USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0.536 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -179:sc= 0.661 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.594 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.766 (180deg=-0.87) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.42 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 1.15 (180deg=0.955) USER MOD Single : A 14 THR OG1 : rot -65:sc= 0.0341 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.11 K(o=1.1,f=-0.66) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.15 (180deg=0.0549!) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.163) USER MOD Single : A 31 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 55 THR OG1 : rot -49:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.165 USER MOD Single : A 60 ASN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.258 K(o=0.26,f=-4.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= 0.102 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.366 -7.525 -4.943 1.00 9.67 N ATOM 2 CA MET A 1 11.367 -7.935 -3.516 1.00 10.38 C ATOM 3 C MET A 1 9.976 -8.123 -2.944 1.00 9.62 C ATOM 4 O MET A 1 9.027 -7.573 -3.406 1.00 9.62 O ATOM 5 CB MET A 1 12.188 -6.972 -2.709 1.00 13.77 C ATOM 6 CG MET A 1 11.633 -5.544 -2.598 1.00 16.29 C ATOM 7 SD MET A 1 12.611 -4.654 -1.413 1.00 17.17 S ATOM 8 CE MET A 1 11.418 -3.260 -1.215 1.00 16.11 C ATOM 0 H1 MET A 1 12.328 -7.610 -5.329 1.00 9.67 H new ATOM 0 H2 MET A 1 10.722 -8.140 -5.480 1.00 9.67 H new ATOM 0 H3 MET A 1 11.048 -6.538 -5.020 1.00 9.67 H new ATOM 0 HA MET A 1 11.828 -8.921 -3.459 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.301 -7.376 -1.703 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.185 -6.920 -3.146 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.667 -5.047 -3.568 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.588 -5.566 -2.288 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.891 -2.453 -0.656 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.119 -2.894 -2.197 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.538 -3.608 -0.674 1.00 16.11 H new ATOM 20 N GLN A 2 9.837 -8.901 -1.863 1.00 9.27 N ATOM 21 CA GLN A 2 8.582 -9.314 -1.235 1.00 9.07 C ATOM 22 C GLN A 2 8.236 -8.366 -0.077 1.00 8.72 C ATOM 23 O GLN A 2 9.093 -8.003 0.748 1.00 8.22 O ATOM 24 CB GLN A 2 8.714 -10.717 -0.622 1.00 14.46 C ATOM 25 CG GLN A 2 7.439 -11.297 0.012 1.00 17.01 C ATOM 26 CD GLN A 2 7.494 -12.770 -0.145 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.061 -13.478 0.671 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.052 -13.286 -1.310 1.00 19.49 N ATOM 0 H GLN A 2 10.649 -9.280 -1.376 1.00 9.27 H new ATOM 0 HA GLN A 2 7.814 -9.300 -2.008 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.053 -11.401 -1.400 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.494 -10.688 0.139 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.377 -11.026 1.066 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.551 -10.892 -0.474 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.579 -12.687 -1.986 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.191 -14.276 -1.515 1.00 19.49 H new ATOM 37 N ILE A 3 6.983 -7.877 -0.032 1.00 5.87 N ATOM 38 CA ILE A 3 6.472 -7.085 1.064 1.00 5.07 C ATOM 39 C ILE A 3 5.072 -7.602 1.432 1.00 4.01 C ATOM 40 O ILE A 3 4.525 -8.304 0.643 1.00 4.61 O ATOM 41 CB ILE A 3 6.282 -5.613 0.697 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.562 -5.463 -0.653 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.646 -4.893 0.833 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.769 -4.091 -0.812 1.00 10.83 C ATOM 0 H ILE A 3 6.300 -8.032 -0.774 1.00 5.87 H new ATOM 0 HA ILE A 3 7.198 -7.169 1.873 1.00 5.07 H new ATOM 0 HB ILE A 3 5.607 -5.110 1.389 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.295 -5.543 -1.456 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.864 -6.291 -0.775 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.529 -3.841 0.575 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.001 -4.977 1.860 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.369 -5.354 0.160 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.288 -4.060 -1.790 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.011 -4.016 -0.032 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.464 -3.256 -0.723 1.00 10.83 H new ATOM 56 N PHE A 4 4.546 -7.265 2.589 1.00 4.55 N ATOM 57 CA PHE A 4 3.263 -7.741 3.072 1.00 4.68 C ATOM 58 C PHE A 4 2.336 -6.599 3.427 1.00 5.30 C ATOM 59 O PHE A 4 2.588 -5.880 4.420 1.00 5.58 O ATOM 60 CB PHE A 4 3.467 -8.650 4.243 1.00 4.83 C ATOM 61 CG PHE A 4 4.338 -9.828 3.932 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.778 -10.995 3.442 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.698 -9.807 4.293 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.559 -12.198 3.328 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.514 -11.001 4.069 1.00 10.61 C ATOM 66 CZ PHE A 4 5.881 -12.204 3.650 1.00 8.90 C ATOM 0 H PHE A 4 5.011 -6.633 3.241 1.00 4.55 H new ATOM 0 HA PHE A 4 2.784 -8.299 2.268 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.912 -8.083 5.061 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.497 -9.005 4.592 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.741 -11.003 3.141 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.134 -8.921 4.730 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.090 -13.108 2.983 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.583 -10.969 4.220 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.449 -13.121 3.588 1.00 8.90 H new ATOM 76 N VAL A 5 1.152 -6.542 2.779 1.00 4.44 N ATOM 77 CA VAL A 5 0.135 -5.530 3.038 1.00 3.87 C ATOM 78 C VAL A 5 -1.022 -6.171 3.842 1.00 4.93 C ATOM 79 O VAL A 5 -1.729 -7.005 3.304 1.00 6.84 O ATOM 80 CB VAL A 5 -0.341 -4.937 1.680 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.307 -3.753 2.017 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.796 -4.384 0.835 1.00 9.13 C ATOM 0 H VAL A 5 0.884 -7.210 2.056 1.00 4.44 H new ATOM 0 HA VAL A 5 0.536 -4.711 3.636 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.812 -5.735 1.106 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.668 -3.304 1.092 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.153 -4.127 2.594 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.773 -3.003 2.601 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.396 -3.986 -0.098 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.302 -3.588 1.382 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.506 -5.181 0.614 1.00 9.13 H new ATOM 92 N LYS A 6 -1.203 -5.809 5.160 1.00 6.04 N ATOM 93 CA LYS A 6 -2.187 -6.533 5.941 1.00 6.12 C ATOM 94 C LYS A 6 -3.376 -5.687 6.171 1.00 6.57 C ATOM 95 O LYS A 6 -3.219 -4.527 6.556 1.00 5.76 O ATOM 96 CB LYS A 6 -1.566 -7.122 7.225 1.00 7.45 C ATOM 97 CG LYS A 6 -0.340 -8.033 6.912 1.00 11.12 C ATOM 98 CD LYS A 6 0.545 -8.147 8.118 1.00 14.54 C ATOM 99 CE LYS A 6 0.151 -9.126 9.271 1.00 18.84 C ATOM 100 NZ LYS A 6 0.389 -10.553 8.842 1.00 20.55 N ATOM 0 H LYS A 6 -0.702 -5.067 5.648 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.534 -7.399 5.377 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.257 -6.311 7.884 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.320 -7.699 7.761 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.682 -9.023 6.608 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.224 -7.620 6.076 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.537 -8.435 7.769 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.636 -7.151 8.552 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.736 -8.904 10.163 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.898 -8.987 9.534 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.108 -11.197 9.609 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.175 -10.759 7.993 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.398 -10.688 8.629 1.00 20.55 H new ATOM 114 N THR A 7 -4.613 -6.132 5.923 1.00 7.41 N ATOM 115 CA THR A 7 -5.847 -5.285 6.065 1.00 7.48 C ATOM 116 C THR A 7 -6.245 -4.865 7.499 1.00 8.75 C ATOM 117 O THR A 7 -5.653 -5.408 8.433 1.00 8.58 O ATOM 118 CB THR A 7 -7.082 -5.828 5.440 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.451 -7.065 5.943 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.902 -6.045 3.968 1.00 9.17 C ATOM 0 H THR A 7 -4.808 -7.085 5.617 1.00 7.41 H new ATOM 0 HA THR A 7 -5.492 -4.412 5.517 1.00 7.48 H new ATOM 0 HB THR A 7 -7.843 -5.080 5.661 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.269 -7.369 5.496 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.824 -6.442 3.543 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.660 -5.097 3.487 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.091 -6.754 3.801 1.00 9.17 H new ATOM 128 N LEU A 8 -7.240 -3.995 7.744 1.00 9.84 N ATOM 129 CA LEU A 8 -7.848 -3.825 9.083 1.00 14.15 C ATOM 130 C LEU A 8 -8.305 -5.073 9.765 1.00 17.37 C ATOM 131 O LEU A 8 -8.000 -5.324 10.933 1.00 17.01 O ATOM 132 CB LEU A 8 -8.996 -2.768 9.171 1.00 16.63 C ATOM 133 CG LEU A 8 -9.223 -2.098 10.529 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.877 -1.302 10.850 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.450 -1.226 10.315 1.00 18.59 C ATOM 0 H LEU A 8 -7.646 -3.392 7.028 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.980 -3.447 9.623 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.794 -1.987 8.438 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.926 -3.252 8.873 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.413 -2.752 11.380 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.973 -0.798 11.812 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.041 -2.001 10.888 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.696 -0.563 10.069 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.691 -0.703 11.241 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.247 -0.498 9.529 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.294 -1.851 10.022 1.00 18.59 H new ATOM 147 N THR A 9 -8.861 -6.013 9.011 1.00 18.33 N ATOM 148 CA THR A 9 -9.274 -7.339 9.509 1.00 19.24 C ATOM 149 C THR A 9 -8.153 -8.421 9.268 1.00 19.48 C ATOM 150 O THR A 9 -8.331 -9.661 9.440 1.00 23.14 O ATOM 151 CB THR A 9 -10.624 -7.832 9.052 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.533 -8.055 7.644 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.695 -6.821 9.343 1.00 19.70 C ATOM 0 H THR A 9 -9.045 -5.882 8.016 1.00 18.33 H new ATOM 0 HA THR A 9 -9.403 -7.184 10.580 1.00 19.24 H new ATOM 0 HB THR A 9 -10.890 -8.747 9.582 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.394 -8.379 7.308 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.658 -7.203 9.003 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.737 -6.634 10.416 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.469 -5.891 8.821 1.00 19.70 H new ATOM 161 N GLY A 10 -6.960 -7.924 9.069 1.00 19.43 N ATOM 162 CA GLY A 10 -5.803 -8.770 9.205 1.00 18.74 C ATOM 163 C GLY A 10 -5.438 -9.623 8.071 1.00 17.62 C ATOM 164 O GLY A 10 -4.573 -10.506 8.256 1.00 19.74 O ATOM 0 H GLY A 10 -6.765 -6.955 8.817 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.948 -8.133 9.432 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.960 -9.414 10.070 1.00 18.74 H new ATOM 168 N LYS A 11 -6.090 -9.485 6.846 1.00 13.56 N ATOM 169 CA LYS A 11 -5.817 -10.305 5.684 1.00 11.91 C ATOM 170 C LYS A 11 -4.458 -9.973 5.154 1.00 10.18 C ATOM 171 O LYS A 11 -4.257 -8.844 4.693 1.00 9.10 O ATOM 172 CB LYS A 11 -6.837 -10.121 4.563 1.00 13.43 C ATOM 173 CG LYS A 11 -6.709 -11.169 3.412 1.00 16.69 C ATOM 174 CD LYS A 11 -7.730 -10.900 2.307 1.00 17.92 C ATOM 175 CE LYS A 11 -7.962 -11.998 1.307 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.961 -12.054 0.303 1.00 21.93 N ATOM 0 H LYS A 11 -6.815 -8.786 6.684 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.876 -11.343 6.011 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.840 -10.180 4.985 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.726 -9.121 4.144 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.702 -11.136 2.997 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.857 -12.172 3.811 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.684 -10.664 2.778 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.414 -10.009 1.764 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.000 -12.955 1.828 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.934 -11.853 0.836 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.097 -12.908 -0.275 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.029 -11.211 -0.302 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.022 -12.084 0.750 1.00 21.93 H new ATOM 190 N THR A 12 -3.479 -10.879 5.117 1.00 9.63 N ATOM 191 CA THR A 12 -2.157 -10.660 4.510 1.00 9.85 C ATOM 192 C THR A 12 -2.192 -10.763 3.034 1.00 11.66 C ATOM 193 O THR A 12 -2.306 -11.887 2.496 1.00 12.33 O ATOM 194 CB THR A 12 -1.119 -11.619 5.016 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.026 -11.579 6.442 1.00 10.91 O ATOM 196 CG2 THR A 12 0.346 -11.299 4.536 1.00 9.63 C ATOM 0 H THR A 12 -3.583 -11.811 5.518 1.00 9.63 H new ATOM 0 HA THR A 12 -1.884 -9.646 4.803 1.00 9.85 H new ATOM 0 HB THR A 12 -1.454 -12.579 4.624 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.344 -12.215 6.743 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.033 -12.039 4.946 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.387 -11.330 3.447 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.634 -10.306 4.882 1.00 9.63 H new ATOM 204 N ILE A 13 -1.941 -9.686 2.324 1.00 10.42 N ATOM 205 CA ILE A 13 -1.791 -9.672 0.835 1.00 11.84 C ATOM 206 C ILE A 13 -0.319 -9.556 0.572 1.00 10.55 C ATOM 207 O ILE A 13 0.322 -8.593 0.933 1.00 11.92 O ATOM 208 CB ILE A 13 -2.437 -8.453 0.176 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.896 -8.127 0.733 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.387 -8.524 -1.380 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.480 -6.741 0.396 1.00 16.46 C ATOM 0 H ILE A 13 -1.828 -8.764 2.746 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.266 -10.567 0.433 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.823 -7.601 0.467 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.581 -8.885 0.353 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.876 -8.231 1.818 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.858 -7.635 -1.800 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.349 -8.574 -1.709 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.919 -9.412 -1.721 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.474 -6.649 0.833 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.832 -5.964 0.802 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.548 -6.628 -0.686 1.00 16.46 H new ATOM 223 N THR A 14 0.285 -10.592 -0.058 1.00 9.39 N ATOM 224 CA THR A 14 1.721 -10.647 -0.262 1.00 9.63 C ATOM 225 C THR A 14 2.017 -10.134 -1.665 1.00 11.20 C ATOM 226 O THR A 14 1.484 -10.608 -2.643 1.00 11.63 O ATOM 227 CB THR A 14 2.256 -12.070 -0.321 1.00 10.38 C ATOM 228 OG1 THR A 14 1.895 -12.736 0.877 1.00 16.30 O ATOM 229 CG2 THR A 14 3.783 -12.057 -0.432 1.00 11.66 C ATOM 0 H THR A 14 -0.219 -11.397 -0.429 1.00 9.39 H new ATOM 0 HA THR A 14 2.165 -10.085 0.559 1.00 9.63 H new ATOM 0 HB THR A 14 1.837 -12.578 -1.190 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.353 -12.316 1.635 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.154 -13.081 -0.473 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.077 -11.528 -1.338 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.207 -11.553 0.437 1.00 11.66 H new ATOM 237 N LEU A 15 2.918 -9.102 -1.817 1.00 8.29 N ATOM 238 CA LEU A 15 3.121 -8.350 -3.094 1.00 9.03 C ATOM 239 C LEU A 15 4.581 -8.504 -3.463 1.00 8.59 C ATOM 240 O LEU A 15 5.463 -8.645 -2.624 1.00 7.79 O ATOM 241 CB LEU A 15 2.853 -6.831 -3.029 1.00 11.08 C ATOM 242 CG LEU A 15 1.376 -6.428 -2.844 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.279 -4.922 -2.767 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.358 -6.936 -3.813 1.00 15.27 C ATOM 0 H LEU A 15 3.516 -8.776 -1.058 1.00 8.29 H new ATOM 0 HA LEU A 15 2.406 -8.764 -3.805 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.432 -6.412 -2.206 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.225 -6.374 -3.946 1.00 11.08 H new ATOM 0 HG LEU A 15 1.102 -6.937 -1.920 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.237 -4.631 -2.636 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.865 -4.562 -1.921 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.665 -4.485 -3.688 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.627 -6.558 -3.538 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.610 -6.595 -4.817 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.348 -8.026 -3.792 1.00 15.27 H new ATOM 256 N GLU A 16 4.956 -8.436 -4.750 1.00 11.04 N ATOM 257 CA GLU A 16 6.342 -8.354 -5.163 1.00 11.50 C ATOM 258 C GLU A 16 6.587 -6.944 -5.695 1.00 10.13 C ATOM 259 O GLU A 16 5.939 -6.490 -6.615 1.00 9.83 O ATOM 260 CB GLU A 16 6.615 -9.423 -6.273 1.00 17.22 C ATOM 261 CG GLU A 16 8.091 -9.582 -6.755 1.00 23.33 C ATOM 262 CD GLU A 16 9.028 -10.118 -5.713 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.540 -10.870 -4.779 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.195 -9.742 -5.767 1.00 28.90 O ATOM 0 H GLU A 16 4.295 -8.437 -5.527 1.00 11.04 H new ATOM 0 HA GLU A 16 7.014 -8.553 -4.328 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.273 -10.390 -5.904 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.000 -9.177 -7.139 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.109 -10.247 -7.619 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.457 -8.612 -7.091 1.00 23.33 H new ATOM 271 N VAL A 17 7.516 -6.176 -5.128 1.00 8.99 N ATOM 272 CA VAL A 17 7.776 -4.742 -5.376 1.00 8.85 C ATOM 273 C VAL A 17 9.225 -4.458 -5.724 1.00 8.04 C ATOM 274 O VAL A 17 10.134 -5.285 -5.585 1.00 8.99 O ATOM 275 CB VAL A 17 7.365 -3.712 -4.305 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.902 -3.956 -4.061 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.158 -3.938 -3.008 1.00 10.54 C ATOM 0 H VAL A 17 8.157 -6.558 -4.433 1.00 8.99 H new ATOM 0 HA VAL A 17 7.097 -4.590 -6.215 1.00 8.85 H new ATOM 0 HB VAL A 17 7.564 -2.691 -4.630 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.537 -3.258 -3.308 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.349 -3.810 -4.989 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.757 -4.978 -3.709 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.855 -3.202 -2.263 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.958 -4.941 -2.630 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.224 -3.832 -3.210 1.00 10.54 H new ATOM 287 N GLU A 18 9.470 -3.275 -6.257 1.00 7.29 N ATOM 288 CA GLU A 18 10.772 -2.722 -6.283 1.00 7.08 C ATOM 289 C GLU A 18 10.824 -1.543 -5.355 1.00 6.45 C ATOM 290 O GLU A 18 9.836 -0.844 -5.160 1.00 5.28 O ATOM 291 CB GLU A 18 11.199 -2.211 -7.696 1.00 10.28 C ATOM 292 CG GLU A 18 11.450 -3.348 -8.722 1.00 12.65 C ATOM 293 CD GLU A 18 12.619 -4.170 -8.310 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.738 -3.626 -8.101 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.432 -5.430 -8.312 1.00 14.33 O ATOM 0 H GLU A 18 8.755 -2.684 -6.681 1.00 7.29 H new ATOM 0 HA GLU A 18 11.451 -3.522 -5.986 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.424 -1.550 -8.083 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.107 -1.615 -7.598 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.564 -3.978 -8.800 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.627 -2.923 -9.710 1.00 12.65 H new ATOM 302 N PRO A 19 11.958 -1.186 -4.653 1.00 7.24 N ATOM 303 CA PRO A 19 12.030 0.043 -3.899 1.00 7.07 C ATOM 304 C PRO A 19 11.861 1.324 -4.733 1.00 6.65 C ATOM 305 O PRO A 19 11.419 2.309 -4.207 1.00 6.37 O ATOM 306 CB PRO A 19 13.449 -0.060 -3.264 1.00 7.61 C ATOM 307 CG PRO A 19 13.799 -1.571 -3.344 1.00 8.16 C ATOM 308 CD PRO A 19 13.198 -1.907 -4.687 1.00 7.49 C ATOM 0 HA PRO A 19 11.213 0.135 -3.184 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.173 0.545 -3.809 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.450 0.294 -2.233 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.873 -1.752 -3.311 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.353 -2.146 -2.532 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.835 -1.583 -5.510 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.042 -2.979 -4.807 1.00 7.49 H new ATOM 316 N SER A 20 12.346 1.358 -5.946 1.00 6.80 N ATOM 317 CA SER A 20 12.247 2.497 -6.870 1.00 6.28 C ATOM 318 C SER A 20 10.971 2.284 -7.675 1.00 8.45 C ATOM 319 O SER A 20 10.937 2.385 -8.908 1.00 7.26 O ATOM 320 CB SER A 20 13.493 2.450 -7.829 1.00 8.57 C ATOM 321 OG SER A 20 14.645 2.486 -7.008 1.00 11.13 O ATOM 0 H SER A 20 12.846 0.566 -6.351 1.00 6.80 H new ATOM 0 HA SER A 20 12.225 3.456 -6.353 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.479 1.545 -8.436 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.483 3.295 -8.517 1.00 8.57 H new ATOM 0 HG SER A 20 15.448 2.457 -7.569 1.00 11.13 H new ATOM 327 N ASP A 21 9.823 1.995 -6.998 1.00 7.50 N ATOM 328 CA ASP A 21 8.453 2.015 -7.606 1.00 7.70 C ATOM 329 C ASP A 21 7.690 2.952 -6.652 1.00 7.08 C ATOM 330 O ASP A 21 8.107 3.339 -5.584 1.00 8.11 O ATOM 331 CB ASP A 21 7.907 0.608 -7.656 1.00 11.00 C ATOM 332 CG ASP A 21 6.685 0.500 -8.625 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.236 1.524 -9.191 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.477 -0.632 -9.119 1.00 14.36 O ATOM 0 H ASP A 21 9.818 1.740 -6.010 1.00 7.50 H new ATOM 0 HA ASP A 21 8.394 2.365 -8.637 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.691 -0.076 -7.980 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.607 0.297 -6.655 1.00 11.00 H new ATOM 339 N THR A 22 6.506 3.387 -7.091 1.00 5.37 N ATOM 340 CA THR A 22 5.645 4.449 -6.457 1.00 6.01 C ATOM 341 C THR A 22 4.517 3.902 -5.754 1.00 8.01 C ATOM 342 O THR A 22 4.026 2.797 -6.126 1.00 8.11 O ATOM 343 CB THR A 22 5.238 5.550 -7.466 1.00 8.92 C ATOM 344 OG1 THR A 22 4.752 4.928 -8.601 1.00 10.22 O ATOM 345 CG2 THR A 22 6.263 6.646 -7.815 1.00 9.65 C ATOM 0 H THR A 22 6.081 3.005 -7.936 1.00 5.37 H new ATOM 0 HA THR A 22 6.262 4.934 -5.701 1.00 6.01 H new ATOM 0 HB THR A 22 4.482 6.140 -6.947 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.485 5.606 -9.257 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.825 7.339 -8.533 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.539 7.188 -6.910 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.152 6.188 -8.249 1.00 9.65 H new ATOM 353 N ILE A 23 3.956 4.619 -4.723 1.00 8.32 N ATOM 354 CA ILE A 23 2.841 4.178 -3.987 1.00 9.92 C ATOM 355 C ILE A 23 1.576 3.967 -4.803 1.00 10.01 C ATOM 356 O ILE A 23 0.726 3.080 -4.511 1.00 8.71 O ATOM 357 CB ILE A 23 2.611 5.023 -2.756 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.889 5.075 -1.802 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.340 4.662 -1.848 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.487 3.801 -1.319 1.00 12.30 C ATOM 0 H ILE A 23 4.312 5.525 -4.419 1.00 8.32 H new ATOM 0 HA ILE A 23 3.103 3.175 -3.652 1.00 9.92 H new ATOM 0 HB ILE A 23 2.404 5.994 -3.207 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.669 5.625 -2.329 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.620 5.664 -0.925 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.293 5.345 -0.999 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.430 4.758 -2.441 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.431 3.638 -1.485 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.345 4.020 -0.684 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.745 3.244 -0.747 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.810 3.204 -2.172 1.00 12.30 H new ATOM 372 N GLU A 24 1.444 4.798 -5.855 1.00 9.54 N ATOM 373 CA GLU A 24 0.417 4.746 -6.840 1.00 11.81 C ATOM 374 C GLU A 24 0.272 3.432 -7.527 1.00 11.14 C ATOM 375 O GLU A 24 -0.784 2.991 -7.990 1.00 10.62 O ATOM 376 CB GLU A 24 0.703 5.848 -7.897 1.00 19.24 C ATOM 377 CG GLU A 24 -0.332 5.955 -8.999 1.00 27.76 C ATOM 378 CD GLU A 24 -0.190 7.193 -9.834 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.949 7.384 -10.360 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.131 7.978 -10.009 1.00 34.80 O ATOM 0 H GLU A 24 2.104 5.557 -6.024 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.525 4.905 -6.315 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.773 6.810 -7.389 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.676 5.655 -8.349 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.256 5.080 -9.645 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.327 5.938 -8.555 1.00 27.76 H new ATOM 387 N ASN A 25 1.403 2.707 -7.720 1.00 9.43 N ATOM 388 CA ASN A 25 1.392 1.421 -8.380 1.00 10.96 C ATOM 389 C ASN A 25 1.283 0.244 -7.381 1.00 9.68 C ATOM 390 O ASN A 25 0.846 -0.856 -7.735 1.00 9.33 O ATOM 391 CB ASN A 25 2.726 1.197 -9.150 1.00 16.78 C ATOM 392 CG ASN A 25 2.899 2.138 -10.351 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.967 2.760 -10.837 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.174 2.196 -10.845 1.00 24.70 N ATOM 0 H ASN A 25 2.328 3.012 -7.418 1.00 9.43 H new ATOM 0 HA ASN A 25 0.526 1.437 -9.042 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.561 1.337 -8.464 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.768 0.165 -9.497 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.381 2.779 -11.656 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.918 1.656 -10.402 1.00 24.70 H new ATOM 401 N VAL A 26 1.516 0.448 -6.079 1.00 6.52 N ATOM 402 CA VAL A 26 1.183 -0.541 -5.032 1.00 5.53 C ATOM 403 C VAL A 26 -0.353 -0.760 -5.006 1.00 4.42 C ATOM 404 O VAL A 26 -0.850 -1.908 -5.001 1.00 3.40 O ATOM 405 CB VAL A 26 1.770 -0.131 -3.724 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.307 -1.254 -2.709 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.282 -0.156 -3.964 1.00 8.12 C ATOM 0 H VAL A 26 1.940 1.301 -5.716 1.00 6.52 H new ATOM 0 HA VAL A 26 1.630 -1.509 -5.256 1.00 5.53 H new ATOM 0 HB VAL A 26 1.476 0.846 -3.341 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.697 -1.030 -1.716 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.218 -1.285 -2.673 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.687 -2.221 -3.038 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.800 0.134 -3.050 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.588 -1.162 -4.251 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.535 0.542 -4.762 1.00 8.12 H new ATOM 417 N LYS A 27 -1.176 0.253 -5.071 1.00 2.64 N ATOM 418 CA LYS A 27 -2.607 0.239 -5.038 1.00 4.14 C ATOM 419 C LYS A 27 -3.228 -0.467 -6.249 1.00 5.58 C ATOM 420 O LYS A 27 -4.187 -1.228 -6.126 1.00 4.11 O ATOM 421 CB LYS A 27 -3.258 1.647 -4.887 1.00 3.97 C ATOM 422 CG LYS A 27 -2.759 2.355 -3.622 1.00 7.45 C ATOM 423 CD LYS A 27 -3.265 3.780 -3.574 1.00 9.02 C ATOM 424 CE LYS A 27 -2.997 4.614 -2.281 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.364 5.977 -2.510 1.00 15.47 N ATOM 0 H LYS A 27 -0.819 1.204 -5.157 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.830 -0.331 -4.136 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.026 2.254 -5.762 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.343 1.547 -4.847 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.097 1.814 -2.738 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.669 2.350 -3.602 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.826 4.318 -4.414 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.342 3.757 -3.738 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.569 4.207 -1.447 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.944 4.551 -2.006 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.756 6.600 -1.942 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.246 6.204 -3.518 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.357 6.120 -2.237 1.00 15.47 H new ATOM 439 N ALA A 28 -2.544 -0.427 -7.416 1.00 6.61 N ATOM 440 CA ALA A 28 -2.935 -1.141 -8.603 1.00 7.74 C ATOM 441 C ALA A 28 -2.575 -2.580 -8.531 1.00 9.17 C ATOM 442 O ALA A 28 -3.346 -3.465 -8.996 1.00 11.45 O ATOM 443 CB ALA A 28 -2.370 -0.481 -9.889 1.00 7.68 C ATOM 0 H ALA A 28 -1.692 0.120 -7.537 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.022 -1.082 -8.658 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.689 -1.052 -10.761 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.742 0.540 -9.968 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.281 -0.468 -9.843 1.00 7.68 H new ATOM 449 N LYS A 29 -1.393 -2.898 -7.917 1.00 8.96 N ATOM 450 CA LYS A 29 -1.091 -4.306 -7.526 1.00 7.90 C ATOM 451 C LYS A 29 -2.138 -4.865 -6.558 1.00 6.92 C ATOM 452 O LYS A 29 -2.585 -6.046 -6.653 1.00 6.87 O ATOM 453 CB LYS A 29 0.430 -4.423 -7.001 1.00 10.28 C ATOM 454 CG LYS A 29 1.485 -4.200 -8.107 1.00 14.94 C ATOM 455 CD LYS A 29 2.894 -4.156 -7.497 1.00 19.69 C ATOM 456 CE LYS A 29 4.012 -3.879 -8.562 1.00 22.63 C ATOM 457 NZ LYS A 29 4.027 -4.938 -9.527 1.00 24.98 N ATOM 0 H LYS A 29 -0.661 -2.224 -7.691 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.163 -4.946 -8.405 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.589 -3.693 -6.207 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.579 -5.409 -6.562 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.425 -5.001 -8.844 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.279 -3.268 -8.633 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.929 -3.381 -6.731 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.099 -5.104 -7.000 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.829 -2.925 -9.056 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.984 -3.804 -8.074 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.860 -4.836 -10.141 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.068 -5.854 -9.036 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.164 -4.893 -10.105 1.00 24.98 H new ATOM 471 N ILE A 30 -2.569 -4.144 -5.531 1.00 4.57 N ATOM 472 CA ILE A 30 -3.559 -4.552 -4.537 1.00 5.58 C ATOM 473 C ILE A 30 -4.882 -4.659 -5.186 1.00 7.26 C ATOM 474 O ILE A 30 -5.591 -5.654 -4.962 1.00 9.46 O ATOM 475 CB ILE A 30 -3.656 -3.557 -3.374 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.401 -3.550 -2.497 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.805 -3.969 -2.493 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.366 -2.428 -1.490 1.00 2.00 C ATOM 0 H ILE A 30 -2.217 -3.202 -5.357 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.243 -5.513 -4.131 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.785 -2.565 -3.806 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.333 -4.501 -1.969 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.522 -3.478 -3.138 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.891 -3.273 -1.658 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.729 -3.958 -3.071 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.628 -4.974 -2.110 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.447 -2.491 -0.907 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.401 -1.471 -2.010 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.225 -2.510 -0.824 1.00 2.00 H new ATOM 490 N GLN A 31 -5.304 -3.757 -6.082 1.00 7.06 N ATOM 491 CA GLN A 31 -6.509 -3.960 -6.839 1.00 8.67 C ATOM 492 C GLN A 31 -6.582 -5.320 -7.652 1.00 10.90 C ATOM 493 O GLN A 31 -7.614 -6.022 -7.654 1.00 9.63 O ATOM 494 CB GLN A 31 -6.538 -2.827 -7.927 1.00 9.12 C ATOM 495 CG GLN A 31 -7.832 -2.876 -8.824 1.00 10.76 C ATOM 496 CD GLN A 31 -7.972 -1.650 -9.798 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.079 -1.145 -9.988 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.842 -1.296 -10.473 1.00 14.76 N ATOM 0 H GLN A 31 -4.817 -2.885 -6.288 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.329 -3.965 -6.120 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.479 -1.856 -7.436 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.657 -2.917 -8.563 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.823 -3.795 -9.410 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.709 -2.918 -8.179 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.957 -1.758 -10.263 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.881 -0.569 -11.188 1.00 14.76 H new ATOM 507 N ASP A 32 -5.429 -5.736 -8.233 1.00 10.93 N ATOM 508 CA ASP A 32 -5.258 -7.001 -8.934 1.00 14.01 C ATOM 509 C ASP A 32 -5.506 -8.258 -8.111 1.00 14.04 C ATOM 510 O ASP A 32 -6.102 -9.289 -8.401 1.00 13.39 O ATOM 511 CB ASP A 32 -3.844 -6.940 -9.535 1.00 18.01 C ATOM 512 CG ASP A 32 -3.641 -8.040 -10.590 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.422 -7.954 -11.558 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.757 -8.906 -10.490 1.00 25.17 O ATOM 0 H ASP A 32 -4.578 -5.174 -8.218 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.031 -7.101 -9.696 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.681 -5.963 -9.989 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.104 -7.051 -8.743 1.00 18.01 H new ATOM 519 N LYS A 33 -5.057 -8.177 -6.839 1.00 14.22 N ATOM 520 CA LYS A 33 -5.288 -9.250 -5.858 1.00 14.00 C ATOM 521 C LYS A 33 -6.695 -9.157 -5.309 1.00 12.37 C ATOM 522 O LYS A 33 -7.433 -10.133 -5.192 1.00 12.17 O ATOM 523 CB LYS A 33 -4.354 -8.943 -4.628 1.00 18.62 C ATOM 524 CG LYS A 33 -2.811 -9.203 -4.942 1.00 24.00 C ATOM 525 CD LYS A 33 -2.358 -10.618 -4.494 1.00 27.61 C ATOM 526 CE LYS A 33 -0.852 -10.891 -4.659 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.487 -11.249 -6.048 1.00 30.06 N ATOM 0 H LYS A 33 -4.535 -7.381 -6.473 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.111 -10.218 -6.327 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.488 -7.904 -4.326 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.658 -9.562 -3.784 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.634 -9.087 -6.011 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.206 -8.451 -4.435 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.626 -10.756 -3.447 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.913 -11.361 -5.066 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.291 -10.007 -4.356 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.558 -11.700 -3.990 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.537 -11.422 -6.104 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.000 -12.108 -6.331 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.741 -10.468 -6.686 1.00 30.06 H new ATOM 541 N GLU A 34 -7.034 -7.995 -4.841 1.00 10.11 N ATOM 542 CA GLU A 34 -8.225 -7.905 -4.000 1.00 10.07 C ATOM 543 C GLU A 34 -9.495 -7.287 -4.613 1.00 9.32 C ATOM 544 O GLU A 34 -10.563 -7.358 -4.002 1.00 11.61 O ATOM 545 CB GLU A 34 -7.945 -7.103 -2.714 1.00 14.77 C ATOM 546 CG GLU A 34 -7.241 -7.940 -1.576 1.00 18.75 C ATOM 547 CD GLU A 34 -7.962 -9.240 -1.349 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.129 -9.124 -0.867 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.359 -10.336 -1.556 1.00 21.95 O ATOM 0 H GLU A 34 -6.538 -7.120 -5.008 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.436 -8.961 -3.829 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.318 -6.246 -2.962 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.887 -6.709 -2.332 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.205 -8.136 -1.850 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.222 -7.363 -0.652 1.00 18.75 H new ATOM 556 N GLY A 35 -9.454 -6.801 -5.860 1.00 7.22 N ATOM 557 CA GLY A 35 -10.700 -6.325 -6.418 1.00 6.29 C ATOM 558 C GLY A 35 -11.153 -5.042 -5.752 1.00 6.93 C ATOM 559 O GLY A 35 -12.353 -4.847 -5.573 1.00 7.41 O ATOM 0 H GLY A 35 -8.629 -6.733 -6.457 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.580 -6.158 -7.488 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.468 -7.089 -6.299 1.00 6.29 H new ATOM 563 N ILE A 36 -10.234 -4.158 -5.420 1.00 5.86 N ATOM 564 CA ILE A 36 -10.585 -2.819 -4.838 1.00 6.07 C ATOM 565 C ILE A 36 -9.947 -1.677 -5.730 1.00 6.36 C ATOM 566 O ILE A 36 -8.729 -1.587 -5.847 1.00 6.18 O ATOM 567 CB ILE A 36 -9.963 -2.625 -3.421 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.970 -3.894 -2.511 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.631 -1.422 -2.755 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.960 -3.804 -1.342 1.00 9.49 C ATOM 0 H ILE A 36 -9.232 -4.315 -5.532 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.673 -2.771 -4.793 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.899 -2.435 -3.560 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.972 -4.040 -2.108 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.739 -4.770 -3.117 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.206 -1.273 -1.762 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.461 -0.531 -3.359 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.702 -1.603 -2.668 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.012 -4.715 -0.746 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.952 -3.688 -1.740 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.204 -2.946 -0.716 1.00 9.49 H new ATOM 582 N PRO A 37 -10.705 -0.780 -6.375 1.00 8.65 N ATOM 583 CA PRO A 37 -10.170 0.397 -6.974 1.00 9.18 C ATOM 584 C PRO A 37 -9.205 1.217 -6.054 1.00 9.85 C ATOM 585 O PRO A 37 -9.522 1.337 -4.883 1.00 8.51 O ATOM 586 CB PRO A 37 -11.428 1.216 -7.331 1.00 11.42 C ATOM 587 CG PRO A 37 -12.494 0.149 -7.571 1.00 9.27 C ATOM 588 CD PRO A 37 -12.192 -0.881 -6.465 1.00 8.33 C ATOM 0 HA PRO A 37 -9.539 0.146 -7.827 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.710 1.890 -6.522 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.269 1.830 -8.217 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.502 0.555 -7.483 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.413 -0.289 -8.566 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.680 -0.629 -5.523 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.521 -1.884 -6.736 1.00 8.33 H new ATOM 596 N PRO A 38 -8.039 1.707 -6.469 1.00 8.71 N ATOM 597 CA PRO A 38 -7.205 2.616 -5.666 1.00 9.08 C ATOM 598 C PRO A 38 -7.893 3.697 -4.854 1.00 9.28 C ATOM 599 O PRO A 38 -7.379 3.886 -3.778 1.00 6.50 O ATOM 600 CB PRO A 38 -6.178 3.200 -6.689 1.00 10.31 C ATOM 601 CG PRO A 38 -6.097 2.098 -7.813 1.00 10.81 C ATOM 602 CD PRO A 38 -7.509 1.419 -7.766 1.00 12.00 C ATOM 0 HA PRO A 38 -6.761 2.042 -4.852 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.513 4.156 -7.090 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.206 3.371 -6.226 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.895 2.536 -8.790 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.300 1.381 -7.615 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.158 1.812 -8.549 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.431 0.344 -7.926 1.00 12.00 H new ATOM 610 N ASP A 39 -8.986 4.386 -5.313 1.00 11.20 N ATOM 611 CA ASP A 39 -9.797 5.268 -4.441 1.00 14.96 C ATOM 612 C ASP A 39 -10.450 4.595 -3.234 1.00 13.99 C ATOM 613 O ASP A 39 -10.693 5.176 -2.218 1.00 13.75 O ATOM 614 CB ASP A 39 -10.872 6.093 -5.314 1.00 24.16 C ATOM 615 CG ASP A 39 -10.132 7.143 -6.095 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.327 6.772 -6.997 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.430 8.342 -5.860 1.00 34.22 O ATOM 0 H ASP A 39 -9.315 4.341 -6.277 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.079 5.956 -3.994 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.408 5.425 -5.988 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.616 6.555 -4.665 1.00 24.16 H new ATOM 622 N GLN A 40 -10.666 3.315 -3.196 1.00 11.60 N ATOM 623 CA GLN A 40 -11.274 2.670 -2.008 1.00 10.76 C ATOM 624 C GLN A 40 -10.234 2.112 -1.050 1.00 8.01 C ATOM 625 O GLN A 40 -10.484 1.387 -0.062 1.00 8.96 O ATOM 626 CB GLN A 40 -12.245 1.636 -2.437 1.00 11.14 C ATOM 627 CG GLN A 40 -13.621 2.262 -2.778 1.00 14.85 C ATOM 628 CD GLN A 40 -14.483 1.331 -3.602 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.999 0.351 -3.031 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.571 1.537 -4.965 1.00 18.16 N ATOM 0 H GLN A 40 -10.441 2.674 -3.957 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.809 3.437 -1.447 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.857 1.109 -3.309 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.366 0.897 -1.645 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -14.142 2.515 -1.855 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.470 3.193 -3.324 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.131 2.355 -5.387 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.076 0.871 -5.550 1.00 18.16 H new ATOM 639 N GLN A 41 -8.973 2.459 -1.305 1.00 6.52 N ATOM 640 CA GLN A 41 -7.794 2.103 -0.508 1.00 3.87 C ATOM 641 C GLN A 41 -7.134 3.371 0.099 1.00 4.79 C ATOM 642 O GLN A 41 -7.272 4.534 -0.345 1.00 6.34 O ATOM 643 CB GLN A 41 -6.754 1.418 -1.401 1.00 4.20 C ATOM 644 CG GLN A 41 -7.309 0.223 -2.173 1.00 3.20 C ATOM 645 CD GLN A 41 -6.163 -0.315 -3.037 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.986 -0.103 -2.727 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.507 -0.765 -4.246 1.00 7.13 N ATOM 0 H GLN A 41 -8.731 3.027 -2.117 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.120 1.437 0.291 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.358 2.146 -2.109 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.919 1.086 -0.784 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.671 -0.545 -1.489 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.154 0.522 -2.793 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.489 -0.929 -4.469 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.788 -0.944 -4.947 1.00 7.13 H new ATOM 656 N ARG A 42 -6.489 3.105 1.282 1.00 5.73 N ATOM 657 CA ARG A 42 -5.725 4.136 1.989 1.00 6.97 C ATOM 658 C ARG A 42 -4.538 3.433 2.672 1.00 7.15 C ATOM 659 O ARG A 42 -4.804 2.346 3.201 1.00 7.33 O ATOM 660 CB ARG A 42 -6.656 4.958 2.951 1.00 13.23 C ATOM 661 CG ARG A 42 -5.861 5.922 3.842 1.00 21.27 C ATOM 662 CD ARG A 42 -6.871 6.696 4.793 1.00 26.14 C ATOM 663 NE ARG A 42 -7.535 7.784 4.059 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.826 8.064 4.255 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.648 7.256 4.894 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.379 9.094 3.616 1.00 36.39 N ATOM 0 H ARG A 42 -6.495 2.195 1.742 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.320 4.888 1.312 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.378 5.523 2.361 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.225 4.271 3.578 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.131 5.371 4.436 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.304 6.630 3.228 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.617 6.003 5.182 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.334 7.102 5.651 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.000 8.335 3.388 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.306 6.370 5.265 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.626 7.517 5.017 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.817 9.662 2.982 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.364 9.314 3.760 1.00 36.39 H new ATOM 680 N LEU A 43 -3.261 3.897 2.667 1.00 4.65 N ATOM 681 CA LEU A 43 -2.130 3.033 3.108 1.00 3.51 C ATOM 682 C LEU A 43 -1.263 3.739 4.151 1.00 5.56 C ATOM 683 O LEU A 43 -0.978 4.921 4.027 1.00 4.19 O ATOM 684 CB LEU A 43 -1.100 2.868 1.978 1.00 3.74 C ATOM 685 CG LEU A 43 -1.695 1.967 0.837 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.804 2.051 -0.380 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.997 0.504 1.276 1.00 6.41 C ATOM 0 H LEU A 43 -2.991 4.836 2.372 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.601 2.112 3.452 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.828 3.844 1.577 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.187 2.418 2.369 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.678 2.361 0.580 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.213 1.427 -1.174 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.751 3.085 -0.721 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.196 1.702 -0.123 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.405 -0.052 0.432 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.076 0.028 1.614 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.722 0.511 2.090 1.00 6.41 H new ATOM 699 N ILE A 44 -0.962 2.927 5.183 1.00 4.58 N ATOM 700 CA ILE A 44 -0.373 3.267 6.445 1.00 5.55 C ATOM 701 C ILE A 44 0.949 2.497 6.562 1.00 5.46 C ATOM 702 O ILE A 44 0.999 1.333 6.282 1.00 6.04 O ATOM 703 CB ILE A 44 -1.253 3.099 7.745 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.634 3.823 7.560 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.569 3.731 8.977 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.543 5.360 7.380 1.00 13.90 C ATOM 0 H ILE A 44 -1.153 1.927 5.124 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.237 4.348 6.420 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.385 2.029 7.902 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.137 3.399 6.691 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.259 3.609 8.427 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.203 3.597 9.854 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.393 3.247 9.147 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.414 4.795 8.801 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.545 5.772 7.259 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.072 5.802 8.258 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.948 5.588 6.496 1.00 13.90 H new ATOM 718 N PHE A 45 2.060 3.160 6.935 1.00 6.75 N ATOM 719 CA PHE A 45 3.280 2.505 7.156 1.00 4.70 C ATOM 720 C PHE A 45 3.767 2.906 8.572 1.00 6.34 C ATOM 721 O PHE A 45 3.969 4.082 8.863 1.00 5.45 O ATOM 722 CB PHE A 45 4.323 2.989 6.074 1.00 5.51 C ATOM 723 CG PHE A 45 5.591 2.144 6.223 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.626 0.734 6.049 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.777 2.831 6.510 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.864 0.077 6.072 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.009 2.193 6.497 1.00 6.64 C ATOM 728 CZ PHE A 45 8.045 0.808 6.259 1.00 6.84 C ATOM 0 H PHE A 45 2.095 4.169 7.081 1.00 6.75 H new ATOM 0 HA PHE A 45 3.170 1.423 7.082 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.909 2.881 5.071 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.552 4.046 6.212 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.713 0.177 5.901 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.732 3.884 6.747 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.908 -0.995 5.945 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.920 2.748 6.666 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.997 0.300 6.220 1.00 6.84 H new ATOM 738 N ALA A 46 3.751 1.970 9.542 1.00 6.53 N ATOM 739 CA ALA A 46 4.129 2.035 10.888 1.00 7.15 C ATOM 740 C ALA A 46 3.440 3.231 11.631 1.00 9.00 C ATOM 741 O ALA A 46 4.123 4.010 12.321 1.00 11.15 O ATOM 742 CB ALA A 46 5.633 2.052 11.157 1.00 8.99 C ATOM 0 H ALA A 46 3.417 1.032 9.320 1.00 6.53 H new ATOM 0 HA ALA A 46 3.772 1.088 11.293 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.810 2.104 12.231 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.084 1.144 10.758 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.079 2.921 10.674 1.00 8.99 H new ATOM 748 N GLY A 47 2.134 3.364 11.438 1.00 9.35 N ATOM 749 CA GLY A 47 1.287 4.401 11.918 1.00 11.68 C ATOM 750 C GLY A 47 1.207 5.771 11.274 1.00 11.14 C ATOM 751 O GLY A 47 0.479 6.612 11.663 1.00 13.93 O ATOM 0 H GLY A 47 1.614 2.678 10.891 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.274 3.999 11.914 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.561 4.565 12.960 1.00 11.68 H new ATOM 755 N LYS A 48 1.961 6.020 10.151 1.00 10.47 N ATOM 756 CA LYS A 48 1.865 7.270 9.338 1.00 8.82 C ATOM 757 C LYS A 48 1.339 6.978 7.935 1.00 7.68 C ATOM 758 O LYS A 48 1.559 5.856 7.477 1.00 6.47 O ATOM 759 CB LYS A 48 3.199 8.047 9.317 1.00 9.74 C ATOM 760 CG LYS A 48 4.267 7.528 8.310 1.00 14.14 C ATOM 761 CD LYS A 48 5.432 8.522 8.298 1.00 16.32 C ATOM 762 CE LYS A 48 6.414 8.269 7.127 1.00 20.04 C ATOM 763 NZ LYS A 48 7.494 9.253 7.251 1.00 23.92 N ATOM 0 H LYS A 48 2.648 5.358 9.791 1.00 10.47 H new ATOM 0 HA LYS A 48 1.138 7.923 9.822 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.987 9.091 9.087 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.628 8.022 10.319 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.615 6.537 8.601 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.836 7.434 7.313 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.039 9.536 8.226 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.972 8.455 9.242 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.810 7.254 7.169 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.906 8.373 6.168 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.178 9.117 6.480 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.097 10.213 7.196 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.974 9.129 8.165 1.00 23.92 H new ATOM 777 N GLN A 49 0.641 7.935 7.319 1.00 8.89 N ATOM 778 CA GLN A 49 0.007 7.709 6.006 1.00 7.18 C ATOM 779 C GLN A 49 0.942 7.961 4.830 1.00 8.23 C ATOM 780 O GLN A 49 1.886 8.784 4.830 1.00 9.70 O ATOM 781 CB GLN A 49 -1.185 8.686 5.994 1.00 11.67 C ATOM 782 CG GLN A 49 -2.163 8.485 4.825 1.00 15.82 C ATOM 783 CD GLN A 49 -3.337 9.425 4.718 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.554 9.931 3.597 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.204 9.510 5.755 1.00 20.67 N ATOM 0 H GLN A 49 0.498 8.870 7.700 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.289 6.667 5.885 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.732 8.583 6.931 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.802 9.706 5.959 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.594 8.553 3.898 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.553 7.469 4.886 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.974 9.077 6.649 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.087 10.007 5.642 1.00 20.67 H new ATOM 794 N LEU A 50 0.768 7.186 3.728 1.00 6.51 N ATOM 795 CA LEU A 50 1.520 7.330 2.487 1.00 7.41 C ATOM 796 C LEU A 50 0.975 8.305 1.473 1.00 8.27 C ATOM 797 O LEU A 50 -0.018 8.984 1.695 1.00 8.34 O ATOM 798 CB LEU A 50 1.794 5.901 1.932 1.00 7.13 C ATOM 799 CG LEU A 50 2.456 4.924 2.879 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.608 3.602 2.025 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.849 5.469 3.244 1.00 9.11 C ATOM 0 H LEU A 50 0.082 6.432 3.693 1.00 6.51 H new ATOM 0 HA LEU A 50 2.461 7.827 2.725 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.845 5.473 1.609 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.421 5.994 1.045 1.00 7.13 H new ATOM 0 HG LEU A 50 1.897 4.762 3.801 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.082 2.830 2.631 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.624 3.260 1.706 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.224 3.804 1.149 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.343 4.778 3.927 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.447 5.574 2.339 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.745 6.442 3.725 1.00 9.11 H new ATOM 813 N GLU A 51 1.624 8.473 0.352 1.00 9.43 N ATOM 814 CA GLU A 51 1.256 9.366 -0.709 1.00 11.90 C ATOM 815 C GLU A 51 1.664 8.774 -2.053 1.00 11.49 C ATOM 816 O GLU A 51 2.694 8.149 -2.094 1.00 9.88 O ATOM 817 CB GLU A 51 1.910 10.786 -0.537 1.00 16.56 C ATOM 818 CG GLU A 51 2.117 11.664 -1.785 1.00 26.06 C ATOM 819 CD GLU A 51 2.522 13.040 -1.417 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.761 13.761 -0.731 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.651 13.481 -1.878 1.00 32.13 O ATOM 0 H GLU A 51 2.478 7.956 0.144 1.00 9.43 H new ATOM 0 HA GLU A 51 0.174 9.490 -0.671 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.295 11.350 0.165 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.883 10.646 -0.067 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.879 11.217 -2.423 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.195 11.697 -2.365 1.00 26.06 H new ATOM 828 N ASP A 52 0.782 8.931 -3.111 1.00 12.71 N ATOM 829 CA ASP A 52 0.859 8.132 -4.315 1.00 16.56 C ATOM 830 C ASP A 52 2.052 8.441 -5.130 1.00 15.83 C ATOM 831 O ASP A 52 2.591 7.539 -5.806 1.00 17.21 O ATOM 832 CB ASP A 52 -0.433 8.429 -5.150 1.00 21.05 C ATOM 833 CG ASP A 52 -1.726 7.952 -4.491 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.056 6.752 -4.659 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.339 8.781 -3.753 1.00 28.37 O ATOM 0 H ASP A 52 0.024 9.614 -3.115 1.00 12.71 H new ATOM 0 HA ASP A 52 0.937 7.081 -4.036 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.501 9.503 -5.324 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.339 7.954 -6.126 1.00 21.05 H new ATOM 840 N GLY A 53 2.605 9.714 -5.056 1.00 15.00 N ATOM 841 CA GLY A 53 3.584 10.168 -6.053 1.00 11.77 C ATOM 842 C GLY A 53 5.006 9.988 -5.516 1.00 11.10 C ATOM 843 O GLY A 53 5.951 10.313 -6.189 1.00 11.25 O ATOM 0 H GLY A 53 2.381 10.398 -4.334 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.462 9.603 -6.977 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.409 11.216 -6.295 1.00 11.77 H new ATOM 847 N ARG A 54 5.103 9.444 -4.302 1.00 8.53 N ATOM 848 CA ARG A 54 6.357 9.172 -3.641 1.00 9.05 C ATOM 849 C ARG A 54 6.678 7.758 -3.972 1.00 8.96 C ATOM 850 O ARG A 54 5.849 6.840 -4.162 1.00 11.60 O ATOM 851 CB ARG A 54 6.176 9.307 -2.132 1.00 7.97 C ATOM 852 CG ARG A 54 5.862 10.717 -1.586 1.00 9.62 C ATOM 853 CD ARG A 54 6.960 11.835 -1.799 1.00 12.20 C ATOM 854 NE ARG A 54 6.397 13.180 -1.343 1.00 18.23 N ATOM 855 CZ ARG A 54 7.173 14.162 -1.002 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.464 14.117 -0.709 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.669 15.398 -0.889 1.00 23.38 N ATOM 0 H ARG A 54 4.288 9.179 -3.749 1.00 8.53 H new ATOM 0 HA ARG A 54 7.143 9.859 -3.955 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.371 8.639 -1.826 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.086 8.952 -1.649 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.936 11.060 -2.048 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.671 10.630 -0.516 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.859 11.592 -1.233 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.248 11.884 -2.849 1.00 12.20 H new ATOM 0 HE ARG A 54 5.386 13.309 -1.306 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.963 13.228 -0.738 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.959 14.972 -0.454 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.679 15.564 -1.071 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.275 16.173 -0.621 1.00 23.38 H new ATOM 871 N THR A 55 8.005 7.473 -3.977 1.00 9.05 N ATOM 872 CA THR A 55 8.492 6.154 -4.118 1.00 9.03 C ATOM 873 C THR A 55 8.443 5.382 -2.838 1.00 8.15 C ATOM 874 O THR A 55 8.358 5.958 -1.763 1.00 5.91 O ATOM 875 CB THR A 55 9.851 6.015 -4.755 1.00 11.15 C ATOM 876 OG1 THR A 55 10.846 6.613 -3.984 1.00 11.95 O ATOM 877 CG2 THR A 55 9.739 6.710 -6.142 1.00 11.71 C ATOM 0 H THR A 55 8.735 8.179 -3.881 1.00 9.05 H new ATOM 0 HA THR A 55 7.791 5.719 -4.831 1.00 9.03 H new ATOM 0 HB THR A 55 10.132 4.966 -4.846 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.563 7.516 -3.728 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.696 6.645 -6.660 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.971 6.215 -6.736 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.472 7.758 -6.004 1.00 11.71 H new ATOM 885 N LEU A 56 8.501 4.035 -2.859 1.00 6.91 N ATOM 886 CA LEU A 56 8.645 3.186 -1.687 1.00 8.29 C ATOM 887 C LEU A 56 9.994 3.382 -0.981 1.00 8.05 C ATOM 888 O LEU A 56 10.098 3.420 0.245 1.00 10.17 O ATOM 889 CB LEU A 56 8.425 1.645 -2.009 1.00 6.60 C ATOM 890 CG LEU A 56 7.034 1.179 -2.239 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.451 1.722 -3.556 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.051 -0.346 -2.182 1.00 8.64 C ATOM 0 H LEU A 56 8.446 3.503 -3.727 1.00 6.91 H new ATOM 0 HA LEU A 56 7.853 3.505 -1.009 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.011 1.401 -2.895 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.840 1.067 -1.183 1.00 6.60 H new ATOM 0 HG LEU A 56 6.371 1.567 -1.466 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.432 1.355 -3.682 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.443 2.812 -3.529 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.064 1.385 -4.392 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.043 -0.728 -2.347 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.716 -0.732 -2.955 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.406 -0.670 -1.203 1.00 8.64 H new ATOM 904 N SER A 57 11.064 3.641 -1.722 1.00 8.92 N ATOM 905 CA SER A 57 12.385 4.108 -1.356 1.00 9.00 C ATOM 906 C SER A 57 12.261 5.346 -0.367 1.00 9.44 C ATOM 907 O SER A 57 12.965 5.396 0.635 1.00 10.91 O ATOM 908 CB SER A 57 13.234 4.607 -2.498 1.00 10.32 C ATOM 909 OG SER A 57 14.590 4.573 -2.149 1.00 13.59 O ATOM 0 H SER A 57 11.011 3.508 -2.732 1.00 8.92 H new ATOM 0 HA SER A 57 12.862 3.229 -0.923 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.064 3.992 -3.382 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.944 5.625 -2.757 1.00 10.32 H new ATOM 0 HG SER A 57 15.129 4.898 -2.900 1.00 13.59 H new ATOM 915 N ASP A 58 11.340 6.261 -0.567 1.00 9.11 N ATOM 916 CA ASP A 58 11.200 7.418 0.337 1.00 7.91 C ATOM 917 C ASP A 58 10.578 7.045 1.743 1.00 9.12 C ATOM 918 O ASP A 58 10.697 7.873 2.662 1.00 8.61 O ATOM 919 CB ASP A 58 10.175 8.377 -0.360 1.00 8.41 C ATOM 920 CG ASP A 58 10.689 8.999 -1.641 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.640 9.783 -1.560 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.111 8.759 -2.716 1.00 11.70 O ATOM 0 H ASP A 58 10.673 6.242 -1.338 1.00 9.11 H new ATOM 0 HA ASP A 58 12.189 7.842 0.512 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.263 7.821 -0.578 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.905 9.172 0.335 1.00 8.41 H new ATOM 927 N TYR A 59 10.026 5.823 2.018 1.00 7.97 N ATOM 928 CA TYR A 59 9.515 5.431 3.268 1.00 8.45 C ATOM 929 C TYR A 59 10.425 4.392 3.806 1.00 10.98 C ATOM 930 O TYR A 59 10.183 3.907 4.873 1.00 12.95 O ATOM 931 CB TYR A 59 8.119 4.844 3.050 1.00 7.94 C ATOM 932 CG TYR A 59 7.246 5.979 2.551 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.734 6.985 3.448 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.900 5.978 1.173 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.970 8.008 2.928 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.073 7.029 0.711 1.00 6.52 C ATOM 937 CZ TYR A 59 5.579 8.032 1.546 1.00 6.76 C ATOM 938 OH TYR A 59 4.754 9.069 1.109 1.00 7.63 O ATOM 0 H TYR A 59 9.946 5.092 1.312 1.00 7.97 H new ATOM 0 HA TYR A 59 9.448 6.268 3.963 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.149 4.031 2.325 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.724 4.430 3.977 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.945 6.938 4.506 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.254 5.206 0.505 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.657 8.813 3.577 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.812 7.056 -0.337 1.00 6.52 H new ATOM 0 HH TYR A 59 4.925 9.871 1.646 1.00 7.63 H new ATOM 948 N ASN A 60 11.554 3.988 3.150 1.00 12.38 N ATOM 949 CA ASN A 60 12.524 3.000 3.664 1.00 13.94 C ATOM 950 C ASN A 60 11.846 1.607 3.745 1.00 14.16 C ATOM 951 O ASN A 60 11.994 0.823 4.653 1.00 14.26 O ATOM 952 CB ASN A 60 13.228 3.344 5.015 1.00 19.23 C ATOM 953 CG ASN A 60 13.672 4.741 4.932 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.496 5.165 4.128 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.069 5.540 5.866 1.00 24.09 N ATOM 0 H ASN A 60 11.810 4.353 2.233 1.00 12.38 H new ATOM 0 HA ASN A 60 13.340 3.011 2.942 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.542 3.208 5.851 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.076 2.681 5.186 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.300 6.532 5.913 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.389 5.143 6.514 1.00 24.09 H new ATOM 962 N ILE A 61 11.036 1.244 2.708 1.00 11.08 N ATOM 963 CA ILE A 61 10.571 -0.097 2.444 1.00 11.78 C ATOM 964 C ILE A 61 11.600 -1.019 1.876 1.00 13.74 C ATOM 965 O ILE A 61 12.382 -0.625 1.014 1.00 14.60 O ATOM 966 CB ILE A 61 9.281 -0.003 1.658 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.262 0.851 2.372 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.803 -1.388 1.264 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.940 1.231 1.614 1.00 11.42 C ATOM 0 H ILE A 61 10.693 1.921 2.026 1.00 11.08 H new ATOM 0 HA ILE A 61 10.361 -0.592 3.392 1.00 11.78 H new ATOM 0 HB ILE A 61 9.458 0.521 0.719 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.981 0.334 3.290 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.754 1.778 2.666 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.874 -1.305 0.699 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.560 -1.873 0.648 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.630 -1.982 2.161 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.314 1.846 2.261 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.186 1.789 0.710 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.401 0.323 1.344 1.00 11.42 H new ATOM 981 N GLN A 62 11.613 -2.311 2.304 1.00 13.97 N ATOM 982 CA GLN A 62 12.728 -3.195 2.223 1.00 15.52 C ATOM 983 C GLN A 62 12.107 -4.611 2.086 1.00 13.94 C ATOM 984 O GLN A 62 10.881 -4.762 2.135 1.00 12.15 O ATOM 985 CB GLN A 62 13.727 -3.006 3.459 1.00 19.53 C ATOM 986 CG GLN A 62 15.148 -2.670 3.059 1.00 26.38 C ATOM 987 CD GLN A 62 15.623 -3.463 1.894 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.647 -4.727 1.986 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.986 -2.828 0.767 1.00 32.71 N ATOM 0 H GLN A 62 10.795 -2.749 2.727 1.00 13.97 H new ATOM 0 HA GLN A 62 13.373 -2.994 1.367 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.345 -2.214 4.103 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.734 -3.922 4.050 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.212 -1.608 2.820 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.810 -2.846 3.907 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.956 -1.809 0.723 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.291 -3.365 -0.045 1.00 32.71 H new ATOM 998 N LYS A 63 12.993 -5.606 1.783 1.00 11.73 N ATOM 999 CA LYS A 63 12.578 -7.011 1.750 1.00 11.97 C ATOM 1000 C LYS A 63 11.923 -7.472 3.084 1.00 10.41 C ATOM 1001 O LYS A 63 12.390 -7.386 4.200 1.00 9.59 O ATOM 1002 CB LYS A 63 13.745 -7.944 1.595 1.00 13.73 C ATOM 1003 CG LYS A 63 14.614 -7.794 0.359 1.00 16.98 C ATOM 1004 CD LYS A 63 15.610 -8.979 0.191 1.00 20.19 C ATOM 1005 CE LYS A 63 16.590 -9.132 1.361 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.479 -10.260 1.037 1.00 25.97 N ATOM 0 H LYS A 63 13.977 -5.449 1.564 1.00 11.73 H new ATOM 0 HA LYS A 63 11.886 -7.056 0.909 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.385 -7.828 2.470 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.362 -8.964 1.613 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.978 -7.728 -0.524 1.00 16.98 H new ATOM 0 HG3 LYS A 63 15.171 -6.859 0.420 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.045 -9.904 0.079 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.176 -8.838 -0.730 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.165 -8.217 1.504 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.053 -9.319 2.291 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.162 -10.397 1.810 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.913 -11.125 0.917 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.991 -10.056 0.155 1.00 25.97 H new ATOM 1020 N GLU A 64 10.696 -7.896 2.854 1.00 10.04 N ATOM 1021 CA GLU A 64 9.899 -8.470 3.869 1.00 10.94 C ATOM 1022 C GLU A 64 9.370 -7.429 4.926 1.00 9.74 C ATOM 1023 O GLU A 64 9.252 -7.704 6.147 1.00 9.42 O ATOM 1024 CB GLU A 64 10.483 -9.805 4.446 1.00 18.31 C ATOM 1025 CG GLU A 64 10.581 -11.070 3.528 1.00 24.16 C ATOM 1026 CD GLU A 64 10.999 -12.364 4.257 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.301 -12.940 5.131 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.197 -12.735 3.984 1.00 32.61 O ATOM 0 H GLU A 64 10.239 -7.842 1.944 1.00 10.04 H new ATOM 0 HA GLU A 64 8.982 -8.799 3.380 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.487 -9.590 4.812 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.879 -10.077 5.312 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.614 -11.233 3.053 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.298 -10.870 2.732 1.00 24.16 H new ATOM 1035 N SER A 65 9.105 -6.219 4.469 1.00 6.85 N ATOM 1036 CA SER A 65 8.431 -5.146 5.289 1.00 6.90 C ATOM 1037 C SER A 65 6.938 -5.354 5.433 1.00 4.72 C ATOM 1038 O SER A 65 6.282 -5.990 4.650 1.00 3.91 O ATOM 1039 CB SER A 65 8.637 -3.704 4.702 1.00 7.28 C ATOM 1040 OG SER A 65 9.974 -3.324 4.711 1.00 10.56 O ATOM 0 H SER A 65 9.338 -5.920 3.522 1.00 6.85 H new ATOM 0 HA SER A 65 8.914 -5.229 6.262 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.258 -3.671 3.681 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.053 -2.990 5.282 1.00 7.28 H new ATOM 0 HG SER A 65 10.037 -2.348 4.648 1.00 10.56 H new ATOM 1046 N THR A 66 6.417 -4.843 6.537 1.00 4.48 N ATOM 1047 CA THR A 66 5.034 -4.903 6.884 1.00 3.80 C ATOM 1048 C THR A 66 4.510 -3.604 6.479 1.00 4.60 C ATOM 1049 O THR A 66 5.054 -2.598 6.805 1.00 5.33 O ATOM 1050 CB THR A 66 4.708 -5.147 8.418 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.506 -6.233 8.843 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.224 -5.581 8.430 1.00 3.40 C ATOM 0 H THR A 66 6.982 -4.358 7.234 1.00 4.48 H new ATOM 0 HA THR A 66 4.586 -5.766 6.391 1.00 3.80 H new ATOM 0 HB THR A 66 4.891 -4.281 9.054 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.334 -6.414 9.791 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.909 -5.772 9.456 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.610 -4.788 8.004 1.00 3.40 H new ATOM 0 HG23 THR A 66 3.106 -6.489 7.839 1.00 3.40 H new ATOM 1060 N LEU A 67 3.427 -3.539 5.720 1.00 4.17 N ATOM 1061 CA LEU A 67 2.687 -2.484 5.183 1.00 3.85 C ATOM 1062 C LEU A 67 1.219 -2.756 5.619 1.00 3.80 C ATOM 1063 O LEU A 67 0.774 -3.883 5.783 1.00 5.54 O ATOM 1064 CB LEU A 67 2.681 -2.354 3.593 1.00 7.18 C ATOM 1065 CG LEU A 67 3.815 -1.520 2.980 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.167 -2.267 3.014 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.422 -1.280 1.514 1.00 11.66 C ATOM 0 H LEU A 67 2.996 -4.418 5.434 1.00 4.17 H new ATOM 0 HA LEU A 67 3.141 -1.561 5.544 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.723 -3.356 3.167 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.730 -1.917 3.288 1.00 7.18 H new ATOM 0 HG LEU A 67 3.942 -0.597 3.545 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.940 -1.640 2.570 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.432 -2.493 4.047 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.084 -3.195 2.449 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.194 -0.689 1.022 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.318 -2.238 1.004 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.474 -0.743 1.475 1.00 11.66 H new ATOM 1079 N HIS A 68 0.397 -1.677 5.739 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.970 -1.626 6.260 1.00 4.17 C ATOM 1081 C HIS A 68 -1.955 -0.982 5.230 1.00 5.32 C ATOM 1082 O HIS A 68 -1.585 0.002 4.607 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.006 -1.025 7.659 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.451 -1.999 8.618 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.842 -2.089 8.919 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.074 -3.026 9.264 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.967 -3.094 9.783 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.136 -3.763 9.979 1.00 16.30 N ATOM 0 H HIS A 68 0.713 -0.753 5.446 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.340 -2.644 6.387 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.429 -0.101 7.686 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.030 -0.770 7.932 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.133 -3.235 9.226 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.897 -3.334 10.277 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.276 -4.615 10.522 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.125 -1.590 5.181 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.133 -1.194 4.226 1.00 3.97 C ATOM 1098 C LEU A 69 -5.392 -1.036 5.039 1.00 5.07 C ATOM 1099 O LEU A 69 -5.738 -1.983 5.780 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.286 -2.228 3.037 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.576 -2.197 2.223 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.695 -0.850 1.490 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.694 -3.341 1.168 1.00 9.96 C ATOM 0 H LEU A 69 -3.397 -2.359 5.793 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.869 -0.266 3.719 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.454 -2.073 2.350 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.176 -3.231 3.450 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.382 -2.339 2.943 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.618 -0.832 0.910 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.708 -0.039 2.218 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.843 -0.723 0.822 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.639 -3.247 0.633 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.868 -3.270 0.460 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.658 -4.306 1.673 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.115 0.093 4.830 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.296 0.480 5.536 1.00 6.26 C ATOM 1117 C VAL A 70 -8.166 1.011 4.432 1.00 9.22 C ATOM 1118 O VAL A 70 -7.777 1.868 3.647 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.104 1.598 6.575 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.415 1.811 7.345 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.930 1.284 7.462 1.00 8.54 C ATOM 0 H VAL A 70 -5.849 0.774 4.119 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.683 -0.361 6.111 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.869 2.542 6.083 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.280 2.603 8.082 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.204 2.094 6.648 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.693 0.887 7.853 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.803 2.082 8.194 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.107 0.341 7.980 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.028 1.201 6.856 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.418 0.511 4.334 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.299 0.877 3.240 1.00 16.06 C ATOM 1133 C LEU A 71 -10.851 2.252 3.384 1.00 18.09 C ATOM 1134 O LEU A 71 -11.094 2.678 4.508 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.531 -0.019 3.030 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.216 -1.533 2.816 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.547 -2.225 2.441 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.221 -1.777 1.705 1.00 19.57 C ATOM 0 H LEU A 71 -9.825 -0.142 5.003 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.626 0.771 2.389 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.187 0.082 3.895 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.085 0.347 2.166 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.776 -1.926 3.732 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.372 -3.289 2.282 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.266 -2.093 3.249 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.943 -1.782 1.527 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.043 -2.848 1.605 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.618 -1.386 0.768 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.283 -1.274 1.940 1.00 19.57 H new