USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 133:sc= 1.19 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 22 THR OG1 : rot -42:sc= 1.14 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.79 K(o=2.9,f=-4.5!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 171:sc= 0.625 (180deg=-0.0098) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 0.467 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.307) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.17 (180deg=0.902) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 0.792 (180deg=0.521) USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.0553 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.958) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0541 (180deg=-0.193) USER MOD Single : A 31 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.798 K(o=0.8,f=-0.39) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.915 X(o=-0.92,f=-0.99) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.633 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 176:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.118 K(o=0.12,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.035 -6.537 -4.779 1.00 9.67 N ATOM 2 CA MET A 1 11.851 -7.227 -3.540 1.00 10.38 C ATOM 3 C MET A 1 10.484 -7.784 -3.330 1.00 9.62 C ATOM 4 O MET A 1 9.755 -7.914 -4.320 1.00 9.62 O ATOM 5 CB MET A 1 12.322 -6.326 -2.409 1.00 13.77 C ATOM 6 CG MET A 1 11.661 -4.970 -2.285 1.00 16.29 C ATOM 7 SD MET A 1 12.364 -3.738 -1.097 1.00 17.17 S ATOM 8 CE MET A 1 10.857 -2.779 -0.895 1.00 16.11 C ATOM 0 H1 MET A 1 12.773 -5.813 -4.667 1.00 9.67 H new ATOM 0 H2 MET A 1 12.323 -7.214 -5.514 1.00 9.67 H new ATOM 0 H3 MET A 1 11.143 -6.082 -5.059 1.00 9.67 H new ATOM 0 HA MET A 1 12.465 -8.127 -3.563 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.178 -6.859 -1.469 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.394 -6.170 -2.526 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.661 -4.512 -3.274 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.619 -5.135 -2.011 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.112 -1.748 -0.649 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.285 -2.800 -1.823 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.259 -3.207 -0.091 1.00 16.11 H new ATOM 20 N GLN A 2 10.027 -8.223 -2.141 1.00 9.27 N ATOM 21 CA GLN A 2 8.593 -8.361 -1.946 1.00 9.07 C ATOM 22 C GLN A 2 8.227 -7.788 -0.619 1.00 8.72 C ATOM 23 O GLN A 2 9.111 -7.482 0.251 1.00 8.22 O ATOM 24 CB GLN A 2 8.274 -9.939 -1.955 1.00 14.46 C ATOM 25 CG GLN A 2 8.694 -10.645 -0.614 1.00 17.01 C ATOM 26 CD GLN A 2 8.393 -12.167 -0.617 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.699 -12.717 0.268 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.041 -12.867 -1.573 1.00 19.49 N ATOM 0 H GLN A 2 10.608 -8.475 -1.342 1.00 9.27 H new ATOM 0 HA GLN A 2 8.031 -7.842 -2.723 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.208 -10.090 -2.123 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.798 -10.408 -2.788 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.760 -10.490 -0.445 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.168 -10.177 0.218 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.596 -12.378 -2.275 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.975 -13.885 -1.593 1.00 19.49 H new ATOM 37 N ILE A 3 6.939 -7.543 -0.405 1.00 5.87 N ATOM 38 CA ILE A 3 6.460 -7.020 0.790 1.00 5.07 C ATOM 39 C ILE A 3 5.070 -7.637 1.137 1.00 4.01 C ATOM 40 O ILE A 3 4.487 -8.383 0.331 1.00 4.61 O ATOM 41 CB ILE A 3 6.213 -5.512 0.808 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.437 -5.139 -0.464 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.596 -4.791 0.710 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.971 -3.626 -0.480 1.00 10.83 C ATOM 0 H ILE A 3 6.212 -7.720 -1.098 1.00 5.87 H new ATOM 0 HA ILE A 3 7.256 -7.262 1.494 1.00 5.07 H new ATOM 0 HB ILE A 3 5.671 -5.229 1.711 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.064 -5.330 -1.335 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.563 -5.784 -0.553 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.445 -3.712 0.721 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.217 -5.079 1.558 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.091 -5.079 -0.217 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.428 -3.422 -1.403 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.320 -3.437 0.373 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.844 -2.976 -0.421 1.00 10.83 H new ATOM 56 N PHE A 4 4.558 -7.410 2.363 1.00 4.55 N ATOM 57 CA PHE A 4 3.325 -7.923 2.844 1.00 4.68 C ATOM 58 C PHE A 4 2.432 -6.790 3.195 1.00 5.30 C ATOM 59 O PHE A 4 2.923 -5.780 3.640 1.00 5.58 O ATOM 60 CB PHE A 4 3.511 -8.821 4.117 1.00 4.83 C ATOM 61 CG PHE A 4 4.725 -9.749 3.984 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.784 -10.692 2.965 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.770 -9.736 4.909 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.795 -11.585 2.872 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.809 -10.671 4.789 1.00 10.61 C ATOM 66 CZ PHE A 4 6.907 -11.570 3.734 1.00 8.90 C ATOM 0 H PHE A 4 5.040 -6.833 3.053 1.00 4.55 H new ATOM 0 HA PHE A 4 2.895 -8.538 2.054 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.632 -8.187 4.995 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.613 -9.417 4.276 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.998 -10.712 2.225 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.779 -9.012 5.711 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.747 -12.342 2.103 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.570 -10.693 5.555 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.767 -12.206 3.587 1.00 8.90 H new ATOM 76 N VAL A 5 1.130 -6.989 2.968 1.00 4.44 N ATOM 77 CA VAL A 5 0.087 -5.940 3.226 1.00 3.87 C ATOM 78 C VAL A 5 -0.887 -6.611 4.073 1.00 4.93 C ATOM 79 O VAL A 5 -1.431 -7.683 3.680 1.00 6.84 O ATOM 80 CB VAL A 5 -0.517 -5.481 1.935 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.724 -4.568 2.136 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.626 -4.717 1.229 1.00 9.13 C ATOM 0 H VAL A 5 0.752 -7.864 2.605 1.00 4.44 H new ATOM 0 HA VAL A 5 0.485 -5.043 3.701 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.895 -6.325 1.358 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.119 -4.268 1.165 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.495 -5.101 2.692 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.421 -3.682 2.694 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.274 -4.342 0.268 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.943 -3.880 1.851 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.469 -5.390 1.069 1.00 9.13 H new ATOM 92 N LYS A 6 -1.156 -6.108 5.248 1.00 6.04 N ATOM 93 CA LYS A 6 -2.216 -6.579 6.110 1.00 6.12 C ATOM 94 C LYS A 6 -3.532 -5.748 6.040 1.00 6.57 C ATOM 95 O LYS A 6 -3.472 -4.560 6.181 1.00 5.76 O ATOM 96 CB LYS A 6 -1.824 -6.625 7.589 1.00 7.45 C ATOM 97 CG LYS A 6 -0.817 -7.731 7.836 1.00 11.12 C ATOM 98 CD LYS A 6 -0.597 -7.807 9.342 1.00 14.54 C ATOM 99 CE LYS A 6 0.282 -9.008 9.791 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.359 -10.326 9.523 1.00 20.55 N ATOM 0 H LYS A 6 -0.628 -5.333 5.648 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.391 -7.581 5.718 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.401 -5.666 7.889 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.711 -6.789 8.202 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.187 -8.682 7.452 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.120 -7.522 7.320 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.129 -6.882 9.678 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.565 -7.873 9.838 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.241 -8.964 9.274 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.491 -8.921 10.857 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.327 -11.088 9.699 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.179 -10.447 10.151 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.673 -10.364 8.532 1.00 20.55 H new ATOM 114 N THR A 7 -4.690 -6.392 5.831 1.00 7.41 N ATOM 115 CA THR A 7 -6.033 -5.803 5.784 1.00 7.48 C ATOM 116 C THR A 7 -6.632 -5.916 7.186 1.00 8.75 C ATOM 117 O THR A 7 -6.181 -6.687 8.019 1.00 8.58 O ATOM 118 CB THR A 7 -7.138 -6.392 4.835 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.675 -7.604 5.296 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.559 -6.766 3.453 1.00 9.17 C ATOM 0 H THR A 7 -4.713 -7.401 5.681 1.00 7.41 H new ATOM 0 HA THR A 7 -5.823 -4.812 5.382 1.00 7.48 H new ATOM 0 HB THR A 7 -7.889 -5.603 4.794 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.357 -7.920 4.667 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.352 -7.170 2.824 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.139 -5.877 2.982 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.777 -7.515 3.577 1.00 9.17 H new ATOM 128 N LEU A 8 -7.592 -5.050 7.521 1.00 9.84 N ATOM 129 CA LEU A 8 -8.121 -4.935 8.887 1.00 14.15 C ATOM 130 C LEU A 8 -8.841 -6.138 9.402 1.00 17.37 C ATOM 131 O LEU A 8 -8.713 -6.611 10.540 1.00 17.01 O ATOM 132 CB LEU A 8 -9.066 -3.687 8.854 1.00 16.63 C ATOM 133 CG LEU A 8 -9.592 -3.113 10.139 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.015 -3.757 10.578 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.534 -2.985 11.224 1.00 18.59 C ATOM 0 H LEU A 8 -8.025 -4.409 6.856 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.288 -4.836 9.583 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.533 -2.890 8.336 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.927 -3.947 8.238 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.845 -2.071 9.946 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.346 -3.305 11.513 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.755 -3.567 9.801 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.901 -4.832 10.716 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.984 -2.564 12.123 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.124 -3.969 11.450 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.735 -2.330 10.877 1.00 18.59 H new ATOM 147 N THR A 9 -9.624 -6.781 8.560 1.00 18.33 N ATOM 148 CA THR A 9 -10.353 -7.947 8.962 1.00 19.24 C ATOM 149 C THR A 9 -9.665 -9.222 8.949 1.00 19.48 C ATOM 150 O THR A 9 -10.211 -10.321 9.183 1.00 23.14 O ATOM 151 CB THR A 9 -11.558 -8.122 8.001 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.130 -8.280 6.685 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.451 -6.880 8.020 1.00 19.70 C ATOM 0 H THR A 9 -9.766 -6.506 7.588 1.00 18.33 H new ATOM 0 HA THR A 9 -10.591 -7.742 10.006 1.00 19.24 H new ATOM 0 HB THR A 9 -12.102 -9.003 8.341 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.908 -8.390 6.099 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.290 -7.024 7.339 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.827 -6.718 9.030 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.873 -6.011 7.705 1.00 19.70 H new ATOM 161 N GLY A 10 -8.303 -9.226 8.853 1.00 19.43 N ATOM 162 CA GLY A 10 -7.479 -10.314 9.356 1.00 18.74 C ATOM 163 C GLY A 10 -6.834 -11.097 8.225 1.00 17.62 C ATOM 164 O GLY A 10 -6.477 -12.261 8.459 1.00 19.74 O ATOM 0 H GLY A 10 -7.770 -8.470 8.424 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.704 -9.912 10.009 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.090 -10.984 9.961 1.00 18.74 H new ATOM 168 N LYS A 11 -6.736 -10.502 7.025 1.00 13.56 N ATOM 169 CA LYS A 11 -6.101 -11.296 5.921 1.00 11.91 C ATOM 170 C LYS A 11 -4.752 -10.594 5.528 1.00 10.18 C ATOM 171 O LYS A 11 -4.602 -9.409 5.664 1.00 9.10 O ATOM 172 CB LYS A 11 -7.077 -11.166 4.709 1.00 13.43 C ATOM 173 CG LYS A 11 -6.588 -11.647 3.287 1.00 16.69 C ATOM 174 CD LYS A 11 -7.754 -11.717 2.290 1.00 17.92 C ATOM 175 CE LYS A 11 -7.411 -12.420 0.956 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.535 -12.366 0.047 1.00 21.93 N ATOM 0 H LYS A 11 -7.051 -9.561 6.789 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.916 -12.332 6.205 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.982 -11.722 4.953 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.360 -10.117 4.624 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.826 -10.964 2.912 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.121 -12.628 3.373 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.587 -12.241 2.759 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.095 -10.704 2.076 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.544 -11.942 0.499 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.139 -13.458 1.146 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.439 -13.115 -0.669 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.418 -12.506 0.578 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.557 -11.439 -0.423 1.00 21.93 H new ATOM 190 N THR A 12 -3.809 -11.424 5.077 1.00 9.63 N ATOM 191 CA THR A 12 -2.487 -10.915 4.726 1.00 9.85 C ATOM 192 C THR A 12 -2.200 -11.337 3.257 1.00 11.66 C ATOM 193 O THR A 12 -2.452 -12.460 2.865 1.00 12.33 O ATOM 194 CB THR A 12 -1.384 -11.398 5.671 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.695 -11.026 7.028 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.076 -10.629 5.356 1.00 9.63 C ATOM 0 H THR A 12 -3.933 -12.428 4.949 1.00 9.63 H new ATOM 0 HA THR A 12 -2.486 -9.830 4.827 1.00 9.85 H new ATOM 0 HB THR A 12 -1.291 -12.477 5.549 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.609 -11.810 7.610 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.715 -10.967 6.025 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.217 -10.817 4.323 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.239 -9.561 5.498 1.00 9.63 H new ATOM 204 N ILE A 13 -1.695 -10.378 2.438 1.00 10.42 N ATOM 205 CA ILE A 13 -1.288 -10.707 1.058 1.00 11.84 C ATOM 206 C ILE A 13 0.121 -10.244 0.757 1.00 10.55 C ATOM 207 O ILE A 13 0.590 -9.225 1.283 1.00 11.92 O ATOM 208 CB ILE A 13 -2.258 -10.074 0.069 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.310 -8.521 0.258 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.642 -10.793 0.212 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.323 -7.846 -0.734 1.00 16.46 C ATOM 0 H ILE A 13 -1.565 -9.402 2.703 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.309 -11.792 0.958 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.924 -10.214 -0.959 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.597 -8.289 1.284 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.316 -8.102 0.103 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.354 -10.355 -0.488 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.525 -11.855 -0.006 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.012 -10.670 1.230 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.329 -6.768 -0.570 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.022 -8.055 -1.760 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.322 -8.245 -0.561 1.00 16.46 H new ATOM 223 N THR A 14 0.776 -11.012 -0.049 1.00 9.39 N ATOM 224 CA THR A 14 2.103 -10.765 -0.603 1.00 9.63 C ATOM 225 C THR A 14 2.016 -9.999 -1.932 1.00 11.20 C ATOM 226 O THR A 14 1.225 -10.312 -2.803 1.00 11.63 O ATOM 227 CB THR A 14 2.966 -12.021 -0.718 1.00 10.38 C ATOM 228 OG1 THR A 14 3.169 -12.525 0.595 1.00 16.30 O ATOM 229 CG2 THR A 14 4.408 -11.736 -1.094 1.00 11.66 C ATOM 0 H THR A 14 0.386 -11.897 -0.372 1.00 9.39 H new ATOM 0 HA THR A 14 2.619 -10.131 0.118 1.00 9.63 H new ATOM 0 HB THR A 14 2.455 -12.654 -1.444 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.967 -12.110 0.985 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.960 -12.674 -1.157 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.439 -11.231 -2.059 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.862 -11.098 -0.336 1.00 11.66 H new ATOM 237 N LEU A 15 2.876 -8.976 -2.120 1.00 8.29 N ATOM 238 CA LEU A 15 3.088 -8.216 -3.335 1.00 9.03 C ATOM 239 C LEU A 15 4.516 -8.098 -3.675 1.00 8.59 C ATOM 240 O LEU A 15 5.367 -7.835 -2.834 1.00 7.79 O ATOM 241 CB LEU A 15 2.614 -6.709 -3.151 1.00 11.08 C ATOM 242 CG LEU A 15 1.152 -6.566 -2.599 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.006 -5.147 -2.142 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.092 -7.039 -3.614 1.00 15.27 C ATOM 0 H LEU A 15 3.476 -8.649 -1.362 1.00 8.29 H new ATOM 0 HA LEU A 15 2.530 -8.750 -4.104 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.300 -6.203 -2.471 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.681 -6.197 -4.111 1.00 11.08 H new ATOM 0 HG LEU A 15 0.975 -7.227 -1.751 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.002 -4.993 -1.747 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.738 -4.939 -1.362 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.171 -4.475 -2.984 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.902 -6.920 -3.184 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.168 -6.443 -4.524 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.260 -8.089 -3.853 1.00 15.27 H new ATOM 256 N GLU A 16 4.823 -8.382 -4.942 1.00 11.04 N ATOM 257 CA GLU A 16 6.200 -8.192 -5.476 1.00 11.50 C ATOM 258 C GLU A 16 6.390 -6.760 -5.914 1.00 10.13 C ATOM 259 O GLU A 16 5.577 -6.251 -6.624 1.00 9.83 O ATOM 260 CB GLU A 16 6.526 -9.102 -6.760 1.00 17.22 C ATOM 261 CG GLU A 16 6.692 -10.592 -6.456 1.00 23.33 C ATOM 262 CD GLU A 16 7.516 -11.326 -7.527 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.717 -11.387 -7.525 1.00 28.90 O ATOM 264 OE2 GLU A 16 6.857 -11.926 -8.424 1.00 28.86 O ATOM 0 H GLU A 16 4.154 -8.742 -5.623 1.00 11.04 H new ATOM 0 HA GLU A 16 6.865 -8.476 -4.661 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.725 -8.980 -7.489 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.440 -8.735 -7.227 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.176 -10.709 -5.487 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.708 -11.055 -6.379 1.00 23.33 H new ATOM 271 N VAL A 17 7.450 -6.119 -5.361 1.00 8.99 N ATOM 272 CA VAL A 17 7.607 -4.644 -5.521 1.00 8.85 C ATOM 273 C VAL A 17 9.037 -4.286 -5.641 1.00 8.04 C ATOM 274 O VAL A 17 9.870 -4.941 -5.088 1.00 8.99 O ATOM 275 CB VAL A 17 6.998 -3.882 -4.343 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.476 -3.967 -4.291 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.661 -4.265 -3.058 1.00 10.54 C ATOM 0 H VAL A 17 8.185 -6.575 -4.820 1.00 8.99 H new ATOM 0 HA VAL A 17 7.078 -4.360 -6.431 1.00 8.85 H new ATOM 0 HB VAL A 17 7.202 -2.823 -4.504 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.109 -3.405 -3.432 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.057 -3.547 -5.205 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.173 -5.010 -4.199 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.210 -3.709 -2.236 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.533 -5.334 -2.887 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.724 -4.031 -3.113 1.00 10.54 H new ATOM 287 N GLU A 18 9.439 -3.220 -6.395 1.00 7.29 N ATOM 288 CA GLU A 18 10.809 -2.717 -6.306 1.00 7.08 C ATOM 289 C GLU A 18 10.792 -1.376 -5.607 1.00 6.45 C ATOM 290 O GLU A 18 9.752 -0.697 -5.600 1.00 5.28 O ATOM 291 CB GLU A 18 11.439 -2.668 -7.803 1.00 10.28 C ATOM 292 CG GLU A 18 11.536 -4.072 -8.424 1.00 12.65 C ATOM 293 CD GLU A 18 12.592 -4.983 -7.783 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.659 -4.533 -7.280 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.404 -6.226 -7.940 1.00 18.17 O ATOM 0 H GLU A 18 8.839 -2.717 -7.049 1.00 7.29 H new ATOM 0 HA GLU A 18 11.449 -3.371 -5.713 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.822 -2.031 -8.437 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.430 -2.217 -7.766 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.563 -4.557 -8.348 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.759 -3.971 -9.486 1.00 12.65 H new ATOM 302 N PRO A 19 11.911 -0.940 -4.979 1.00 7.24 N ATOM 303 CA PRO A 19 12.034 0.409 -4.359 1.00 7.07 C ATOM 304 C PRO A 19 11.418 1.632 -5.088 1.00 6.65 C ATOM 305 O PRO A 19 10.872 2.506 -4.412 1.00 6.37 O ATOM 306 CB PRO A 19 13.603 0.540 -4.227 1.00 7.61 C ATOM 307 CG PRO A 19 14.096 -0.895 -3.940 1.00 8.16 C ATOM 308 CD PRO A 19 13.126 -1.665 -4.741 1.00 7.49 C ATOM 0 HA PRO A 19 11.447 0.448 -3.441 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.045 0.935 -5.142 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.877 1.221 -3.421 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.124 -1.055 -4.264 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.053 -1.146 -2.880 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.579 -1.932 -5.696 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.894 -2.598 -4.227 1.00 7.49 H new ATOM 316 N SER A 20 11.683 1.741 -6.390 1.00 6.80 N ATOM 317 CA SER A 20 11.201 2.821 -7.156 1.00 6.28 C ATOM 318 C SER A 20 9.739 2.764 -7.600 1.00 8.45 C ATOM 319 O SER A 20 9.265 3.701 -8.262 1.00 7.26 O ATOM 320 CB SER A 20 12.096 3.037 -8.423 1.00 8.57 C ATOM 321 OG SER A 20 12.097 1.818 -9.172 1.00 11.13 O ATOM 0 H SER A 20 12.240 1.068 -6.916 1.00 6.80 H new ATOM 0 HA SER A 20 11.255 3.657 -6.458 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.709 3.857 -9.028 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.111 3.307 -8.132 1.00 8.57 H new ATOM 0 HG SER A 20 12.650 1.927 -9.974 1.00 11.13 H new ATOM 327 N ASP A 21 9.034 1.738 -7.225 1.00 7.50 N ATOM 328 CA ASP A 21 7.628 1.745 -7.190 1.00 7.70 C ATOM 329 C ASP A 21 6.990 2.800 -6.235 1.00 7.08 C ATOM 330 O ASP A 21 7.508 2.993 -5.136 1.00 8.11 O ATOM 331 CB ASP A 21 7.018 0.381 -6.819 1.00 11.00 C ATOM 332 CG ASP A 21 7.195 -0.494 -8.024 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.800 -0.173 -9.154 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.747 -1.619 -7.868 1.00 14.36 O ATOM 0 H ASP A 21 9.448 0.854 -6.929 1.00 7.50 H new ATOM 0 HA ASP A 21 7.387 2.011 -8.219 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.518 -0.046 -5.950 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.964 0.482 -6.562 1.00 11.00 H new ATOM 339 N THR A 22 5.880 3.512 -6.732 1.00 5.37 N ATOM 340 CA THR A 22 5.153 4.392 -5.851 1.00 6.01 C ATOM 341 C THR A 22 3.994 3.766 -5.143 1.00 8.01 C ATOM 342 O THR A 22 3.600 2.607 -5.370 1.00 8.11 O ATOM 343 CB THR A 22 4.600 5.619 -6.572 1.00 8.92 C ATOM 344 OG1 THR A 22 3.541 5.308 -7.523 1.00 10.22 O ATOM 345 CG2 THR A 22 5.726 6.320 -7.376 1.00 9.65 C ATOM 0 H THR A 22 5.531 3.462 -7.689 1.00 5.37 H new ATOM 0 HA THR A 22 5.913 4.663 -5.118 1.00 6.01 H new ATOM 0 HB THR A 22 4.193 6.255 -5.786 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.782 4.505 -8.030 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.319 7.193 -7.886 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.518 6.633 -6.696 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.133 5.627 -8.112 1.00 9.65 H new ATOM 353 N ILE A 23 3.372 4.521 -4.205 1.00 8.32 N ATOM 354 CA ILE A 23 2.157 4.022 -3.601 1.00 9.92 C ATOM 355 C ILE A 23 0.999 3.841 -4.598 1.00 10.01 C ATOM 356 O ILE A 23 0.226 2.820 -4.547 1.00 8.71 O ATOM 357 CB ILE A 23 1.749 5.016 -2.433 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.856 5.124 -1.491 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.390 4.474 -1.824 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.441 3.737 -1.074 1.00 12.30 C ATOM 0 H ILE A 23 3.688 5.433 -3.876 1.00 8.32 H new ATOM 0 HA ILE A 23 2.355 3.022 -3.215 1.00 9.92 H new ATOM 0 HB ILE A 23 1.567 6.037 -2.769 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.647 5.727 -1.937 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.517 5.652 -0.600 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.068 5.128 -1.013 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.375 4.455 -2.600 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.541 3.466 -1.439 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.262 3.884 -0.372 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.661 3.141 -0.601 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.809 3.217 -1.958 1.00 12.30 H new ATOM 372 N GLU A 24 0.845 4.684 -5.578 1.00 9.54 N ATOM 373 CA GLU A 24 -0.063 4.430 -6.734 1.00 11.81 C ATOM 374 C GLU A 24 0.219 3.065 -7.453 1.00 11.14 C ATOM 375 O GLU A 24 -0.735 2.321 -7.736 1.00 10.62 O ATOM 376 CB GLU A 24 -0.092 5.629 -7.780 1.00 19.24 C ATOM 377 CG GLU A 24 -1.423 5.554 -8.657 1.00 27.76 C ATOM 378 CD GLU A 24 -1.235 5.976 -10.052 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.885 7.203 -10.253 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.460 5.152 -11.006 1.00 34.80 O ATOM 0 H GLU A 24 1.333 5.578 -5.628 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.058 4.361 -6.294 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.046 6.583 -7.254 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.784 5.579 -8.427 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.799 4.531 -8.644 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.187 6.181 -8.197 1.00 27.76 H new ATOM 387 N ASN A 25 1.527 2.680 -7.657 1.00 9.43 N ATOM 388 CA ASN A 25 1.899 1.367 -8.170 1.00 10.96 C ATOM 389 C ASN A 25 1.557 0.290 -7.202 1.00 9.68 C ATOM 390 O ASN A 25 1.038 -0.778 -7.590 1.00 9.33 O ATOM 391 CB ASN A 25 3.372 1.253 -8.625 1.00 16.78 C ATOM 392 CG ASN A 25 3.878 2.331 -9.537 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.229 3.441 -9.092 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.938 2.024 -10.836 1.00 24.70 N ATOM 0 H ASN A 25 2.324 3.286 -7.464 1.00 9.43 H new ATOM 0 HA ASN A 25 1.303 1.236 -9.073 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.003 1.235 -7.736 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.500 0.294 -9.127 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.282 2.711 -11.507 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.640 1.103 -11.157 1.00 24.70 H new ATOM 401 N VAL A 26 1.854 0.483 -5.904 1.00 6.52 N ATOM 402 CA VAL A 26 1.613 -0.521 -4.831 1.00 5.53 C ATOM 403 C VAL A 26 0.114 -0.838 -4.753 1.00 4.42 C ATOM 404 O VAL A 26 -0.313 -1.985 -4.820 1.00 3.40 O ATOM 405 CB VAL A 26 2.112 -0.015 -3.470 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.663 -0.903 -2.331 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.690 -0.135 -3.523 1.00 8.12 C ATOM 0 H VAL A 26 2.273 1.347 -5.559 1.00 6.52 H new ATOM 0 HA VAL A 26 2.169 -1.426 -5.077 1.00 5.53 H new ATOM 0 HB VAL A 26 1.732 0.992 -3.301 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.040 -0.505 -1.389 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.574 -0.934 -2.302 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.051 -1.911 -2.480 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.113 0.211 -2.580 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.970 -1.176 -3.687 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.074 0.477 -4.339 1.00 8.12 H new ATOM 417 N LYS A 27 -0.766 0.212 -4.733 1.00 2.64 N ATOM 418 CA LYS A 27 -2.169 -0.047 -4.610 1.00 4.14 C ATOM 419 C LYS A 27 -2.827 -0.651 -5.887 1.00 5.58 C ATOM 420 O LYS A 27 -3.803 -1.372 -5.826 1.00 4.11 O ATOM 421 CB LYS A 27 -2.859 1.298 -4.220 1.00 3.97 C ATOM 422 CG LYS A 27 -2.479 1.715 -2.834 1.00 7.45 C ATOM 423 CD LYS A 27 -3.106 3.095 -2.387 1.00 9.02 C ATOM 424 CE LYS A 27 -3.125 4.179 -3.489 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.724 5.461 -2.948 1.00 15.47 N ATOM 0 H LYS A 27 -0.506 1.196 -4.800 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.304 -0.811 -3.845 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.574 2.076 -4.928 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.941 1.188 -4.286 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.792 0.941 -2.133 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.393 1.783 -2.770 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.127 2.922 -2.048 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.546 3.474 -1.532 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.112 4.364 -3.845 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.705 3.830 -4.343 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.506 6.246 -3.595 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.755 5.355 -2.867 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.322 5.663 -2.010 1.00 15.47 H new ATOM 439 N ALA A 28 -2.210 -0.517 -7.046 1.00 6.61 N ATOM 440 CA ALA A 28 -2.715 -1.069 -8.274 1.00 7.74 C ATOM 441 C ALA A 28 -2.513 -2.590 -8.315 1.00 9.17 C ATOM 442 O ALA A 28 -3.377 -3.348 -8.831 1.00 11.45 O ATOM 443 CB ALA A 28 -1.899 -0.337 -9.307 1.00 7.68 C ATOM 0 H ALA A 28 -1.330 -0.012 -7.155 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.787 -0.942 -8.422 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.190 -0.670 -10.303 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.075 0.735 -9.217 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.841 -0.545 -9.149 1.00 7.68 H new ATOM 449 N LYS A 29 -1.396 -3.087 -7.804 1.00 8.96 N ATOM 450 CA LYS A 29 -1.101 -4.474 -7.564 1.00 7.90 C ATOM 451 C LYS A 29 -2.042 -5.153 -6.589 1.00 6.92 C ATOM 452 O LYS A 29 -2.504 -6.300 -6.696 1.00 6.87 O ATOM 453 CB LYS A 29 0.338 -4.597 -7.105 1.00 10.28 C ATOM 454 CG LYS A 29 1.306 -4.124 -8.187 1.00 14.94 C ATOM 455 CD LYS A 29 2.727 -4.203 -7.781 1.00 19.69 C ATOM 456 CE LYS A 29 3.793 -3.988 -8.896 1.00 22.63 C ATOM 457 NZ LYS A 29 3.615 -4.962 -9.995 1.00 24.98 N ATOM 0 H LYS A 29 -0.623 -2.480 -7.530 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.250 -5.000 -8.507 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.485 -4.008 -6.199 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.553 -5.634 -6.849 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.158 -4.725 -9.084 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.068 -3.094 -8.451 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.898 -3.461 -7.001 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.898 -5.182 -7.333 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.715 -2.974 -9.288 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.792 -4.090 -8.473 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.446 -4.936 -10.620 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.510 -5.918 -9.598 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.764 -4.718 -10.541 1.00 24.98 H new ATOM 471 N ILE A 30 -2.370 -4.474 -5.537 1.00 4.57 N ATOM 472 CA ILE A 30 -3.439 -4.705 -4.548 1.00 5.58 C ATOM 473 C ILE A 30 -4.796 -4.710 -5.230 1.00 7.26 C ATOM 474 O ILE A 30 -5.663 -5.503 -4.855 1.00 9.46 O ATOM 475 CB ILE A 30 -3.529 -3.803 -3.264 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.289 -3.850 -2.422 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.717 -4.156 -2.381 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.184 -2.709 -1.400 1.00 2.00 C ATOM 0 H ILE A 30 -1.844 -3.633 -5.298 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.139 -5.672 -4.145 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.654 -2.793 -3.656 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.258 -4.802 -1.892 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.417 -3.820 -3.076 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.730 -3.502 -1.509 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.641 -4.027 -2.945 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.633 -5.193 -2.055 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.260 -2.814 -0.831 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.182 -1.752 -1.922 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.035 -2.750 -0.721 1.00 2.00 H new ATOM 490 N GLN A 31 -5.031 -3.916 -6.282 1.00 7.06 N ATOM 491 CA GLN A 31 -6.361 -4.027 -7.002 1.00 8.67 C ATOM 492 C GLN A 31 -6.477 -5.411 -7.691 1.00 10.90 C ATOM 493 O GLN A 31 -7.500 -6.122 -7.598 1.00 9.63 O ATOM 494 CB GLN A 31 -6.468 -2.945 -8.108 1.00 9.12 C ATOM 495 CG GLN A 31 -7.750 -2.914 -8.972 1.00 10.76 C ATOM 496 CD GLN A 31 -7.779 -1.771 -9.985 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.679 -0.916 -9.927 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.836 -1.725 -10.948 1.00 14.76 N ATOM 0 H GLN A 31 -4.382 -3.224 -6.656 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.153 -3.895 -6.265 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.362 -1.970 -7.632 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.617 -3.067 -8.778 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.843 -3.861 -9.503 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.617 -2.830 -8.317 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.105 -2.435 -10.980 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.854 -0.980 -11.644 1.00 14.76 H new ATOM 507 N ASP A 32 -5.405 -5.875 -8.334 1.00 10.93 N ATOM 508 CA ASP A 32 -5.269 -7.234 -8.821 1.00 14.01 C ATOM 509 C ASP A 32 -5.552 -8.230 -7.681 1.00 14.04 C ATOM 510 O ASP A 32 -6.467 -9.067 -7.734 1.00 13.39 O ATOM 511 CB ASP A 32 -3.977 -7.416 -9.614 1.00 18.01 C ATOM 512 CG ASP A 32 -4.070 -6.570 -10.893 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.889 -6.880 -11.817 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.320 -5.545 -11.064 1.00 26.29 O ATOM 0 H ASP A 32 -4.590 -5.295 -8.532 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.030 -7.463 -9.566 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.119 -7.108 -9.017 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.830 -8.467 -9.864 1.00 18.01 H new ATOM 519 N LYS A 33 -4.825 -8.117 -6.566 1.00 14.22 N ATOM 520 CA LYS A 33 -5.147 -8.933 -5.357 1.00 14.00 C ATOM 521 C LYS A 33 -6.583 -8.779 -4.745 1.00 12.37 C ATOM 522 O LYS A 33 -7.222 -9.826 -4.539 1.00 12.17 O ATOM 523 CB LYS A 33 -4.161 -8.646 -4.257 1.00 18.62 C ATOM 524 CG LYS A 33 -2.837 -9.328 -4.526 1.00 24.00 C ATOM 525 CD LYS A 33 -2.952 -10.884 -4.415 1.00 27.61 C ATOM 526 CE LYS A 33 -1.698 -11.644 -4.747 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.934 -13.096 -4.915 1.00 30.06 N ATOM 0 H LYS A 33 -4.027 -7.490 -6.460 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.092 -9.953 -5.738 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.009 -7.570 -4.171 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.564 -8.988 -3.304 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.486 -9.060 -5.522 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.092 -8.967 -3.817 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.254 -11.138 -3.399 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.749 -11.222 -5.078 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.267 -11.242 -5.664 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.965 -11.489 -3.956 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.036 -13.570 -5.142 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.319 -13.489 -4.033 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.612 -13.250 -5.688 1.00 30.06 H new ATOM 541 N GLU A 34 -7.118 -7.658 -4.422 1.00 10.11 N ATOM 542 CA GLU A 34 -8.287 -7.495 -3.590 1.00 10.07 C ATOM 543 C GLU A 34 -9.537 -7.001 -4.273 1.00 9.32 C ATOM 544 O GLU A 34 -10.590 -7.052 -3.641 1.00 11.61 O ATOM 545 CB GLU A 34 -8.044 -6.572 -2.354 1.00 14.77 C ATOM 546 CG GLU A 34 -7.539 -7.393 -1.200 1.00 18.75 C ATOM 547 CD GLU A 34 -8.561 -8.462 -0.718 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.567 -8.157 -0.020 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.309 -9.657 -1.071 1.00 25.19 O ATOM 0 H GLU A 34 -6.739 -6.767 -4.744 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.461 -8.527 -3.286 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.321 -5.796 -2.604 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.970 -6.068 -2.077 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.614 -7.889 -1.493 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.296 -6.730 -0.369 1.00 18.75 H new ATOM 556 N GLY A 35 -9.456 -6.494 -5.498 1.00 7.22 N ATOM 557 CA GLY A 35 -10.606 -5.941 -6.221 1.00 6.29 C ATOM 558 C GLY A 35 -11.088 -4.606 -5.659 1.00 6.93 C ATOM 559 O GLY A 35 -12.261 -4.296 -5.505 1.00 7.41 O ATOM 0 H GLY A 35 -8.584 -6.453 -6.026 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.338 -5.810 -7.270 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.426 -6.658 -6.188 1.00 6.29 H new ATOM 563 N ILE A 36 -10.104 -3.714 -5.367 1.00 5.86 N ATOM 564 CA ILE A 36 -10.286 -2.357 -4.841 1.00 6.07 C ATOM 565 C ILE A 36 -9.591 -1.308 -5.797 1.00 6.36 C ATOM 566 O ILE A 36 -8.372 -1.452 -5.904 1.00 6.18 O ATOM 567 CB ILE A 36 -9.760 -2.198 -3.442 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.098 -3.310 -2.576 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.422 -0.882 -2.932 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.182 -3.421 -1.348 1.00 9.49 C ATOM 0 H ILE A 36 -9.120 -3.944 -5.503 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.360 -2.174 -4.802 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.670 -2.167 -3.435 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.130 -3.202 -2.243 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.043 -4.237 -3.147 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.095 -0.682 -1.912 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.128 -0.053 -3.576 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.507 -0.989 -2.951 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.488 -4.273 -0.741 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.151 -3.560 -1.674 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.255 -2.509 -0.756 1.00 9.49 H new ATOM 582 N PRO A 37 -10.244 -0.338 -6.377 1.00 8.65 N ATOM 583 CA PRO A 37 -9.629 0.781 -7.037 1.00 9.18 C ATOM 584 C PRO A 37 -8.588 1.474 -6.156 1.00 9.85 C ATOM 585 O PRO A 37 -8.930 1.724 -5.053 1.00 8.51 O ATOM 586 CB PRO A 37 -10.778 1.777 -7.294 1.00 11.42 C ATOM 587 CG PRO A 37 -12.028 1.019 -7.394 1.00 9.27 C ATOM 588 CD PRO A 37 -11.709 -0.218 -6.509 1.00 8.33 C ATOM 0 HA PRO A 37 -9.117 0.448 -7.940 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.838 2.504 -6.485 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.598 2.336 -8.212 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.882 1.583 -7.018 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.258 0.740 -8.422 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.170 -0.109 -5.527 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.124 -1.121 -6.957 1.00 8.33 H new ATOM 596 N PRO A 38 -7.408 1.895 -6.619 1.00 8.71 N ATOM 597 CA PRO A 38 -6.356 2.549 -5.806 1.00 9.08 C ATOM 598 C PRO A 38 -6.825 3.788 -5.060 1.00 9.28 C ATOM 599 O PRO A 38 -6.342 3.971 -3.946 1.00 6.50 O ATOM 600 CB PRO A 38 -5.261 2.828 -6.803 1.00 10.31 C ATOM 601 CG PRO A 38 -5.302 1.595 -7.688 1.00 10.81 C ATOM 602 CD PRO A 38 -6.825 1.481 -7.892 1.00 12.00 C ATOM 0 HA PRO A 38 -6.023 1.912 -4.986 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.450 3.740 -7.369 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.292 2.948 -6.319 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -4.763 1.734 -8.625 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.877 0.716 -7.203 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.163 2.120 -8.708 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.114 0.461 -8.146 1.00 12.00 H new ATOM 610 N ASP A 39 -7.712 4.602 -5.653 1.00 11.20 N ATOM 611 CA ASP A 39 -8.131 5.812 -5.028 1.00 14.96 C ATOM 612 C ASP A 39 -9.332 5.601 -4.070 1.00 13.99 C ATOM 613 O ASP A 39 -9.872 6.568 -3.537 1.00 13.75 O ATOM 614 CB ASP A 39 -8.528 6.848 -6.048 1.00 24.16 C ATOM 615 CG ASP A 39 -7.305 7.264 -6.824 1.00 31.06 C ATOM 616 OD1 ASP A 39 -6.348 7.833 -6.193 1.00 35.55 O ATOM 617 OD2 ASP A 39 -7.298 7.112 -8.074 1.00 34.22 O ATOM 0 H ASP A 39 -8.138 4.423 -6.562 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.271 6.156 -4.453 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.282 6.443 -6.722 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -8.973 7.712 -5.554 1.00 24.16 H new ATOM 622 N GLN A 40 -9.795 4.366 -3.740 1.00 11.60 N ATOM 623 CA GLN A 40 -10.644 4.021 -2.651 1.00 10.76 C ATOM 624 C GLN A 40 -9.760 3.451 -1.585 1.00 8.01 C ATOM 625 O GLN A 40 -10.220 3.266 -0.499 1.00 8.96 O ATOM 626 CB GLN A 40 -11.662 2.950 -3.100 1.00 11.14 C ATOM 627 CG GLN A 40 -12.933 2.849 -2.276 1.00 14.85 C ATOM 628 CD GLN A 40 -13.682 1.550 -2.627 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.623 0.495 -1.962 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.269 1.475 -3.847 1.00 18.16 N ATOM 0 H GLN A 40 -9.544 3.547 -4.294 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.195 4.890 -2.292 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.939 3.153 -4.135 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.167 1.979 -3.087 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.690 2.864 -1.213 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.572 3.711 -2.469 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.342 2.309 -4.430 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.637 0.585 -4.182 1.00 18.16 H new ATOM 639 N GLN A 41 -8.412 3.413 -1.807 1.00 6.52 N ATOM 640 CA GLN A 41 -7.512 2.764 -0.799 1.00 3.87 C ATOM 641 C GLN A 41 -6.605 3.769 -0.143 1.00 4.79 C ATOM 642 O GLN A 41 -6.190 4.735 -0.777 1.00 6.34 O ATOM 643 CB GLN A 41 -6.592 1.718 -1.538 1.00 4.20 C ATOM 644 CG GLN A 41 -7.213 0.502 -2.147 1.00 3.20 C ATOM 645 CD GLN A 41 -6.151 -0.314 -2.909 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.078 -0.549 -2.325 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.325 -0.644 -4.200 1.00 7.13 N ATOM 0 H GLN A 41 -7.943 3.800 -2.626 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.141 2.294 -0.043 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.063 2.248 -2.330 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.841 1.380 -0.824 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.665 -0.113 -1.369 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.013 0.795 -2.826 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.212 -0.444 -4.663 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.570 -1.095 -4.717 1.00 7.13 H new ATOM 656 N ARG A 42 -6.328 3.564 1.122 1.00 5.73 N ATOM 657 CA ARG A 42 -5.320 4.281 1.933 1.00 6.97 C ATOM 658 C ARG A 42 -4.333 3.282 2.547 1.00 7.15 C ATOM 659 O ARG A 42 -4.659 2.113 2.611 1.00 7.33 O ATOM 660 CB ARG A 42 -5.983 5.255 2.908 1.00 13.23 C ATOM 661 CG ARG A 42 -6.488 6.556 2.194 1.00 21.27 C ATOM 662 CD ARG A 42 -7.202 7.392 3.191 1.00 26.14 C ATOM 663 NE ARG A 42 -7.543 8.700 2.674 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.528 9.458 3.213 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.289 9.021 4.260 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.782 10.682 2.815 1.00 36.39 N ATOM 0 H ARG A 42 -6.819 2.853 1.664 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.711 4.927 1.300 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.823 4.762 3.397 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.272 5.524 3.690 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.648 7.106 1.770 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.152 6.302 1.368 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.112 6.880 3.505 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.579 7.506 4.078 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.023 9.064 1.875 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.123 8.098 4.660 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.023 9.618 4.641 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.227 11.101 2.069 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.535 11.214 3.251 1.00 36.39 H new ATOM 680 N LEU A 43 -3.126 3.771 2.877 1.00 4.65 N ATOM 681 CA LEU A 43 -2.024 2.856 3.132 1.00 3.51 C ATOM 682 C LEU A 43 -1.207 3.309 4.320 1.00 5.56 C ATOM 683 O LEU A 43 -0.918 4.483 4.414 1.00 4.19 O ATOM 684 CB LEU A 43 -1.107 2.539 1.947 1.00 3.74 C ATOM 685 CG LEU A 43 -0.458 1.129 1.815 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.414 -0.081 1.688 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.579 1.132 0.648 1.00 6.41 C ATOM 0 H LEU A 43 -2.902 4.762 2.969 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.524 1.911 3.345 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.681 2.717 1.037 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.297 3.268 1.961 1.00 3.74 H new ATOM 0 HG LEU A 43 0.022 0.967 2.780 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.831 -0.998 1.604 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -2.051 -0.136 2.571 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.035 0.037 0.800 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.030 0.144 0.560 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.076 1.386 -0.285 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.356 1.868 0.853 1.00 6.41 H new ATOM 699 N ILE A 44 -0.830 2.470 5.319 1.00 4.58 N ATOM 700 CA ILE A 44 -0.235 3.011 6.511 1.00 5.55 C ATOM 701 C ILE A 44 1.084 2.262 6.705 1.00 5.46 C ATOM 702 O ILE A 44 1.160 1.033 6.777 1.00 6.04 O ATOM 703 CB ILE A 44 -1.082 2.900 7.753 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.454 3.646 7.647 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.316 3.330 9.035 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.400 3.317 8.841 1.00 13.90 C ATOM 0 H ILE A 44 -0.933 1.455 5.302 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.106 4.084 6.372 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.311 1.838 7.839 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.279 4.721 7.611 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.943 3.371 6.712 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.971 3.231 9.901 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.559 2.693 9.167 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.002 4.368 8.938 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.338 3.858 8.722 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.599 2.246 8.863 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.925 3.616 9.775 1.00 13.90 H new ATOM 718 N PHE A 45 2.119 3.058 7.003 1.00 6.75 N ATOM 719 CA PHE A 45 3.395 2.494 7.509 1.00 4.70 C ATOM 720 C PHE A 45 4.105 3.661 8.153 1.00 6.34 C ATOM 721 O PHE A 45 3.831 4.795 7.796 1.00 5.45 O ATOM 722 CB PHE A 45 4.189 1.871 6.364 1.00 5.51 C ATOM 723 CG PHE A 45 5.494 1.308 6.779 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.586 0.101 7.525 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.684 2.017 6.487 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.832 -0.481 7.756 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.902 1.506 6.941 1.00 6.64 C ATOM 728 CZ PHE A 45 7.985 0.212 7.469 1.00 6.84 C ATOM 0 H PHE A 45 2.109 4.074 6.908 1.00 6.75 H new ATOM 0 HA PHE A 45 3.254 1.688 8.229 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.592 1.082 5.907 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.357 2.627 5.597 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.692 -0.365 7.912 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.651 2.937 5.923 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.892 -1.480 8.162 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.791 2.117 6.884 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.949 -0.240 7.650 1.00 6.84 H new ATOM 738 N ALA A 46 4.982 3.434 9.181 1.00 6.53 N ATOM 739 CA ALA A 46 5.756 4.388 9.948 1.00 7.15 C ATOM 740 C ALA A 46 4.891 5.459 10.640 1.00 9.00 C ATOM 741 O ALA A 46 5.279 6.647 10.804 1.00 11.15 O ATOM 742 CB ALA A 46 6.788 5.068 9.059 1.00 8.99 C ATOM 0 H ALA A 46 5.160 2.482 9.500 1.00 6.53 H new ATOM 0 HA ALA A 46 6.250 3.817 10.734 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.362 5.782 9.649 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.460 4.318 8.642 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.281 5.591 8.248 1.00 8.99 H new ATOM 748 N GLY A 47 3.703 5.016 11.118 1.00 9.35 N ATOM 749 CA GLY A 47 2.781 5.796 11.858 1.00 11.68 C ATOM 750 C GLY A 47 1.875 6.692 11.089 1.00 11.14 C ATOM 751 O GLY A 47 1.031 7.366 11.742 1.00 13.93 O ATOM 0 H GLY A 47 3.382 4.059 10.972 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.164 5.119 12.449 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.345 6.409 12.561 1.00 11.68 H new ATOM 755 N LYS A 48 1.948 6.754 9.769 1.00 10.47 N ATOM 756 CA LYS A 48 1.416 7.697 8.810 1.00 8.82 C ATOM 757 C LYS A 48 0.776 7.001 7.581 1.00 7.68 C ATOM 758 O LYS A 48 1.175 5.941 7.079 1.00 6.47 O ATOM 759 CB LYS A 48 2.456 8.631 8.311 1.00 9.74 C ATOM 760 CG LYS A 48 3.803 7.988 7.784 1.00 14.14 C ATOM 761 CD LYS A 48 4.954 8.930 7.403 1.00 16.32 C ATOM 762 CE LYS A 48 6.270 8.233 7.044 1.00 20.04 C ATOM 763 NZ LYS A 48 7.325 9.252 6.803 1.00 23.92 N ATOM 0 H LYS A 48 2.465 6.026 9.276 1.00 10.47 H new ATOM 0 HA LYS A 48 0.649 8.248 9.354 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.023 9.221 7.503 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.703 9.325 9.115 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.170 7.307 8.552 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.564 7.383 6.909 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.640 9.539 6.555 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.136 9.611 8.234 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.572 7.566 7.852 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.136 7.617 6.155 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.217 8.777 6.559 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.037 9.871 6.018 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.460 9.822 7.662 1.00 23.92 H new ATOM 777 N GLN A 49 -0.231 7.609 7.019 1.00 8.89 N ATOM 778 CA GLN A 49 -0.794 7.213 5.723 1.00 7.18 C ATOM 779 C GLN A 49 0.119 7.639 4.485 1.00 8.23 C ATOM 780 O GLN A 49 0.418 8.854 4.308 1.00 9.70 O ATOM 781 CB GLN A 49 -2.255 7.755 5.615 1.00 11.67 C ATOM 782 CG GLN A 49 -3.174 7.131 6.623 1.00 15.82 C ATOM 783 CD GLN A 49 -4.510 7.879 6.477 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.577 7.297 6.255 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.434 9.192 6.625 1.00 20.67 N ATOM 0 H GLN A 49 -0.703 8.408 7.441 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.819 6.124 5.676 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.249 8.836 5.753 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.637 7.564 4.612 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.298 6.065 6.434 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.776 7.232 7.633 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.533 9.633 6.807 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.277 9.763 6.557 1.00 20.67 H new ATOM 794 N LEU A 50 0.547 6.723 3.671 1.00 6.51 N ATOM 795 CA LEU A 50 1.471 6.848 2.571 1.00 7.41 C ATOM 796 C LEU A 50 0.902 7.589 1.363 1.00 8.27 C ATOM 797 O LEU A 50 -0.288 7.393 1.144 1.00 8.34 O ATOM 798 CB LEU A 50 2.130 5.522 2.158 1.00 7.13 C ATOM 799 CG LEU A 50 2.659 4.639 3.369 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.493 3.489 2.800 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.504 5.465 4.374 1.00 9.11 C ATOM 0 H LEU A 50 0.224 5.760 3.768 1.00 6.51 H new ATOM 0 HA LEU A 50 2.264 7.478 2.974 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.410 4.936 1.586 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.965 5.739 1.492 1.00 7.13 H new ATOM 0 HG LEU A 50 1.800 4.257 3.921 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.865 2.871 3.617 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.874 2.883 2.139 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.335 3.893 2.238 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.842 4.818 5.183 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.368 5.888 3.862 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.896 6.271 4.785 1.00 9.11 H new ATOM 813 N GLU A 51 1.595 8.449 0.680 1.00 9.43 N ATOM 814 CA GLU A 51 1.047 9.328 -0.394 1.00 11.90 C ATOM 815 C GLU A 51 1.338 8.817 -1.813 1.00 11.49 C ATOM 816 O GLU A 51 2.389 8.252 -2.046 1.00 9.88 O ATOM 817 CB GLU A 51 1.579 10.742 -0.088 1.00 16.56 C ATOM 818 CG GLU A 51 1.386 11.176 1.389 1.00 26.06 C ATOM 819 CD GLU A 51 1.784 12.669 1.558 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.021 13.570 1.093 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.919 13.039 2.004 1.00 32.13 O ATOM 0 H GLU A 51 2.594 8.588 0.834 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.043 9.333 -0.387 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.640 10.782 -0.333 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.075 11.458 -0.737 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.347 11.032 1.687 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.995 10.552 2.043 1.00 26.06 H new ATOM 828 N ASP A 52 0.340 8.933 -2.751 1.00 12.71 N ATOM 829 CA ASP A 52 0.303 8.198 -4.036 1.00 16.56 C ATOM 830 C ASP A 52 1.562 8.332 -4.961 1.00 15.83 C ATOM 831 O ASP A 52 2.090 7.320 -5.371 1.00 17.21 O ATOM 832 CB ASP A 52 -0.889 8.672 -4.896 1.00 21.05 C ATOM 833 CG ASP A 52 -2.147 8.416 -4.150 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.647 9.227 -3.331 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.675 7.311 -4.395 1.00 25.82 O ATOM 0 H ASP A 52 -0.463 9.549 -2.621 1.00 12.71 H new ATOM 0 HA ASP A 52 0.237 7.160 -3.710 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.793 9.734 -5.122 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.901 8.143 -5.849 1.00 21.05 H new ATOM 840 N GLY A 53 2.116 9.505 -5.130 1.00 15.00 N ATOM 841 CA GLY A 53 3.177 9.875 -6.069 1.00 11.77 C ATOM 842 C GLY A 53 4.592 9.518 -5.529 1.00 11.10 C ATOM 843 O GLY A 53 5.625 9.813 -6.201 1.00 11.25 O ATOM 0 H GLY A 53 1.819 10.305 -4.571 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.013 9.365 -7.018 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.126 10.945 -6.269 1.00 11.77 H new ATOM 847 N ARG A 54 4.617 8.825 -4.339 1.00 8.53 N ATOM 848 CA ARG A 54 5.703 8.721 -3.512 1.00 9.05 C ATOM 849 C ARG A 54 6.166 7.260 -3.441 1.00 8.96 C ATOM 850 O ARG A 54 5.356 6.328 -3.378 1.00 11.60 O ATOM 851 CB ARG A 54 5.350 9.238 -2.085 1.00 7.97 C ATOM 852 CG ARG A 54 6.521 9.528 -1.107 1.00 9.62 C ATOM 853 CD ARG A 54 7.222 10.852 -1.372 1.00 12.20 C ATOM 854 NE ARG A 54 6.133 11.852 -1.278 1.00 18.23 N ATOM 855 CZ ARG A 54 5.578 12.456 -0.171 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.940 12.074 1.049 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.548 13.289 -0.229 1.00 23.38 N ATOM 0 H ARG A 54 3.801 8.327 -3.983 1.00 8.53 H new ATOM 0 HA ARG A 54 6.510 9.333 -3.914 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.771 10.155 -2.195 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.696 8.503 -1.615 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.139 9.526 -0.086 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.250 8.720 -1.176 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.006 11.044 -0.639 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.694 10.865 -2.354 1.00 12.20 H new ATOM 0 HE ARG A 54 5.732 12.138 -2.171 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.630 11.332 1.167 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.528 12.523 1.867 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.123 13.513 -1.129 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.180 13.706 0.626 1.00 23.38 H new ATOM 871 N THR A 55 7.484 7.093 -3.609 1.00 9.05 N ATOM 872 CA THR A 55 8.132 5.838 -3.665 1.00 9.03 C ATOM 873 C THR A 55 8.433 5.174 -2.354 1.00 8.15 C ATOM 874 O THR A 55 8.757 5.801 -1.343 1.00 5.91 O ATOM 875 CB THR A 55 9.374 5.832 -4.434 1.00 11.15 C ATOM 876 OG1 THR A 55 10.309 6.779 -3.918 1.00 11.95 O ATOM 877 CG2 THR A 55 9.128 6.245 -5.942 1.00 11.71 C ATOM 0 H THR A 55 8.127 7.879 -3.711 1.00 9.05 H new ATOM 0 HA THR A 55 7.358 5.261 -4.171 1.00 9.03 H new ATOM 0 HB THR A 55 9.758 4.814 -4.363 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.190 6.358 -3.838 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.074 6.229 -6.483 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.435 5.542 -6.403 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.705 7.249 -5.980 1.00 11.71 H new ATOM 885 N LEU A 56 8.469 3.847 -2.375 1.00 6.91 N ATOM 886 CA LEU A 56 8.939 2.923 -1.328 1.00 8.29 C ATOM 887 C LEU A 56 10.375 3.259 -0.841 1.00 8.05 C ATOM 888 O LEU A 56 10.680 3.207 0.334 1.00 10.17 O ATOM 889 CB LEU A 56 8.846 1.418 -1.794 1.00 6.60 C ATOM 890 CG LEU A 56 7.430 0.820 -2.065 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.554 -0.510 -2.821 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.598 0.699 -0.826 1.00 8.64 C ATOM 0 H LEU A 56 8.143 3.336 -3.195 1.00 6.91 H new ATOM 0 HA LEU A 56 8.269 3.058 -0.479 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.432 1.315 -2.707 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.328 0.803 -1.034 1.00 6.60 H new ATOM 0 HG LEU A 56 6.891 1.524 -2.699 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.560 -0.918 -3.005 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.059 -0.342 -3.772 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.131 -1.216 -2.224 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.626 0.277 -1.080 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.101 0.047 -0.112 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.461 1.685 -0.382 1.00 8.64 H new ATOM 904 N SER A 57 11.271 3.741 -1.771 1.00 8.92 N ATOM 905 CA SER A 57 12.593 4.169 -1.442 1.00 9.00 C ATOM 906 C SER A 57 12.665 5.463 -0.588 1.00 9.44 C ATOM 907 O SER A 57 13.484 5.595 0.317 1.00 10.91 O ATOM 908 CB SER A 57 13.309 4.355 -2.798 1.00 10.32 C ATOM 909 OG SER A 57 12.656 5.405 -3.541 1.00 13.59 O ATOM 0 H SER A 57 11.050 3.826 -2.763 1.00 8.92 H new ATOM 0 HA SER A 57 13.068 3.422 -0.805 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.358 4.605 -2.637 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.287 3.424 -3.365 1.00 10.32 H new ATOM 0 HG SER A 57 13.109 5.527 -4.402 1.00 13.59 H new ATOM 915 N ASP A 58 11.851 6.455 -0.872 1.00 9.11 N ATOM 916 CA ASP A 58 11.691 7.706 -0.170 1.00 7.91 C ATOM 917 C ASP A 58 11.015 7.516 1.204 1.00 9.12 C ATOM 918 O ASP A 58 11.213 8.274 2.146 1.00 8.61 O ATOM 919 CB ASP A 58 10.859 8.550 -1.139 1.00 8.41 C ATOM 920 CG ASP A 58 10.860 10.061 -0.746 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.635 10.359 0.419 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.025 10.822 -1.723 1.00 11.70 O ATOM 0 H ASP A 58 11.226 6.399 -1.676 1.00 9.11 H new ATOM 0 HA ASP A 58 12.639 8.183 0.079 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.254 8.438 -2.149 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.834 8.180 -1.154 1.00 8.41 H new ATOM 927 N TYR A 59 10.226 6.464 1.418 1.00 7.97 N ATOM 928 CA TYR A 59 9.733 6.091 2.744 1.00 8.45 C ATOM 929 C TYR A 59 10.634 5.029 3.459 1.00 10.98 C ATOM 930 O TYR A 59 10.340 4.553 4.554 1.00 12.95 O ATOM 931 CB TYR A 59 8.354 5.465 2.635 1.00 7.94 C ATOM 932 CG TYR A 59 7.231 6.432 2.315 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.921 7.392 3.297 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.441 6.345 1.203 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.894 8.312 3.133 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.366 7.217 0.998 1.00 6.52 C ATOM 937 CZ TYR A 59 5.100 8.276 1.957 1.00 6.76 C ATOM 938 OH TYR A 59 4.138 9.259 1.777 1.00 7.63 O ATOM 0 H TYR A 59 9.909 5.843 0.673 1.00 7.97 H new ATOM 0 HA TYR A 59 9.728 7.016 3.321 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.381 4.696 1.863 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.124 4.964 3.575 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.501 7.414 4.208 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.651 5.585 0.465 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.700 9.051 3.896 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.735 7.103 0.129 1.00 6.52 H new ATOM 0 HH TYR A 59 4.541 10.141 1.920 1.00 7.63 H new ATOM 948 N ASN A 60 11.714 4.671 2.801 1.00 12.38 N ATOM 949 CA ASN A 60 12.812 3.738 3.124 1.00 13.94 C ATOM 950 C ASN A 60 12.329 2.372 3.435 1.00 14.16 C ATOM 951 O ASN A 60 12.904 1.682 4.302 1.00 14.26 O ATOM 952 CB ASN A 60 13.670 4.304 4.284 1.00 19.23 C ATOM 953 CG ASN A 60 14.269 5.628 3.853 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.763 6.670 4.317 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.311 5.713 3.007 1.00 24.09 N ATOM 0 H ASN A 60 11.882 5.083 1.883 1.00 12.38 H new ATOM 0 HA ASN A 60 13.433 3.647 2.233 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.056 4.440 5.175 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.460 3.601 4.546 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.684 6.626 2.747 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.728 4.864 2.625 1.00 24.09 H new ATOM 962 N ILE A 61 11.335 1.875 2.696 1.00 11.08 N ATOM 963 CA ILE A 61 10.755 0.571 2.911 1.00 11.78 C ATOM 964 C ILE A 61 11.644 -0.595 2.401 1.00 13.74 C ATOM 965 O ILE A 61 12.179 -0.529 1.329 1.00 14.60 O ATOM 966 CB ILE A 61 9.367 0.523 2.306 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.511 1.558 3.092 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.668 -0.833 2.424 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.215 2.015 2.323 1.00 11.42 C ATOM 0 H ILE A 61 10.911 2.385 1.921 1.00 11.08 H new ATOM 0 HA ILE A 61 10.683 0.423 3.988 1.00 11.78 H new ATOM 0 HB ILE A 61 9.465 0.729 1.240 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.222 1.126 4.050 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.123 2.434 3.309 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.681 -0.775 1.965 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.261 -1.593 1.916 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.563 -1.098 3.476 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.667 2.736 2.930 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.497 2.477 1.377 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.582 1.149 2.129 1.00 11.42 H new ATOM 981 N GLN A 62 11.757 -1.672 3.188 1.00 13.97 N ATOM 982 CA GLN A 62 12.747 -2.780 3.001 1.00 15.52 C ATOM 983 C GLN A 62 12.063 -4.085 2.740 1.00 13.94 C ATOM 984 O GLN A 62 10.873 -4.250 2.982 1.00 12.15 O ATOM 985 CB GLN A 62 13.669 -2.930 4.231 1.00 19.53 C ATOM 986 CG GLN A 62 14.423 -1.640 4.665 1.00 26.38 C ATOM 987 CD GLN A 62 15.317 -1.110 3.625 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.421 -1.654 3.474 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.000 0.009 2.922 1.00 32.71 N ATOM 0 H GLN A 62 11.154 -1.816 3.998 1.00 13.97 H new ATOM 0 HA GLN A 62 13.352 -2.514 2.134 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.070 -3.280 5.072 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.405 -3.706 4.019 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.695 -0.875 4.932 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.006 -1.852 5.561 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.090 0.452 3.051 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.672 0.406 2.265 1.00 32.71 H new ATOM 998 N LYS A 63 12.746 -5.078 2.093 1.00 11.73 N ATOM 999 CA LYS A 63 12.206 -6.430 1.797 1.00 11.97 C ATOM 1000 C LYS A 63 11.508 -7.066 2.927 1.00 10.41 C ATOM 1001 O LYS A 63 12.069 -6.967 4.011 1.00 9.59 O ATOM 1002 CB LYS A 63 13.261 -7.355 1.218 1.00 13.73 C ATOM 1003 CG LYS A 63 14.391 -7.691 2.180 1.00 16.98 C ATOM 1004 CD LYS A 63 15.273 -8.886 1.609 1.00 20.19 C ATOM 1005 CE LYS A 63 16.302 -9.443 2.697 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.996 -10.592 2.147 1.00 25.97 N ATOM 0 H LYS A 63 13.702 -4.952 1.760 1.00 11.73 H new ATOM 0 HA LYS A 63 11.445 -6.259 1.035 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.782 -8.281 0.901 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.684 -6.893 0.326 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.017 -6.812 2.336 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.980 -7.967 3.151 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.620 -9.694 1.281 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.822 -8.544 0.732 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.017 -8.667 2.971 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.772 -9.724 3.607 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.668 -10.961 2.850 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.306 -11.332 1.906 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.512 -10.308 1.290 1.00 25.97 H new ATOM 1020 N GLU A 64 10.302 -7.662 2.781 1.00 10.04 N ATOM 1021 CA GLU A 64 9.553 -8.522 3.663 1.00 10.94 C ATOM 1022 C GLU A 64 9.024 -7.771 4.795 1.00 9.74 C ATOM 1023 O GLU A 64 8.403 -8.313 5.662 1.00 9.42 O ATOM 1024 CB GLU A 64 10.310 -9.800 4.129 1.00 18.31 C ATOM 1025 CG GLU A 64 10.648 -10.611 2.908 1.00 24.16 C ATOM 1026 CD GLU A 64 11.502 -11.773 3.455 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.225 -12.452 4.495 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.547 -12.036 2.770 1.00 31.72 O ATOM 0 H GLU A 64 9.781 -7.516 1.916 1.00 10.04 H new ATOM 0 HA GLU A 64 8.723 -8.897 3.064 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.217 -9.530 4.670 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.692 -10.381 4.813 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.750 -10.976 2.410 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.200 -10.020 2.177 1.00 24.16 H new ATOM 1035 N SER A 65 9.157 -6.449 4.789 1.00 6.85 N ATOM 1036 CA SER A 65 8.435 -5.482 5.613 1.00 6.90 C ATOM 1037 C SER A 65 6.946 -5.536 5.380 1.00 4.72 C ATOM 1038 O SER A 65 6.474 -5.999 4.332 1.00 3.91 O ATOM 1039 CB SER A 65 8.928 -4.020 5.390 1.00 7.28 C ATOM 1040 OG SER A 65 8.397 -3.044 6.178 1.00 10.56 O ATOM 0 H SER A 65 9.820 -5.991 4.164 1.00 6.85 H new ATOM 0 HA SER A 65 8.647 -5.769 6.643 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.010 -4.007 5.524 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.732 -3.755 4.351 1.00 7.28 H new ATOM 0 HG SER A 65 8.835 -2.190 5.981 1.00 10.56 H new ATOM 1046 N THR A 66 6.146 -5.086 6.360 1.00 4.48 N ATOM 1047 CA THR A 66 4.663 -5.208 6.291 1.00 3.80 C ATOM 1048 C THR A 66 4.096 -3.873 6.355 1.00 4.60 C ATOM 1049 O THR A 66 4.339 -3.078 7.297 1.00 5.33 O ATOM 1050 CB THR A 66 4.150 -6.108 7.406 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.606 -7.442 7.380 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.597 -6.136 7.458 1.00 3.40 C ATOM 0 H THR A 66 6.489 -4.636 7.208 1.00 4.48 H new ATOM 0 HA THR A 66 4.358 -5.675 5.354 1.00 3.80 H new ATOM 0 HB THR A 66 4.571 -5.645 8.298 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.222 -7.934 8.136 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.272 -6.790 8.267 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.221 -5.128 7.632 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.208 -6.510 6.511 1.00 3.40 H new ATOM 1060 N LEU A 67 3.248 -3.574 5.323 1.00 4.17 N ATOM 1061 CA LEU A 67 2.516 -2.304 5.299 1.00 3.85 C ATOM 1062 C LEU A 67 1.060 -2.672 5.595 1.00 3.80 C ATOM 1063 O LEU A 67 0.656 -3.835 5.621 1.00 5.54 O ATOM 1064 CB LEU A 67 2.530 -1.590 3.963 1.00 7.18 C ATOM 1065 CG LEU A 67 3.877 -1.519 3.144 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.810 -0.513 1.958 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.053 -1.230 4.048 1.00 11.66 C ATOM 0 H LEU A 67 3.070 -4.187 4.527 1.00 4.17 H new ATOM 0 HA LEU A 67 2.987 -1.629 6.014 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.784 -2.068 3.328 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.195 -0.567 4.134 1.00 7.18 H new ATOM 0 HG LEU A 67 4.024 -2.504 2.702 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.764 -0.507 1.432 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.019 -0.813 1.271 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.600 0.486 2.340 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.966 -1.187 3.455 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.901 -0.274 4.549 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.142 -2.020 4.794 1.00 11.66 H new ATOM 1079 N HIS A 68 0.211 -1.672 5.938 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.144 -1.851 6.441 1.00 4.17 C ATOM 1081 C HIS A 68 -2.144 -1.104 5.678 1.00 5.32 C ATOM 1082 O HIS A 68 -1.851 -0.030 5.190 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.128 -1.232 7.890 1.00 5.57 C ATOM 1084 CG HIS A 68 0.076 -1.752 8.718 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.190 -1.008 8.994 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.305 -2.943 9.311 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.031 -1.775 9.732 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.520 -2.956 9.979 1.00 16.30 N ATOM 0 H HIS A 68 0.475 -0.690 5.864 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.408 -2.907 6.387 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.081 -0.145 7.822 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.057 -1.480 8.403 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.359 -0.047 8.697 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.374 -3.782 9.270 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.003 -1.452 10.074 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.333 -1.648 5.461 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.326 -1.143 4.486 1.00 3.97 C ATOM 1098 C LEU A 69 -5.576 -0.664 5.151 1.00 5.07 C ATOM 1099 O LEU A 69 -6.190 -1.498 5.844 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.686 -2.357 3.514 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.744 -2.044 2.426 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.163 -1.272 1.254 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.414 -3.251 1.776 1.00 9.96 C ATOM 0 H LEU A 69 -3.655 -2.475 5.964 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.901 -0.295 3.949 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.772 -2.691 3.023 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.046 -3.190 4.118 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.475 -1.478 3.004 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.946 -1.079 0.521 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.756 -0.325 1.608 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.369 -1.857 0.791 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.134 -2.911 1.032 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.658 -3.870 1.293 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.929 -3.836 2.538 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.947 0.561 4.984 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.199 1.066 5.504 1.00 6.26 C ATOM 1117 C VAL A 70 -7.945 1.694 4.335 1.00 9.22 C ATOM 1118 O VAL A 70 -7.426 2.143 3.308 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.043 2.069 6.695 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.536 1.250 7.931 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.989 3.147 6.325 1.00 8.54 C ATOM 0 H VAL A 70 -5.394 1.255 4.481 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.759 0.236 5.935 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.990 2.561 6.916 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.415 1.917 8.784 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.262 0.475 8.177 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.578 0.787 7.693 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.878 3.847 7.153 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.031 2.666 6.126 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.316 3.686 5.436 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.255 1.610 4.347 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.123 2.043 3.263 1.00 16.06 C ATOM 1133 C LEU A 71 -10.339 3.553 3.344 1.00 18.09 C ATOM 1134 O LEU A 71 -10.302 4.140 4.414 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.431 1.261 3.136 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.946 1.036 1.691 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.881 0.338 0.809 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.263 0.173 1.671 1.00 19.57 C ATOM 0 H LEU A 71 -9.770 1.225 5.139 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.603 1.810 2.334 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.298 0.288 3.610 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.203 1.787 3.699 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.158 2.025 1.286 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.277 0.197 -0.197 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.985 0.957 0.762 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.630 -0.631 1.240 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.593 0.037 0.641 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.067 -0.800 2.121 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.042 0.684 2.237 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.597 4.257 2.206 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.910 5.693 2.208 1.00 25.83 C ATOM 1152 C ARG A 72 -12.257 6.117 2.962 1.00 27.74 C ATOM 1153 O ARG A 72 -13.247 5.382 2.925 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.746 6.184 0.788 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.869 7.733 0.545 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.511 8.101 -0.926 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.292 9.566 -1.115 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.982 10.104 -2.280 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.705 9.333 -3.291 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.767 11.400 -2.499 1.00 35.02 N ATOM 0 H ARG A 72 -10.591 3.839 1.276 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.202 6.220 2.848 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.768 5.862 0.430 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.492 5.685 0.170 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.885 8.059 0.768 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.206 8.265 1.228 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.611 7.562 -1.223 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.313 7.769 -1.585 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.386 10.180 -0.306 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.728 8.319 -3.181 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.465 9.742 -4.194 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.838 12.066 -1.730 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.532 11.727 -3.436 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.240 7.342 3.555 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.426 7.965 4.096 1.00 30.76 C ATOM 1176 C LEU A 73 -13.768 9.140 3.165 1.00 32.18 C ATOM 1177 O LEU A 73 -12.854 9.810 2.714 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.254 8.542 5.479 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.546 8.631 6.304 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.922 7.214 6.885 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.426 9.625 7.409 1.00 29.11 C ATOM 0 H LEU A 73 -11.395 7.903 3.659 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.194 7.194 4.164 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.532 7.934 6.024 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -12.826 9.541 5.390 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.341 8.968 5.639 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.840 7.292 7.468 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.071 6.512 6.064 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.115 6.857 7.525 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.360 9.660 7.970 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -13.613 9.333 8.074 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.217 10.610 6.991 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.040 9.371 2.821 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.400 10.461 1.944 1.00 35.33 C ATOM 1195 C ARG A 74 -15.887 11.685 2.699 1.00 36.22 C ATOM 1196 O ARG A 74 -15.987 12.773 2.189 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.511 10.059 0.928 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.041 9.179 -0.263 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.090 9.835 -1.249 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.273 8.771 -1.934 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.546 9.012 -2.992 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.219 10.271 -3.409 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.103 8.021 -3.735 1.00 41.93 N ATOM 0 H ARG A 74 -15.829 8.810 3.143 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.479 10.703 1.413 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.294 9.524 1.465 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.961 10.968 0.530 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.557 8.289 0.139 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.922 8.843 -0.809 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.651 10.410 -1.986 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.435 10.535 -0.730 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.288 7.824 -1.556 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.546 11.083 -2.885 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.647 10.399 -4.244 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.327 7.057 -3.486 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.536 8.216 -4.560 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.056 11.531 4.032 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.151 12.633 5.020 1.00 36.07 C ATOM 1219 C GLY A 75 -14.764 13.183 5.347 1.00 36.16 C ATOM 1220 O GLY A 75 -14.657 14.323 5.766 1.00 36.26 O ATOM 0 H GLY A 75 -16.132 10.610 4.464 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.780 13.430 4.624 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.629 12.272 5.931 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.717 12.391 4.977 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.372 12.737 5.418 1.00 36.19 C ATOM 1226 C GLY A 76 -11.408 12.113 4.465 1.00 36.20 C ATOM 1227 O GLY A 76 -11.303 12.508 3.265 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.782 11.153 4.919 1.00 0.00 O ATOM 0 H GLY A 76 -13.789 11.552 4.402 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.243 13.819 5.439 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.197 12.375 6.431 1.00 36.19 H new TER 1232 GLY A 76