.00 11.08 H new ATOM 0 HG LEU A 15 1.341 -7.074 -1.401 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.401 -4.692 -1.217 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.139 -4.737 -0.838 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.591 -4.165 -2.431 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.642 -6.327 -2.701 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.433 -5.809 -4.022 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.332 -7.530 -3.580 1.00 15.27 H new ATOM 256 N GLU A 16 4.887 -8.061 -4.938 1.00 11.04 N ATOM 257 CA GLU A 16 6.223 -8.106 -5.533 1.00 11.50 C ATOM 258 C GLU A 16 6.424 -6.768 -6.073 1.00 10.13 C ATOM 259 O GLU A 16 5.605 -6.412 -6.962 1.00 9.83 O ATOM 260 CB GLU A 16 6.235 -9.205 -6.639 1.00 17.22 C ATOM 261 CG GLU A 16 7.564 -9.403 -7.463 1.00 23.33 C ATOM 262 CD GLU A 16 8.853 -9.693 -6.640 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.018 -10.866 -6.084 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.718 -8.805 -6.564 1.00 28.90 O ATOM 0 H GLU A 16 4.137 -7.997 -5.627 1.00 11.04 H new ATOM 0 HA GLU A 16 7.020 -8.360 -4.834 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.988 -10.157 -6.168 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.434 -8.980 -7.344 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.413 -10.226 -8.162 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.734 -8.506 -8.058 1.00 23.33 H new ATOM 271 N VAL A 17 7.379 -6.019 -5.482 1.00 8.99 N ATOM 272 CA VAL A 17 7.481 -4.586 -5.666 1.00 8.85 C ATOM 273 C VAL A 17 8.919 -4.120 -5.632 1.00 8.04 C ATOM 274 O VAL A 17 9.729 -4.874 -5.116 1.00 8.99 O ATOM 275 CB VAL A 17 6.813 -3.775 -4.561 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.303 -3.749 -4.809 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.183 -4.280 -3.162 1.00 10.54 C ATOM 0 H VAL A 17 8.094 -6.407 -4.866 1.00 8.99 H new ATOM 0 HA VAL A 17 6.994 -4.422 -6.627 1.00 8.85 H new ATOM 0 HB VAL A 17 7.185 -2.751 -4.593 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.815 -3.171 -4.024 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.101 -3.289 -5.777 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.916 -4.768 -4.803 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.682 -3.670 -2.411 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.868 -5.318 -3.055 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.262 -4.212 -3.024 1.00 10.54 H new ATOM 287 N GLU A 18 9.340 -2.984 -6.222 1.00 7.29 N ATOM 288 CA GLU A 18 10.714 -2.548 -6.198 1.00 7.08 C ATOM 289 C GLU A 18 10.852 -1.310 -5.344 1.00 6.45 C ATOM 290 O GLU A 18 9.863 -0.582 -5.206 1.00 5.28 O ATOM 291 CB GLU A 18 11.257 -2.238 -7.642 1.00 10.28 C ATOM 292 CG GLU A 18 11.601 -3.470 -8.512 1.00 12.65 C ATOM 293 CD GLU A 18 12.524 -4.479 -7.835 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.672 -4.050 -7.559 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.099 -5.597 -7.629 1.00 18.17 O ATOM 0 H GLU A 18 8.718 -2.353 -6.727 1.00 7.29 H new ATOM 0 HA GLU A 18 11.303 -3.363 -5.777 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.512 -1.641 -8.169 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.151 -1.622 -7.549 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.675 -3.973 -8.791 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.070 -3.129 -9.435 1.00 12.65 H new ATOM 302 N PRO A 19 11.977 -0.976 -4.782 1.00 7.24 N ATOM 303 CA PRO A 19 12.200 0.383 -4.177 1.00 7.07 C ATOM 304 C PRO A 19 11.813 1.551 -5.055 1.00 6.65 C ATOM 305 O PRO A 19 11.487 2.590 -4.523 1.00 6.37 O ATOM 306 CB PRO A 19 13.718 0.382 -3.876 1.00 7.61 C ATOM 307 CG PRO A 19 14.316 -0.669 -4.819 1.00 8.16 C ATOM 308 CD PRO A 19 13.179 -1.745 -4.963 1.00 7.49 C ATOM 0 HA PRO A 19 11.562 0.528 -3.305 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.155 1.365 -4.054 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.912 0.131 -2.833 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.579 -0.235 -5.784 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.226 -1.104 -4.406 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.204 -2.230 -5.939 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.271 -2.531 -4.214 1.00 7.49 H new ATOM 316 N SER A 20 11.737 1.421 -6.404 1.00 6.80 N ATOM 317 CA SER A 20 11.499 2.453 -7.347 1.00 6.28 C ATOM 318 C SER A 20 10.061 2.533 -7.778 1.00 8.45 C ATOM 319 O SER A 20 9.688 3.276 -8.691 1.00 7.26 O ATOM 320 CB SER A 20 12.378 2.192 -8.586 1.00 8.57 C ATOM 321 OG SER A 20 12.163 0.860 -9.099 1.00 11.13 O ATOM 0 H SER A 20 11.854 0.514 -6.855 1.00 6.80 H new ATOM 0 HA SER A 20 11.744 3.401 -6.869 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.150 2.925 -9.360 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.429 2.320 -8.325 1.00 8.57 H new ATOM 0 HG SER A 20 12.730 0.717 -9.886 1.00 11.13 H new ATOM 327 N ASP A 21 9.178 1.673 -7.196 1.00 7.50 N ATOM 328 CA ASP A 21 7.746 1.639 -7.535 1.00 7.70 C ATOM 329 C ASP A 21 6.858 2.642 -6.770 1.00 7.08 C ATOM 330 O ASP A 21 6.897 2.708 -5.526 1.00 8.11 O ATOM 331 CB ASP A 21 7.053 0.226 -7.337 1.00 11.00 C ATOM 332 CG ASP A 21 7.188 -0.812 -8.442 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.711 -0.532 -9.565 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.742 -1.998 -8.169 1.00 18.03 O ATOM 0 H ASP A 21 9.447 0.993 -6.485 1.00 7.50 H new ATOM 0 HA ASP A 21 7.795 1.909 -8.590 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.450 -0.212 -6.421 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.989 0.399 -7.173 1.00 11.00 H new ATOM 339 N THR A 22 6.064 3.433 -7.542 1.00 5.37 N ATOM 340 CA THR A 22 5.112 4.436 -6.986 1.00 6.01 C ATOM 341 C THR A 22 4.071 3.827 -6.139 1.00 8.01 C ATOM 342 O THR A 22 3.580 2.690 -6.367 1.00 8.11 O ATOM 343 CB THR A 22 4.440 5.342 -7.968 1.00 8.92 C ATOM 344 OG1 THR A 22 3.716 4.631 -9.068 1.00 10.22 O ATOM 345 CG2 THR A 22 5.442 6.311 -8.544 1.00 9.65 C ATOM 0 H THR A 22 6.065 3.394 -8.561 1.00 5.37 H new ATOM 0 HA THR A 22 5.783 5.060 -6.395 1.00 6.01 H new ATOM 0 HB THR A 22 3.673 5.876 -7.407 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.303 5.288 -9.666 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.945 6.967 -9.258 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.873 6.909 -7.741 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.234 5.758 -9.050 1.00 9.65 H new ATOM 353 N ILE A 23 3.620 4.532 -5.071 1.00 8.32 N ATOM 354 CA ILE A 23 2.514 4.106 -4.222 1.00 9.92 C ATOM 355 C ILE A 23 1.228 3.884 -4.952 1.00 10.01 C ATOM 356 O ILE A 23 0.582 2.862 -4.810 1.00 8.71 O ATOM 357 CB ILE A 23 2.212 4.996 -2.962 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.491 5.135 -2.135 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.055 4.395 -2.140 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.114 3.933 -1.401 1.00 12.30 C ATOM 0 H ILE A 23 4.029 5.421 -4.784 1.00 8.32 H new ATOM 0 HA ILE A 23 2.907 3.155 -3.862 1.00 9.92 H new ATOM 0 HB ILE A 23 1.893 5.990 -3.275 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.257 5.529 -2.802 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.299 5.900 -1.382 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.860 5.025 -1.272 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.159 4.342 -2.758 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.327 3.393 -1.808 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.014 4.254 -0.877 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.398 3.535 -0.682 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.371 3.159 -2.124 1.00 12.30 H new ATOM 372 N GLU A 24 0.978 4.771 -5.943 1.00 9.54 N ATOM 373 CA GLU A 24 -0.053 4.653 -6.919 1.00 11.81 C ATOM 374 C GLU A 24 -0.003 3.318 -7.643 1.00 11.14 C ATOM 375 O GLU A 24 -1.018 2.585 -7.841 1.00 10.62 O ATOM 376 CB GLU A 24 0.281 5.847 -7.889 1.00 19.24 C ATOM 377 CG GLU A 24 -0.722 5.936 -9.077 1.00 27.76 C ATOM 378 CD GLU A 24 -0.732 7.293 -9.725 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.333 7.773 -10.183 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.831 7.880 -9.846 1.00 34.80 O ATOM 0 H GLU A 24 1.534 5.618 -6.062 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.057 4.692 -6.497 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.264 6.783 -7.330 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.292 5.726 -8.277 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.464 5.183 -9.822 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.725 5.701 -8.720 1.00 27.76 H new ATOM 387 N ASN A 25 1.197 2.872 -8.022 1.00 9.43 N ATOM 388 CA ASN A 25 1.334 1.592 -8.714 1.00 10.96 C ATOM 389 C ASN A 25 1.178 0.403 -7.719 1.00 9.68 C ATOM 390 O ASN A 25 0.606 -0.701 -7.953 1.00 9.33 O ATOM 391 CB ASN A 25 2.690 1.685 -9.536 1.00 16.78 C ATOM 392 CG ASN A 25 3.057 0.346 -10.242 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.888 -0.443 -9.777 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.441 0.124 -11.420 1.00 24.70 N ATOM 0 H ASN A 25 2.073 3.370 -7.864 1.00 9.43 H new ATOM 0 HA ASN A 25 0.539 1.386 -9.430 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.604 2.474 -10.284 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.499 1.970 -8.864 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.655 -0.716 -11.957 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.760 0.796 -11.774 1.00 24.70 H new ATOM 401 N VAL A 26 1.666 0.611 -6.471 1.00 6.52 N ATOM 402 CA VAL A 26 1.450 -0.460 -5.469 1.00 5.53 C ATOM 403 C VAL A 26 -0.055 -0.668 -5.175 1.00 4.42 C ATOM 404 O VAL A 26 -0.515 -1.775 -5.104 1.00 3.40 O ATOM 405 CB VAL A 26 2.191 -0.202 -4.217 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.881 -1.121 -3.085 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.753 -0.165 -4.417 1.00 8.12 C ATOM 0 H VAL A 26 2.171 1.438 -6.152 1.00 6.52 H new ATOM 0 HA VAL A 26 1.842 -1.379 -5.905 1.00 5.53 H new ATOM 0 HB VAL A 26 1.827 0.787 -3.940 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.479 -0.843 -2.217 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.823 -1.047 -2.836 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.115 -2.146 -3.374 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.238 0.028 -3.460 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.092 -1.124 -4.809 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.011 0.626 -5.121 1.00 8.12 H new ATOM 417 N LYS A 27 -0.820 0.437 -5.115 1.00 2.64 N ATOM 418 CA LYS A 27 -2.279 0.351 -5.064 1.00 4.14 C ATOM 419 C LYS A 27 -2.942 -0.306 -6.201 1.00 5.58 C ATOM 420 O LYS A 27 -3.934 -1.048 -6.042 1.00 4.11 O ATOM 421 CB LYS A 27 -2.962 1.701 -4.694 1.00 3.97 C ATOM 422 CG LYS A 27 -2.691 2.327 -3.321 1.00 7.45 C ATOM 423 CD LYS A 27 -3.397 3.668 -2.986 1.00 9.02 C ATOM 424 CE LYS A 27 -2.957 4.809 -3.800 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.624 6.095 -3.409 1.00 15.47 N ATOM 0 H LYS A 27 -0.451 1.388 -5.101 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.436 -0.343 -4.238 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.674 2.432 -5.450 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.039 1.558 -4.782 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.974 1.600 -2.560 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.616 2.482 -3.230 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.472 3.540 -3.114 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.227 3.901 -1.935 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.877 4.922 -3.705 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.165 4.602 -4.850 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.734 6.698 -4.249 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.560 5.891 -3.004 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.041 6.588 -2.703 1.00 15.47 H new ATOM 439 N ALA A 28 -2.424 -0.211 -7.451 1.00 6.61 N ATOM 440 CA ALA A 28 -2.938 -0.876 -8.621 1.00 7.74 C ATOM 441 C ALA A 28 -2.630 -2.390 -8.555 1.00 9.17 C ATOM 442 O ALA A 28 -3.428 -3.253 -9.002 1.00 11.45 O ATOM 443 CB ALA A 28 -2.487 -0.291 -9.927 1.00 7.68 C ATOM 0 H ALA A 28 -1.604 0.360 -7.654 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.016 -0.716 -8.601 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.924 -0.857 -10.750 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.809 0.749 -9.990 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.400 -0.339 -9.991 1.00 7.68 H new ATOM 449 N LYS A 29 -1.511 -2.755 -7.990 1.00 8.96 N ATOM 450 CA LYS A 29 -1.105 -4.151 -7.703 1.00 7.90 C ATOM 451 C LYS A 29 -1.953 -4.836 -6.656 1.00 6.92 C ATOM 452 O LYS A 29 -2.311 -6.032 -6.813 1.00 6.87 O ATOM 453 CB LYS A 29 0.377 -4.140 -7.240 1.00 10.28 C ATOM 454 CG LYS A 29 1.380 -4.130 -8.392 1.00 14.94 C ATOM 455 CD LYS A 29 2.835 -3.810 -8.036 1.00 19.69 C ATOM 456 CE LYS A 29 3.795 -3.961 -9.193 1.00 22.63 C ATOM 457 NZ LYS A 29 5.179 -4.064 -8.781 1.00 24.98 N ATOM 0 H LYS A 29 -0.810 -2.076 -7.695 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.243 -4.722 -8.621 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.547 -3.263 -6.615 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.561 -5.016 -6.618 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.355 -5.108 -8.873 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.043 -3.403 -9.130 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.891 -2.788 -7.661 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.153 -4.465 -7.225 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.527 -4.849 -9.765 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.685 -3.107 -9.861 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.779 -4.216 -9.616 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.466 -3.185 -8.304 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.288 -4.865 -8.126 1.00 24.98 H new ATOM 471 N ILE A 30 -2.359 -4.060 -5.640 1.00 4.57 N ATOM 472 CA ILE A 30 -3.417 -4.432 -4.684 1.00 5.58 C ATOM 473 C ILE A 30 -4.845 -4.606 -5.254 1.00 7.26 C ATOM 474 O ILE A 30 -5.506 -5.607 -4.968 1.00 9.46 O ATOM 475 CB ILE A 30 -3.368 -3.470 -3.546 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.990 -3.466 -2.840 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.514 -3.768 -2.543 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.830 -2.277 -1.887 1.00 2.00 C ATOM 0 H ILE A 30 -1.956 -3.141 -5.455 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.195 -5.447 -4.356 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.510 -2.469 -3.953 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.867 -4.395 -2.283 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.200 -3.437 -3.590 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.468 -3.059 -1.716 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.475 -3.673 -3.049 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.406 -4.782 -2.158 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.848 -2.318 -1.416 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.925 -1.347 -2.447 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.603 -2.319 -1.119 1.00 2.00 H new ATOM 490 N GLN A 31 -5.330 -3.717 -6.151 1.00 7.06 N ATOM 491 CA GLN A 31 -6.521 -3.961 -6.990 1.00 8.67 C ATOM 492 C GLN A 31 -6.361 -5.196 -7.794 1.00 10.90 C ATOM 493 O GLN A 31 -7.284 -5.939 -7.980 1.00 9.63 O ATOM 494 CB GLN A 31 -6.665 -2.748 -7.914 1.00 9.12 C ATOM 495 CG GLN A 31 -7.992 -2.855 -8.722 1.00 10.76 C ATOM 496 CD GLN A 31 -8.194 -1.784 -9.781 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.245 -1.140 -9.731 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.222 -1.471 -10.655 1.00 14.76 N ATOM 0 H GLN A 31 -4.902 -2.805 -6.312 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.405 -4.095 -6.367 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.659 -1.830 -7.327 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.816 -2.696 -8.596 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.027 -3.832 -9.205 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.828 -2.815 -8.024 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.361 -2.018 -10.678 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.345 -0.686 -11.295 1.00 14.76 H new ATOM 507 N ASP A 32 -5.172 -5.547 -8.338 1.00 10.93 N ATOM 508 CA ASP A 32 -5.033 -6.816 -9.027 1.00 14.01 C ATOM 509 C ASP A 32 -5.217 -8.047 -8.114 1.00 14.04 C ATOM 510 O ASP A 32 -5.902 -9.020 -8.450 1.00 13.39 O ATOM 511 CB ASP A 32 -3.633 -6.944 -9.699 1.00 18.01 C ATOM 512 CG ASP A 32 -3.534 -7.857 -10.859 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.272 -7.655 -11.873 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.669 -8.801 -10.862 1.00 25.17 O ATOM 0 H ASP A 32 -4.327 -4.976 -8.307 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.831 -6.810 -9.769 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.317 -5.951 -10.019 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.922 -7.276 -8.943 1.00 18.01 H new ATOM 519 N LYS A 33 -4.642 -8.032 -6.892 1.00 14.22 N ATOM 520 CA LYS A 33 -4.868 -8.978 -5.841 1.00 14.00 C ATOM 521 C LYS A 33 -6.258 -9.112 -5.257 1.00 12.37 C ATOM 522 O LYS A 33 -6.696 -10.210 -5.000 1.00 12.17 O ATOM 523 CB LYS A 33 -3.902 -8.691 -4.653 1.00 18.62 C ATOM 524 CG LYS A 33 -2.454 -8.732 -5.111 1.00 24.00 C ATOM 525 CD LYS A 33 -1.829 -10.143 -5.046 1.00 27.61 C ATOM 526 CE LYS A 33 -0.336 -10.080 -5.451 1.00 27.64 C ATOM 527 NZ LYS A 33 0.276 -11.319 -4.913 1.00 30.06 N ATOM 0 H LYS A 33 -3.975 -7.309 -6.624 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.693 -9.921 -6.358 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.125 -7.713 -4.225 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.059 -9.427 -3.865 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.394 -8.363 -6.135 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.866 -8.054 -4.493 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.924 -10.546 -4.038 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.367 -10.819 -5.711 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.226 -10.027 -6.534 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.145 -9.194 -5.038 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.012 -11.655 -5.567 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.702 -11.121 -3.985 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.456 -12.051 -4.810 1.00 30.06 H new ATOM 541 N GLU A 34 -6.884 -7.964 -4.918 1.00 10.11 N ATOM 542 CA GLU A 34 -8.027 -7.851 -4.006 1.00 10.07 C ATOM 543 C GLU A 34 -9.257 -7.187 -4.528 1.00 9.32 C ATOM 544 O GLU A 34 -10.399 -7.149 -3.992 1.00 11.61 O ATOM 545 CB GLU A 34 -7.522 -7.133 -2.766 1.00 14.77 C ATOM 546 CG GLU A 34 -6.747 -8.037 -1.791 1.00 18.75 C ATOM 547 CD GLU A 34 -7.704 -9.002 -1.046 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.553 -8.519 -0.207 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.802 -10.178 -1.402 1.00 21.95 O ATOM 0 H GLU A 34 -6.591 -7.061 -5.290 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.374 -8.867 -3.818 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.877 -6.310 -3.073 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.371 -6.694 -2.242 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.000 -8.611 -2.338 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.210 -7.422 -1.069 1.00 18.75 H new ATOM 556 N GLY A 35 -9.123 -6.724 -5.799 1.00 7.22 N ATOM 557 CA GLY A 35 -10.172 -6.152 -6.649 1.00 6.29 C ATOM 558 C GLY A 35 -10.568 -4.691 -6.330 1.00 6.93 C ATOM 559 O GLY A 35 -11.210 -4.015 -7.128 1.00 7.41 O ATOM 0 H GLY A 35 -8.221 -6.747 -6.275 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.841 -6.202 -7.686 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.062 -6.777 -6.568 1.00 6.29 H new ATOM 563 N ILE A 36 -10.090 -4.160 -5.144 1.00 5.86 N ATOM 564 CA ILE A 36 -10.553 -2.865 -4.636 1.00 6.07 C ATOM 565 C ILE A 36 -9.931 -1.708 -5.471 1.00 6.36 C ATOM 566 O ILE A 36 -8.696 -1.678 -5.637 1.00 6.18 O ATOM 567 CB ILE A 36 -10.110 -2.727 -3.153 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.683 -3.897 -2.315 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.574 -1.364 -2.554 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.827 -4.091 -1.156 1.00 9.49 C ATOM 0 H ILE A 36 -9.398 -4.621 -4.553 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.639 -2.809 -4.714 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.021 -2.761 -3.120 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.703 -3.675 -2.001 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.725 -4.807 -2.913 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.251 -1.294 -1.515 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.135 -0.547 -3.126 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.661 -1.297 -2.601 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.213 -4.912 -0.552 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.816 -4.328 -1.486 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.809 -3.179 -0.560 1.00 9.49 H new ATOM 582 N PRO A 37 -10.739 -0.768 -6.013 1.00 8.65 N ATOM 583 CA PRO A 37 -10.262 0.448 -6.648 1.00 9.18 C ATOM 584 C PRO A 37 -9.062 1.155 -5.867 1.00 9.85 C ATOM 585 O PRO A 37 -9.224 1.305 -4.639 1.00 8.51 O ATOM 586 CB PRO A 37 -11.528 1.333 -6.905 1.00 11.42 C ATOM 587 CG PRO A 37 -12.748 0.394 -6.793 1.00 9.27 C ATOM 588 CD PRO A 37 -12.176 -0.673 -5.759 1.00 8.33 C ATOM 0 HA PRO A 37 -9.780 0.234 -7.602 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.592 2.141 -6.176 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.484 1.796 -7.891 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.635 0.905 -6.418 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.019 -0.055 -7.749 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.369 -0.361 -4.733 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.659 -1.641 -5.894 1.00 8.33 H new ATOM 596 N PRO A 38 -7.970 1.628 -6.400 1.00 8.71 N ATOM 597 CA PRO A 38 -6.981 2.406 -5.640 1.00 9.08 C ATOM 598 C PRO A 38 -7.530 3.713 -5.049 1.00 9.28 C ATOM 599 O PRO A 38 -6.953 4.174 -4.056 1.00 6.50 O ATOM 600 CB PRO A 38 -5.972 2.721 -6.710 1.00 10.31 C ATOM 601 CG PRO A 38 -6.725 2.701 -8.086 1.00 10.81 C ATOM 602 CD PRO A 38 -7.799 1.722 -7.790 1.00 12.00 C ATOM 0 HA PRO A 38 -6.611 1.860 -4.772 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.519 3.697 -6.535 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.165 1.989 -6.704 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.119 3.680 -8.357 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.083 2.378 -8.906 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.731 2.033 -8.262 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.542 0.747 -8.203 1.00 12.00 H new ATOM 610 N ASP A 39 -8.591 4.231 -5.570 1.00 11.20 N ATOM 611 CA ASP A 39 -9.286 5.423 -5.126 1.00 14.96 C ATOM 612 C ASP A 39 -9.794 5.300 -3.657 1.00 13.99 C ATOM 613 O ASP A 39 -9.847 6.260 -2.890 1.00 13.75 O ATOM 614 CB ASP A 39 -10.429 5.747 -6.046 1.00 24.16 C ATOM 615 CG ASP A 39 -10.085 5.752 -7.515 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.607 6.820 -8.004 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.192 4.678 -8.186 1.00 34.22 O ATOM 0 H ASP A 39 -9.041 3.809 -6.382 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.564 6.239 -5.154 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.227 5.024 -5.878 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.825 6.727 -5.778 1.00 24.16 H new ATOM 622 N GLN A 40 -10.161 4.034 -3.262 1.00 11.60 N ATOM 623 CA GLN A 40 -10.678 3.602 -1.995 1.00 10.76 C ATOM 624 C GLN A 40 -9.620 3.072 -1.059 1.00 8.01 C ATOM 625 O GLN A 40 -9.856 2.672 0.073 1.00 8.96 O ATOM 626 CB GLN A 40 -11.805 2.518 -2.095 1.00 11.14 C ATOM 627 CG GLN A 40 -13.032 3.088 -2.793 1.00 14.85 C ATOM 628 CD GLN A 40 -13.978 1.967 -3.309 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.009 0.874 -2.805 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.769 2.363 -4.293 1.00 18.16 N ATOM 0 H GLN A 40 -10.080 3.250 -3.910 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.102 4.521 -1.591 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.437 1.651 -2.644 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.075 2.172 -1.097 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.576 3.733 -2.103 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.717 3.711 -3.630 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.682 3.307 -4.668 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.466 1.724 -4.676 1.00 18.16 H new ATOM 639 N GLN A 41 -8.297 3.072 -1.448 1.00 6.52 N ATOM 640 CA GLN A 41 -7.314 2.366 -0.608 1.00 3.87 C ATOM 641 C GLN A 41 -6.476 3.359 0.207 1.00 4.79 C ATOM 642 O GLN A 41 -5.989 4.399 -0.349 1.00 6.34 O ATOM 643 CB GLN A 41 -6.352 1.601 -1.473 1.00 4.20 C ATOM 644 CG GLN A 41 -7.022 0.412 -2.151 1.00 3.20 C ATOM 645 CD GLN A 41 -6.015 -0.391 -2.963 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.820 -0.269 -2.704 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.349 -1.141 -4.035 1.00 7.13 N ATOM 0 H GLN A 41 -7.925 3.525 -2.282 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.872 1.702 0.052 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.938 2.266 -2.231 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.517 1.250 -0.866 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.482 -0.229 -1.399 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.822 0.764 -2.802 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.330 -1.267 -4.284 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.620 -1.582 -4.596 1.00 7.13 H new ATOM 656 N ARG A 42 -6.195 3.022 1.476 1.00 5.73 N ATOM 657 CA ARG A 42 -5.393 3.864 2.358 1.00 6.97 C ATOM 658 C ARG A 42 -4.265 2.970 3.009 1.00 7.15 C ATOM 659 O ARG A 42 -4.578 1.989 3.686 1.00 7.33 O ATOM 660 CB ARG A 42 -6.241 4.647 3.374 1.00 13.23 C ATOM 661 CG ARG A 42 -5.470 5.666 4.133 1.00 21.27 C ATOM 662 CD ARG A 42 -6.285 6.443 5.179 1.00 26.14 C ATOM 663 NE ARG A 42 -7.229 7.452 4.559 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.314 7.909 5.187 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.577 7.648 6.454 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.133 8.808 4.627 1.00 36.39 N ATOM 0 H ARG A 42 -6.520 2.159 1.912 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.913 4.651 1.776 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.059 5.140 2.849 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.690 3.945 4.077 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.638 5.172 4.635 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.040 6.376 3.427 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.859 5.739 5.782 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.602 6.959 5.854 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.027 7.797 3.621 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.936 7.072 7.000 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.421 8.022 6.887 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.936 9.165 3.692 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.954 9.136 5.135 1.00 36.39 H new ATOM 680 N LEU A 43 -2.991 3.311 2.727 1.00 4.65 N ATOM 681 CA LEU A 43 -1.911 2.566 3.222 1.00 3.51 C ATOM 682 C LEU A 43 -1.195 3.295 4.370 1.00 5.56 C ATOM 683 O LEU A 43 -0.815 4.427 4.258 1.00 4.19 O ATOM 684 CB LEU A 43 -0.899 2.191 2.098 1.00 3.74 C ATOM 685 CG LEU A 43 -1.339 1.194 1.009 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.286 1.120 -0.163 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.604 -0.136 1.726 1.00 6.41 C ATOM 0 H LEU A 43 -2.727 4.110 2.151 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.329 1.640 3.618 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.601 3.114 1.600 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.008 1.785 2.577 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.253 1.506 0.504 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.627 0.408 -0.914 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.179 2.104 -0.619 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.677 0.797 0.233 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.921 -0.884 0.999 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.691 -0.472 2.219 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.388 0.002 2.470 1.00 6.41 H new ATOM 699 N ILE A 44 -0.983 2.574 5.505 1.00 4.58 N ATOM 700 CA ILE A 44 -0.407 3.118 6.711 1.00 5.55 C ATOM 701 C ILE A 44 0.930 2.346 7.103 1.00 5.46 C ATOM 702 O ILE A 44 0.894 1.101 7.294 1.00 6.04 O ATOM 703 CB ILE A 44 -1.338 3.171 7.876 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.679 3.964 7.577 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.652 3.728 9.122 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.577 5.457 7.341 1.00 13.90 C ATOM 0 H ILE A 44 -1.220 1.585 5.582 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.176 4.156 6.471 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.622 2.136 8.068 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.144 3.517 6.699 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.358 3.803 8.414 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.362 3.751 9.949 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.193 3.092 9.387 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.297 4.739 8.921 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.570 5.864 7.150 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.152 5.937 8.223 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.935 5.646 6.480 1.00 13.90 H new ATOM 718 N PHE A 45 2.068 3.019 7.068 1.00 6.75 N ATOM 719 CA PHE A 45 3.343 2.416 7.461 1.00 4.70 C ATOM 720 C PHE A 45 4.118 3.435 8.303 1.00 6.34 C ATOM 721 O PHE A 45 4.425 4.580 7.890 1.00 5.45 O ATOM 722 CB PHE A 45 4.148 1.863 6.249 1.00 5.51 C ATOM 723 CG PHE A 45 5.402 1.253 6.722 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.445 0.056 7.516 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.635 1.787 6.341 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.583 -0.539 7.877 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.817 1.182 6.730 1.00 6.64 C ATOM 728 CZ PHE A 45 7.845 0.001 7.575 1.00 6.84 C ATOM 0 H PHE A 45 2.141 3.992 6.770 1.00 6.75 H new ATOM 0 HA PHE A 45 3.157 1.532 8.071 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.553 1.124 5.712 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.366 2.668 5.547 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.511 -0.383 7.836 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.666 2.681 5.736 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.533 -1.470 8.422 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.753 1.603 6.393 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.765 -0.429 7.943 1.00 6.84 H new ATOM 738 N ALA A 46 4.416 2.951 9.531 1.00 6.53 N ATOM 739 CA ALA A 46 5.128 3.637 10.599 1.00 7.15 C ATOM 740 C ALA A 46 4.400 4.959 10.950 1.00 9.00 C ATOM 741 O ALA A 46 5.039 5.983 11.081 1.00 11.15 O ATOM 742 CB ALA A 46 6.593 3.816 10.195 1.00 8.99 C ATOM 0 H ALA A 46 4.141 2.008 9.806 1.00 6.53 H new ATOM 0 HA ALA A 46 5.130 3.045 11.514 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.130 4.330 10.992 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.045 2.839 10.024 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.649 4.407 9.281 1.00 8.99 H new ATOM 748 N GLY A 47 2.982 4.908 10.965 1.00 9.35 N ATOM 749 CA GLY A 47 2.142 6.068 11.153 1.00 11.68 C ATOM 750 C GLY A 47 1.994 6.956 9.880 1.00 11.14 C ATOM 751 O GLY A 47 1.348 8.027 9.970 1.00 13.93 O ATOM 0 H GLY A 47 2.457 4.042 10.843 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.153 5.740 11.472 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.552 6.674 11.961 1.00 11.68 H new ATOM 755 N LYS A 48 2.517 6.546 8.737 1.00 10.47 N ATOM 756 CA LYS A 48 2.575 7.467 7.613 1.00 8.82 C ATOM 757 C LYS A 48 1.526 6.997 6.623 1.00 7.68 C ATOM 758 O LYS A 48 1.518 5.821 6.239 1.00 6.47 O ATOM 759 CB LYS A 48 3.904 7.513 6.895 1.00 9.74 C ATOM 760 CG LYS A 48 5.112 7.678 7.886 1.00 14.14 C ATOM 761 CD LYS A 48 6.454 7.796 7.267 1.00 16.32 C ATOM 762 CE LYS A 48 7.581 7.700 8.264 1.00 20.04 C ATOM 763 NZ LYS A 48 7.659 8.807 9.214 1.00 23.92 N ATOM 0 H LYS A 48 2.896 5.615 8.564 1.00 10.47 H new ATOM 0 HA LYS A 48 2.412 8.472 8.004 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.034 6.598 6.317 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.903 8.341 6.186 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.937 8.564 8.496 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.120 6.823 8.562 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.572 7.012 6.519 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.522 8.749 6.743 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.475 6.769 8.821 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.524 7.640 7.720 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.461 8.656 9.858 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.794 9.699 8.697 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.778 8.855 9.764 1.00 23.92 H new ATOM 777 N GLN A 49 0.651 7.910 6.273 1.00 8.89 N ATOM 778 CA GLN A 49 -0.357 7.723 5.265 1.00 7.18 C ATOM 779 C GLN A 49 0.258 7.839 3.842 1.00 8.23 C ATOM 780 O GLN A 49 0.453 8.909 3.264 1.00 9.70 O ATOM 781 CB GLN A 49 -1.499 8.726 5.404 1.00 11.67 C ATOM 782 CG GLN A 49 -2.647 8.620 4.378 1.00 15.82 C ATOM 783 CD GLN A 49 -3.674 9.758 4.603 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.824 9.612 5.082 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.283 11.031 4.278 1.00 20.67 N ATOM 0 H GLN A 49 0.623 8.836 6.700 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.762 6.721 5.408 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.924 8.620 6.402 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.079 9.730 5.341 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.246 8.677 3.366 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.140 7.652 4.472 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.356 11.195 3.886 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.919 11.814 4.429 1.00 20.67 H new ATOM 794 N LEU A 50 0.526 6.725 3.203 1.00 6.51 N ATOM 795 CA LEU A 50 1.365 6.675 2.008 1.00 7.41 C ATOM 796 C LEU A 50 0.737 7.336 0.807 1.00 8.27 C ATOM 797 O LEU A 50 -0.362 6.965 0.327 1.00 8.34 O ATOM 798 CB LEU A 50 1.990 5.302 1.585 1.00 7.13 C ATOM 799 CG LEU A 50 2.499 4.498 2.820 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.854 3.085 2.311 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.720 5.023 3.572 1.00 9.11 C ATOM 0 H LEU A 50 0.169 5.814 3.493 1.00 6.51 H new ATOM 0 HA LEU A 50 2.216 7.255 2.365 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.246 4.713 1.048 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.817 5.475 0.897 1.00 7.13 H new ATOM 0 HG LEU A 50 1.688 4.563 3.546 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.217 2.480 3.142 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.967 2.619 1.883 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.629 3.157 1.548 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.950 4.356 4.403 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.573 5.066 2.895 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.510 6.021 3.955 1.00 9.11 H new ATOM 813 N GLU A 51 1.405 8.323 0.264 1.00 9.43 N ATOM 814 CA GLU A 51 0.887 9.243 -0.796 1.00 11.90 C ATOM 815 C GLU A 51 1.291 8.767 -2.162 1.00 11.49 C ATOM 816 O GLU A 51 2.391 8.226 -2.397 1.00 9.88 O ATOM 817 CB GLU A 51 1.430 10.688 -0.467 1.00 16.56 C ATOM 818 CG GLU A 51 0.736 11.839 -1.181 1.00 26.06 C ATOM 819 CD GLU A 51 -0.651 12.069 -0.694 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.745 12.776 0.381 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.668 11.606 -1.326 1.00 33.44 O ATOM 0 H GLU A 51 2.363 8.541 0.538 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.203 9.262 -0.804 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.347 10.850 0.608 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.491 10.721 -0.713 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.319 12.750 -1.045 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.711 11.634 -2.251 1.00 26.06 H new ATOM 828 N ASP A 52 0.364 8.854 -3.160 1.00 12.71 N ATOM 829 CA ASP A 52 0.460 8.216 -4.435 1.00 16.56 C ATOM 830 C ASP A 52 1.805 8.438 -5.231 1.00 15.83 C ATOM 831 O ASP A 52 2.281 7.473 -5.847 1.00 17.21 O ATOM 832 CB ASP A 52 -0.658 8.755 -5.398 1.00 21.05 C ATOM 833 CG ASP A 52 -1.989 8.292 -4.832 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.434 8.694 -3.662 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.660 7.428 -5.477 1.00 25.82 O ATOM 0 H ASP A 52 -0.491 9.401 -3.058 1.00 12.71 H new ATOM 0 HA ASP A 52 0.377 7.160 -4.179 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.622 9.843 -5.460 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.514 8.373 -6.409 1.00 21.05 H new ATOM 840 N GLY A 53 2.329 9.711 -5.322 1.00 15.00 N ATOM 841 CA GLY A 53 3.355 10.082 -6.239 1.00 11.77 C ATOM 842 C GLY A 53 4.823 9.851 -5.826 1.00 11.10 C ATOM 843 O GLY A 53 5.772 10.055 -6.558 1.00 11.25 O ATOM 0 H GLY A 53 2.015 10.482 -4.733 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.182 9.540 -7.169 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.235 11.142 -6.461 1.00 11.77 H new ATOM 847 N ARG A 54 4.947 9.460 -4.560 1.00 8.53 N ATOM 848 CA ARG A 54 6.181 9.008 -3.974 1.00 9.05 C ATOM 849 C ARG A 54 6.445 7.520 -4.190 1.00 8.96 C ATOM 850 O ARG A 54 5.536 6.761 -4.606 1.00 11.60 O ATOM 851 CB ARG A 54 6.309 9.256 -2.394 1.00 7.97 C ATOM 852 CG ARG A 54 5.892 10.604 -1.868 1.00 9.62 C ATOM 853 CD ARG A 54 6.355 10.980 -0.450 1.00 12.20 C ATOM 854 NE ARG A 54 5.738 12.250 0.017 1.00 18.23 N ATOM 855 CZ ARG A 54 5.644 12.478 1.307 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.256 11.734 2.189 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.824 13.403 1.764 1.00 23.38 N ATOM 0 H ARG A 54 4.164 9.453 -3.906 1.00 8.53 H new ATOM 0 HA ARG A 54 6.913 9.620 -4.501 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.715 8.497 -1.885 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.348 9.091 -2.110 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.261 11.364 -2.556 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.803 10.654 -1.892 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.099 10.177 0.240 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.441 11.077 -0.437 1.00 12.20 H new ATOM 0 HE ARG A 54 5.392 12.935 -0.655 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.829 10.947 1.883 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.161 11.940 3.184 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.257 13.948 1.114 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.757 13.574 2.767 1.00 23.38 H new ATOM 871 N THR A 55 7.648 7.020 -3.786 1.00 9.05 N ATOM 872 CA THR A 55 7.921 5.576 -4.024 1.00 9.03 C ATOM 873 C THR A 55 8.203 4.882 -2.702 1.00 8.15 C ATOM 874 O THR A 55 8.332 5.485 -1.636 1.00 5.91 O ATOM 875 CB THR A 55 9.102 5.420 -4.999 1.00 11.15 C ATOM 876 OG1 THR A 55 10.330 6.017 -4.549 1.00 11.95 O ATOM 877 CG2 THR A 55 8.776 5.913 -6.424 1.00 11.71 C ATOM 0 H THR A 55 8.391 7.549 -3.329 1.00 9.05 H new ATOM 0 HA THR A 55 7.046 5.108 -4.475 1.00 9.03 H new ATOM 0 HB THR A 55 9.262 4.342 -5.028 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.163 6.943 -4.276 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.648 5.777 -7.064 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.939 5.341 -6.824 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.511 6.970 -6.392 1.00 11.71 H new ATOM 885 N LEU A 56 8.373 3.532 -2.750 1.00 6.91 N ATOM 886 CA LEU A 56 8.736 2.619 -1.664 1.00 8.29 C ATOM 887 C LEU A 56 10.094 2.910 -1.006 1.00 8.05 C ATOM 888 O LEU A 56 10.261 2.723 0.203 1.00 10.17 O ATOM 889 CB LEU A 56 8.694 1.093 -2.053 1.00 6.60 C ATOM 890 CG LEU A 56 7.299 0.588 -2.503 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.388 -0.926 -2.490 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.199 1.046 -1.580 1.00 8.64 C ATOM 0 H LEU A 56 8.246 3.027 -3.627 1.00 6.91 H new ATOM 0 HA LEU A 56 7.948 2.821 -0.939 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.409 0.915 -2.857 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.023 0.503 -1.198 1.00 6.60 H new ATOM 0 HG LEU A 56 7.052 0.986 -3.487 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.432 -1.349 -2.799 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.168 -1.251 -3.178 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.628 -1.268 -1.483 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.242 0.667 -1.938 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.386 0.668 -0.575 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.172 2.135 -1.558 1.00 8.64 H new ATOM 904 N SER A 57 11.068 3.425 -1.751 1.00 8.92 N ATOM 905 CA SER A 57 12.307 3.883 -1.191 1.00 9.00 C ATOM 906 C SER A 57 12.150 5.103 -0.232 1.00 9.44 C ATOM 907 O SER A 57 12.740 5.198 0.864 1.00 10.91 O ATOM 908 CB SER A 57 13.309 4.210 -2.249 1.00 10.32 C ATOM 909 OG SER A 57 14.628 4.276 -1.692 1.00 13.59 O ATOM 0 H SER A 57 11.006 3.531 -2.764 1.00 8.92 H new ATOM 0 HA SER A 57 12.668 3.044 -0.596 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.277 3.454 -3.034 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.057 5.163 -2.714 1.00 10.32 H new ATOM 0 HG SER A 57 15.272 4.490 -2.400 1.00 13.59 H new ATOM 915 N ASP A 58 11.216 6.014 -0.570 1.00 9.11 N ATOM 916 CA ASP A 58 11.028 7.292 0.128 1.00 7.91 C ATOM 917 C ASP A 58 10.333 7.235 1.481 1.00 9.12 C ATOM 918 O ASP A 58 10.437 8.121 2.332 1.00 8.61 O ATOM 919 CB ASP A 58 10.181 8.225 -0.708 1.00 8.41 C ATOM 920 CG ASP A 58 10.702 8.403 -2.172 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.938 8.678 -2.323 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.907 8.254 -3.159 1.00 11.70 O ATOM 0 H ASP A 58 10.566 5.877 -1.344 1.00 9.11 H new ATOM 0 HA ASP A 58 12.053 7.627 0.289 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.160 7.845 -0.739 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.144 9.201 -0.223 1.00 8.41 H new ATOM 927 N TYR A 59 9.621 6.149 1.744 1.00 7.97 N ATOM 928 CA TYR A 59 8.987 5.778 2.936 1.00 8.45 C ATOM 929 C TYR A 59 9.803 4.752 3.704 1.00 10.98 C ATOM 930 O TYR A 59 9.410 4.358 4.828 1.00 12.95 O ATOM 931 CB TYR A 59 7.595 5.203 2.641 1.00 7.94 C ATOM 932 CG TYR A 59 6.744 6.403 2.299 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.507 7.313 3.293 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.056 6.507 1.073 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.573 8.374 3.064 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.098 7.514 0.835 1.00 6.52 C ATOM 937 CZ TYR A 59 4.814 8.405 1.892 1.00 6.76 C ATOM 938 OH TYR A 59 3.840 9.438 1.609 1.00 7.63 O ATOM 0 H TYR A 59 9.476 5.445 1.021 1.00 7.97 H new ATOM 0 HA TYR A 59 8.892 6.674 3.550 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.628 4.493 1.814 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.197 4.669 3.504 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.019 7.232 4.240 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.269 5.793 0.291 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.455 9.154 3.801 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.601 7.600 -0.120 1.00 6.52 H new ATOM 0 HH TYR A 59 3.997 9.799 0.712 1.00 7.63 H new ATOM 948 N ASN A 60 11.008 4.421 3.166 1.00 12.38 N ATOM 949 CA ASN A 60 11.912 3.376 3.715 1.00 13.94 C ATOM 950 C ASN A 60 11.247 2.031 3.986 1.00 14.16 C ATOM 951 O ASN A 60 11.216 1.659 5.149 1.00 14.26 O ATOM 952 CB ASN A 60 12.702 3.880 4.896 1.00 19.23 C ATOM 953 CG ASN A 60 13.572 5.101 4.530 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.539 4.902 3.828 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.303 6.308 4.970 1.00 24.09 N ATOM 0 H ASN A 60 11.381 4.876 2.333 1.00 12.38 H new ATOM 0 HA ASN A 60 12.618 3.166 2.912 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.018 4.150 5.701 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.339 3.081 5.274 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.911 7.089 4.721 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.486 6.465 5.561 1.00 24.09 H new ATOM 962 N ILE A 61 10.763 1.296 2.998 1.00 11.08 N ATOM 963 CA ILE A 61 10.195 0.000 3.217 1.00 11.78 C ATOM 964 C ILE A 61 11.215 -0.959 2.596 1.00 13.74 C ATOM 965 O ILE A 61 11.576 -0.745 1.463 1.00 14.60 O ATOM 966 CB ILE A 61 8.862 -0.176 2.447 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.727 0.726 2.991 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.496 -1.683 2.347 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.670 1.069 1.880 1.00 11.42 C ATOM 0 H ILE A 61 10.759 1.593 2.022 1.00 11.08 H new ATOM 0 HA ILE A 61 9.992 -0.166 4.275 1.00 11.78 H new ATOM 0 HB ILE A 61 9.003 0.180 1.427 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.231 0.224 3.822 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.153 1.649 3.384 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.557 -1.794 1.804 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.287 -2.215 1.818 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.387 -2.098 3.349 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.891 1.703 2.303 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.161 1.594 1.061 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.224 0.148 1.505 1.00 11.42 H new ATOM 981 N GLN A 62 11.590 -1.981 3.349 1.00 13.97 N ATOM 982 CA GLN A 62 12.536 -2.964 2.970 1.00 15.52 C ATOM 983 C GLN A 62 11.889 -4.292 2.795 1.00 13.94 C ATOM 984 O GLN A 62 10.660 -4.372 2.869 1.00 12.15 O ATOM 985 CB GLN A 62 13.787 -2.894 3.863 1.00 19.53 C ATOM 986 CG GLN A 62 14.490 -1.542 4.004 1.00 26.38 C ATOM 987 CD GLN A 62 15.505 -1.678 5.112 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.261 -2.282 6.189 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.604 -0.934 4.950 1.00 32.71 N ATOM 0 H GLN A 62 11.212 -2.136 4.283 1.00 13.97 H new ATOM 0 HA GLN A 62 12.931 -2.756 1.976 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.505 -3.230 4.861 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.513 -3.610 3.479 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.976 -1.262 3.069 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.770 -0.757 4.236 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.771 -0.458 4.064 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.275 -0.843 5.713 1.00 32.71 H new ATOM 998 N LYS A 63 12.686 -5.354 2.404 1.00 11.73 N ATOM 999 CA LYS A 63 12.095 -6.655 2.132 1.00 11.97 C ATOM 1000 C LYS A 63 11.494 -7.267 3.352 1.00 10.41 C ATOM 1001 O LYS A 63 11.928 -7.126 4.477 1.00 9.59 O ATOM 1002 CB LYS A 63 13.096 -7.582 1.365 1.00 13.73 C ATOM 1003 CG LYS A 63 14.302 -8.133 2.275 1.00 16.98 C ATOM 1004 CD LYS A 63 15.079 -9.264 1.560 1.00 20.19 C ATOM 1005 CE LYS A 63 15.437 -8.954 0.097 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.339 -10.015 -0.368 1.00 25.97 N ATOM 0 H LYS A 63 13.698 -5.306 2.283 1.00 11.73 H new ATOM 0 HA LYS A 63 11.252 -6.513 1.456 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.548 -8.430 0.953 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.513 -7.031 0.522 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.983 -7.316 2.513 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.906 -8.503 3.221 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.997 -9.465 2.112 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.482 -10.176 1.591 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.538 -8.917 -0.519 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.918 -7.979 0.018 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.603 -9.837 -1.358 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.195 -10.026 0.222 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.858 -10.935 -0.298 1.00 25.97 H new ATOM 1020 N GLU A 64 10.342 -7.922 3.176 1.00 10.04 N ATOM 1021 CA GLU A 64 9.578 -8.681 4.216 1.00 10.94 C ATOM 1022 C GLU A 64 8.907 -7.800 5.233 1.00 9.74 C ATOM 1023 O GLU A 64 8.577 -8.133 6.382 1.00 9.42 O ATOM 1024 CB GLU A 64 10.343 -9.852 4.785 1.00 18.31 C ATOM 1025 CG GLU A 64 10.585 -10.924 3.674 1.00 24.16 C ATOM 1026 CD GLU A 64 11.287 -12.172 4.197 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.814 -12.805 5.169 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.407 -12.500 3.622 1.00 32.61 O ATOM 0 H GLU A 64 9.880 -7.949 2.267 1.00 10.04 H new ATOM 0 HA GLU A 64 8.743 -9.145 3.691 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.297 -9.512 5.188 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.787 -10.293 5.612 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.628 -11.208 3.236 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.183 -10.484 2.876 1.00 24.16 H new ATOM 1035 N SER A 65 8.697 -6.460 4.911 1.00 6.85 N ATOM 1036 CA SER A 65 8.044 -5.475 5.736 1.00 6.90 C ATOM 1037 C SER A 65 6.559 -5.599 5.631 1.00 4.72 C ATOM 1038 O SER A 65 6.010 -6.104 4.642 1.00 3.91 O ATOM 1039 CB SER A 65 8.466 -4.044 5.427 1.00 7.28 C ATOM 1040 OG SER A 65 8.401 -3.249 6.603 1.00 10.56 O ATOM 0 H SER A 65 9.010 -6.070 4.022 1.00 6.85 H new ATOM 0 HA SER A 65 8.363 -5.684 6.757 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.480 -4.034 5.028 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.817 -3.624 4.659 1.00 7.28 H new ATOM 0 HG SER A 65 8.220 -2.317 6.359 1.00 10.56 H new ATOM 1046 N THR A 66 5.847 -5.253 6.682 1.00 4.48 N ATOM 1047 CA THR A 66 4.393 -5.364 6.682 1.00 3.80 C ATOM 1048 C THR A 66 3.864 -3.907 6.643 1.00 4.60 C ATOM 1049 O THR A 66 4.342 -3.009 7.409 1.00 5.33 O ATOM 1050 CB THR A 66 3.904 -6.000 7.948 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.401 -7.310 8.057 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.378 -6.000 8.015 1.00 3.40 C ATOM 0 H THR A 66 6.245 -4.892 7.549 1.00 4.48 H new ATOM 0 HA THR A 66 4.055 -5.970 5.842 1.00 3.80 H new ATOM 0 HB THR A 66 4.274 -5.411 8.787 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.077 -7.715 8.888 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.055 -6.468 8.945 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.012 -4.974 7.979 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.977 -6.558 7.169 1.00 3.40 H new ATOM 1060 N LEU A 67 2.857 -3.649 5.802 1.00 4.17 N ATOM 1061 CA LEU A 67 2.127 -2.414 5.791 1.00 3.85 C ATOM 1062 C LEU A 67 0.779 -2.726 6.296 1.00 3.80 C ATOM 1063 O LEU A 67 0.408 -3.869 6.357 1.00 5.54 O ATOM 1064 CB LEU A 67 2.020 -1.759 4.303 1.00 7.18 C ATOM 1065 CG LEU A 67 3.338 -1.783 3.492 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.149 -1.195 2.099 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.438 -1.080 4.178 1.00 11.66 C ATOM 0 H LEU A 67 2.534 -4.318 5.103 1.00 4.17 H new ATOM 0 HA LEU A 67 2.644 -1.679 6.408 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.253 -2.291 3.740 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.686 -0.726 4.398 1.00 7.18 H new ATOM 0 HG LEU A 67 3.613 -2.834 3.402 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.095 -1.228 1.559 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.401 -1.775 1.558 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.815 -0.161 2.183 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.338 -1.128 3.565 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.161 -0.038 4.336 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.629 -1.555 5.141 1.00 11.66 H new ATOM 1079 N HIS A 68 0.034 -1.674 6.725 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.388 -1.698 7.143 1.00 4.17 C ATOM 1081 C HIS A 68 -2.254 -1.089 6.071 1.00 5.32 C ATOM 1082 O HIS A 68 -1.913 -0.019 5.458 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.518 -0.799 8.451 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.628 -1.237 9.596 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.687 -0.991 9.591 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.955 -1.803 10.777 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.147 -1.248 10.822 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.188 -1.844 11.573 1.00 16.30 N ATOM 0 H HIS A 68 0.433 -0.738 6.791 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.704 -2.726 7.323 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.279 0.233 8.194 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.555 -0.812 8.786 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.238 -0.667 8.796 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.934 -2.162 11.057 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.143 -1.013 11.168 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.403 -1.719 5.717 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.294 -1.279 4.695 1.00 3.97 C ATOM 1098 C LEU A 69 -5.655 -1.097 5.328 1.00 5.07 C ATOM 1099 O LEU A 69 -6.188 -2.046 5.931 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.263 -2.232 3.562 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.333 -2.051 2.465 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.520 -0.669 1.878 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.264 -3.147 1.399 1.00 9.96 C ATOM 0 H LEU A 69 -3.716 -2.576 6.173 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.001 -0.320 4.268 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.282 -2.168 3.092 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.358 -3.240 3.965 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.259 -2.171 3.027 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.304 -0.698 1.121 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.804 0.027 2.668 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.587 -0.338 1.421 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.037 -2.975 0.650 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.285 -3.128 0.921 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.421 -4.119 1.866 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.271 0.092 5.243 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.584 0.467 5.812 1.00 6.26 C ATOM 1117 C VAL A 70 -8.275 1.116 4.646 1.00 9.22 C ATOM 1118 O VAL A 70 -7.611 1.551 3.694 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.529 1.430 7.014 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.471 0.563 8.262 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.285 2.324 6.908 1.00 8.54 C ATOM 0 H VAL A 70 -5.841 0.871 4.744 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.088 -0.406 6.226 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.399 2.086 7.044 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.430 1.200 9.146 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.359 -0.067 8.309 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.582 -0.066 8.227 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.251 3.003 7.760 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.390 1.702 6.903 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.330 2.902 5.985 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.634 1.123 4.570 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.323 1.682 3.415 1.00 16.06 C ATOM 1133 C LEU A 71 -10.961 3.034 3.551 1.00 18.09 C ATOM 1134 O LEU A 71 -11.346 3.520 4.613 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.249 0.687 2.768 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.642 -0.678 2.271 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.773 -1.561 1.830 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.518 -0.532 1.260 1.00 19.57 C ATOM 0 H LEU A 71 -10.250 0.750 5.292 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.488 1.894 2.747 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.043 0.459 3.479 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.717 1.175 1.913 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.127 -1.162 3.101 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.376 -2.514 1.481 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.448 -1.734 2.668 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.318 -1.077 1.020 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.158 -1.519 0.971 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.887 -0.008 0.378 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.701 0.037 1.704 1.00 19.57 H new