USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -72:sc= 1.25 USER MOD Set 1.2: A 57 SER OG : rot -29:sc= 0.00622 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.943 K(o=1.9,f=-6.2!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -119:sc= 0.952 (180deg=-0.318) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 175:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0142 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ 169:sc= 2.23 (180deg=2) USER MOD Single : A 2 GLN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.857 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.2 (180deg=-0.0426!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.37 (180deg=1.1) USER MOD Single : A 31 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.7!) USER MOD Single : A 41 GLN : amide:sc= 0.977 K(o=0.98,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.221 USER MOD Single : A 60 ASN : amide:sc= -0.0703 K(o=-0.07,f=-0.59) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 1.22 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.747 -7.225 -4.527 1.00 9.67 N ATOM 2 CA MET A 1 11.779 -7.629 -3.144 1.00 10.38 C ATOM 3 C MET A 1 10.338 -7.888 -2.742 1.00 9.62 C ATOM 4 O MET A 1 9.393 -7.357 -3.381 1.00 9.62 O ATOM 5 CB MET A 1 12.399 -6.476 -2.270 1.00 13.77 C ATOM 6 CG MET A 1 11.481 -5.334 -1.828 1.00 16.29 C ATOM 7 SD MET A 1 12.483 -3.970 -1.091 1.00 17.17 S ATOM 8 CE MET A 1 11.015 -2.827 -0.849 1.00 16.11 C ATOM 0 H1 MET A 1 12.680 -6.857 -4.803 1.00 9.67 H new ATOM 0 H2 MET A 1 11.508 -8.044 -5.122 1.00 9.67 H new ATOM 0 H3 MET A 1 11.030 -6.483 -4.655 1.00 9.67 H new ATOM 0 HA MET A 1 12.390 -8.520 -2.996 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.824 -6.928 -1.374 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.227 -6.041 -2.830 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.914 -4.961 -2.681 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.757 -5.699 -1.100 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.243 -2.103 -0.067 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.806 -2.301 -1.781 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.142 -3.412 -0.559 1.00 16.11 H new ATOM 20 N GLN A 2 10.156 -8.693 -1.651 1.00 9.27 N ATOM 21 CA GLN A 2 8.862 -9.033 -1.088 1.00 9.07 C ATOM 22 C GLN A 2 8.517 -7.989 -0.038 1.00 8.72 C ATOM 23 O GLN A 2 9.356 -7.538 0.740 1.00 8.22 O ATOM 24 CB GLN A 2 9.009 -10.431 -0.393 1.00 14.46 C ATOM 25 CG GLN A 2 7.774 -11.199 0.132 1.00 17.01 C ATOM 26 CD GLN A 2 8.061 -12.672 -0.058 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.284 -13.348 0.950 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.063 -13.191 -1.316 1.00 19.49 N ATOM 0 H GLN A 2 10.935 -9.118 -1.148 1.00 9.27 H new ATOM 0 HA GLN A 2 8.085 -9.063 -1.852 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.514 -11.087 -1.102 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.683 -10.296 0.453 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.596 -10.972 1.183 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.877 -10.907 -0.413 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.872 -12.588 -2.117 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.255 -14.183 -1.458 1.00 19.49 H new ATOM 37 N ILE A 3 7.222 -7.696 0.022 1.00 5.87 N ATOM 38 CA ILE A 3 6.562 -7.011 1.151 1.00 5.07 C ATOM 39 C ILE A 3 5.317 -7.696 1.400 1.00 4.01 C ATOM 40 O ILE A 3 4.873 -8.494 0.560 1.00 4.61 O ATOM 41 CB ILE A 3 6.167 -5.502 0.972 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.298 -5.166 -0.284 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.479 -4.742 0.953 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.717 -3.774 -0.314 1.00 10.83 C ATOM 0 H ILE A 3 6.575 -7.931 -0.731 1.00 5.87 H new ATOM 0 HA ILE A 3 7.311 -7.036 1.943 1.00 5.07 H new ATOM 0 HB ILE A 3 5.510 -5.215 1.793 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.909 -5.306 -1.176 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.480 -5.884 -0.342 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.281 -3.677 0.830 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.009 -4.907 1.891 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.092 -5.095 0.124 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.133 -3.643 -1.225 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.074 -3.629 0.554 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.525 -3.042 -0.293 1.00 10.83 H new ATOM 56 N PHE A 4 4.680 -7.434 2.580 1.00 4.55 N ATOM 57 CA PHE A 4 3.431 -8.027 2.975 1.00 4.68 C ATOM 58 C PHE A 4 2.427 -6.923 3.308 1.00 5.30 C ATOM 59 O PHE A 4 2.715 -5.873 3.895 1.00 5.58 O ATOM 60 CB PHE A 4 3.574 -8.907 4.254 1.00 4.83 C ATOM 61 CG PHE A 4 4.760 -9.816 4.165 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.709 -10.947 3.447 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.960 -9.429 4.776 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.863 -11.724 3.299 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.114 -10.238 4.675 1.00 10.61 C ATOM 66 CZ PHE A 4 7.095 -11.463 3.986 1.00 8.90 C ATOM 0 H PHE A 4 5.054 -6.787 3.274 1.00 4.55 H new ATOM 0 HA PHE A 4 3.100 -8.648 2.143 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.671 -8.265 5.130 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.670 -9.500 4.392 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.783 -11.256 2.986 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.003 -8.503 5.330 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.824 -12.570 2.628 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.032 -9.907 5.138 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.932 -12.146 3.975 1.00 8.90 H new ATOM 76 N VAL A 5 1.177 -7.081 2.869 1.00 4.44 N ATOM 77 CA VAL A 5 0.173 -6.044 3.094 1.00 3.87 C ATOM 78 C VAL A 5 -0.838 -6.642 4.009 1.00 4.93 C ATOM 79 O VAL A 5 -1.236 -7.791 3.851 1.00 6.84 O ATOM 80 CB VAL A 5 -0.413 -5.564 1.739 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.544 -4.555 1.977 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.753 -4.936 0.885 1.00 9.13 C ATOM 0 H VAL A 5 0.841 -7.902 2.365 1.00 4.44 H new ATOM 0 HA VAL A 5 0.586 -5.147 3.555 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.841 -6.404 1.192 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.946 -4.226 1.019 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.335 -5.026 2.560 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.155 -3.694 2.522 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.359 -4.593 -0.072 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.185 -4.092 1.423 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.523 -5.688 0.712 1.00 9.13 H new ATOM 92 N LYS A 6 -1.296 -5.899 5.057 1.00 6.04 N ATOM 93 CA LYS A 6 -2.273 -6.400 6.007 1.00 6.12 C ATOM 94 C LYS A 6 -3.572 -5.537 6.110 1.00 6.57 C ATOM 95 O LYS A 6 -3.562 -4.347 6.440 1.00 5.76 O ATOM 96 CB LYS A 6 -1.605 -6.661 7.351 1.00 7.45 C ATOM 97 CG LYS A 6 -0.675 -7.885 7.345 1.00 11.12 C ATOM 98 CD LYS A 6 -0.032 -8.157 8.711 1.00 14.54 C ATOM 99 CE LYS A 6 0.747 -9.486 8.740 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.146 -10.710 8.896 1.00 20.55 N ATOM 0 H LYS A 6 -0.987 -4.946 5.246 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.640 -7.351 5.622 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.032 -5.780 7.640 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.375 -6.803 8.109 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.242 -8.763 7.035 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.110 -7.734 6.604 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.643 -7.338 8.961 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.807 -8.177 9.477 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.323 -9.581 7.819 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.462 -9.461 9.562 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.431 -11.572 8.823 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.613 -10.683 9.825 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.867 -10.712 8.146 1.00 20.55 H new ATOM 114 N THR A 7 -4.738 -6.100 5.880 1.00 7.41 N ATOM 115 CA THR A 7 -6.011 -5.487 5.941 1.00 7.48 C ATOM 116 C THR A 7 -6.552 -5.325 7.337 1.00 8.75 C ATOM 117 O THR A 7 -6.171 -5.979 8.296 1.00 8.58 O ATOM 118 CB THR A 7 -6.943 -6.228 5.031 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.455 -7.403 5.575 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.229 -6.604 3.684 1.00 9.17 C ATOM 0 H THR A 7 -4.805 -7.085 5.625 1.00 7.41 H new ATOM 0 HA THR A 7 -5.909 -4.459 5.594 1.00 7.48 H new ATOM 0 HB THR A 7 -7.772 -5.539 4.867 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.054 -7.830 4.927 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.926 -7.141 3.040 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.898 -5.695 3.182 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.367 -7.237 3.894 1.00 9.17 H new ATOM 128 N LEU A 8 -7.527 -4.379 7.494 1.00 9.84 N ATOM 129 CA LEU A 8 -8.209 -4.152 8.784 1.00 14.15 C ATOM 130 C LEU A 8 -9.022 -5.289 9.267 1.00 17.37 C ATOM 131 O LEU A 8 -8.992 -5.693 10.443 1.00 17.01 O ATOM 132 CB LEU A 8 -9.212 -2.994 8.684 1.00 16.63 C ATOM 133 CG LEU A 8 -9.862 -2.535 9.995 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.908 -1.898 10.978 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.081 -1.603 9.681 1.00 18.59 C ATOM 0 H LEU A 8 -7.849 -3.771 6.741 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.381 -3.964 9.468 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.703 -2.139 8.239 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.004 -3.288 7.995 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.210 -3.435 10.503 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.453 -1.604 11.875 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.129 -2.612 11.244 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.453 -1.017 10.525 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.541 -1.278 10.614 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.738 -0.732 9.123 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.813 -2.150 9.087 1.00 18.59 H new ATOM 147 N THR A 9 -9.685 -5.988 8.311 1.00 18.33 N ATOM 148 CA THR A 9 -10.536 -7.166 8.631 1.00 19.24 C ATOM 149 C THR A 9 -9.831 -8.454 8.633 1.00 19.48 C ATOM 150 O THR A 9 -10.424 -9.510 8.786 1.00 23.14 O ATOM 151 CB THR A 9 -11.788 -7.191 7.668 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.336 -7.292 6.318 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.585 -5.867 7.804 1.00 19.70 C ATOM 0 H THR A 9 -9.648 -5.759 7.318 1.00 18.33 H new ATOM 0 HA THR A 9 -10.861 -7.039 9.663 1.00 19.24 H new ATOM 0 HB THR A 9 -12.420 -8.039 7.932 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.108 -7.310 5.715 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.447 -5.891 7.137 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.925 -5.751 8.833 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.943 -5.027 7.537 1.00 19.70 H new ATOM 161 N GLY A 10 -8.498 -8.462 8.483 1.00 19.43 N ATOM 162 CA GLY A 10 -7.543 -9.550 8.792 1.00 18.74 C ATOM 163 C GLY A 10 -7.024 -10.487 7.722 1.00 17.62 C ATOM 164 O GLY A 10 -6.800 -11.648 7.976 1.00 19.74 O ATOM 0 H GLY A 10 -8.015 -7.643 8.113 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.672 -9.083 9.251 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.011 -10.172 9.555 1.00 18.74 H new ATOM 168 N LYS A 11 -6.714 -9.991 6.542 1.00 13.56 N ATOM 169 CA LYS A 11 -6.065 -10.749 5.500 1.00 11.91 C ATOM 170 C LYS A 11 -4.660 -10.315 5.270 1.00 10.18 C ATOM 171 O LYS A 11 -4.301 -9.149 5.363 1.00 9.10 O ATOM 172 CB LYS A 11 -6.871 -10.428 4.148 1.00 13.43 C ATOM 173 CG LYS A 11 -6.526 -11.363 3.025 1.00 16.69 C ATOM 174 CD LYS A 11 -7.550 -11.359 1.862 1.00 17.92 C ATOM 175 CE LYS A 11 -7.163 -12.431 0.850 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.130 -12.481 -0.246 1.00 21.93 N ATOM 0 H LYS A 11 -6.912 -9.026 6.278 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.057 -11.801 5.784 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.941 -10.486 4.347 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.659 -9.404 3.839 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.545 -11.096 2.632 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.446 -12.375 3.421 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.553 -11.548 2.244 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.571 -10.380 1.383 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.169 -12.223 0.455 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.114 -13.402 1.343 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.652 -12.791 -1.116 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.888 -13.152 -0.010 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.538 -11.536 -0.392 1.00 21.93 H new ATOM 190 N THR A 12 -3.799 -11.288 4.919 1.00 9.63 N ATOM 191 CA THR A 12 -2.371 -11.064 4.606 1.00 9.85 C ATOM 192 C THR A 12 -2.152 -11.216 3.123 1.00 11.66 C ATOM 193 O THR A 12 -2.565 -12.217 2.603 1.00 12.33 O ATOM 194 CB THR A 12 -1.407 -11.765 5.476 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.665 -11.371 6.837 1.00 10.91 O ATOM 196 CG2 THR A 12 0.038 -11.233 5.171 1.00 9.63 C ATOM 0 H THR A 12 -4.077 -12.266 4.843 1.00 9.63 H new ATOM 0 HA THR A 12 -2.134 -10.032 4.866 1.00 9.85 H new ATOM 0 HB THR A 12 -1.494 -12.840 5.317 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.737 -12.169 7.401 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.757 -11.746 5.810 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.282 -11.422 4.126 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.080 -10.161 5.365 1.00 9.63 H new ATOM 204 N ILE A 13 -1.497 -10.288 2.441 1.00 10.42 N ATOM 205 CA ILE A 13 -1.212 -10.364 1.006 1.00 11.84 C ATOM 206 C ILE A 13 0.230 -10.180 0.739 1.00 10.55 C ATOM 207 O ILE A 13 0.846 -9.227 1.162 1.00 11.92 O ATOM 208 CB ILE A 13 -1.937 -9.274 0.152 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.447 -9.154 0.659 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.996 -9.738 -1.314 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.308 -8.079 -0.050 1.00 16.46 C ATOM 0 H ILE A 13 -1.138 -9.438 2.876 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.571 -11.353 0.720 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.404 -8.327 0.243 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.931 -10.122 0.534 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.437 -8.939 1.727 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.501 -8.982 -1.915 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.984 -9.884 -1.690 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.546 -10.677 -1.377 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.314 -8.083 0.371 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.857 -7.097 0.096 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.360 -8.299 -1.116 1.00 16.46 H new ATOM 223 N THR A 14 0.901 -11.147 -0.021 1.00 9.39 N ATOM 224 CA THR A 14 2.250 -11.030 -0.441 1.00 9.63 C ATOM 225 C THR A 14 2.287 -10.340 -1.787 1.00 11.20 C ATOM 226 O THR A 14 1.560 -10.724 -2.709 1.00 11.63 O ATOM 227 CB THR A 14 2.984 -12.357 -0.575 1.00 10.38 C ATOM 228 OG1 THR A 14 2.915 -13.108 0.627 1.00 16.30 O ATOM 229 CG2 THR A 14 4.528 -12.208 -0.882 1.00 11.66 C ATOM 0 H THR A 14 0.457 -12.013 -0.327 1.00 9.39 H new ATOM 0 HA THR A 14 2.758 -10.461 0.337 1.00 9.63 H new ATOM 0 HB THR A 14 2.482 -12.848 -1.409 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.393 -13.956 0.511 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.980 -13.197 -0.963 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.662 -11.670 -1.820 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.008 -11.655 -0.075 1.00 11.66 H new ATOM 237 N LEU A 15 3.190 -9.298 -1.922 1.00 8.29 N ATOM 238 CA LEU A 15 3.481 -8.497 -3.103 1.00 9.03 C ATOM 239 C LEU A 15 4.970 -8.540 -3.459 1.00 8.59 C ATOM 240 O LEU A 15 5.775 -8.943 -2.632 1.00 7.79 O ATOM 241 CB LEU A 15 3.100 -6.947 -3.051 1.00 11.08 C ATOM 242 CG LEU A 15 1.675 -6.717 -2.717 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.380 -5.191 -2.811 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.704 -7.404 -3.661 1.00 15.27 C ATOM 0 H LEU A 15 3.758 -9.002 -1.128 1.00 8.29 H new ATOM 0 HA LEU A 15 2.835 -8.972 -3.842 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.727 -6.448 -2.312 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.320 -6.491 -4.016 1.00 11.08 H new ATOM 0 HG LEU A 15 1.529 -7.127 -1.718 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.334 -5.007 -2.567 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.016 -4.653 -2.108 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.583 -4.843 -3.824 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.319 -7.189 -3.351 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.861 -7.037 -4.675 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.872 -8.481 -3.635 1.00 15.27 H new ATOM 256 N GLU A 16 5.332 -8.045 -4.669 1.00 11.04 N ATOM 257 CA GLU A 16 6.664 -7.953 -5.250 1.00 11.50 C ATOM 258 C GLU A 16 6.825 -6.487 -5.577 1.00 10.13 C ATOM 259 O GLU A 16 5.927 -5.972 -6.301 1.00 9.83 O ATOM 260 CB GLU A 16 6.766 -8.916 -6.495 1.00 17.22 C ATOM 261 CG GLU A 16 8.181 -8.933 -7.083 1.00 23.33 C ATOM 262 CD GLU A 16 9.268 -9.464 -6.173 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.086 -10.501 -5.475 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.349 -8.807 -6.002 1.00 28.90 O ATOM 0 H GLU A 16 4.627 -7.672 -5.305 1.00 11.04 H new ATOM 0 HA GLU A 16 7.471 -8.275 -4.592 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.483 -9.926 -6.198 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.058 -8.598 -7.260 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.169 -9.534 -7.992 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.444 -7.917 -7.377 1.00 23.33 H new ATOM 271 N VAL A 17 7.850 -5.824 -5.090 1.00 8.99 N ATOM 272 CA VAL A 17 8.147 -4.430 -5.321 1.00 8.85 C ATOM 273 C VAL A 17 9.596 -4.177 -5.516 1.00 8.04 C ATOM 274 O VAL A 17 10.369 -5.020 -5.182 1.00 8.99 O ATOM 275 CB VAL A 17 7.666 -3.504 -4.202 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.111 -3.609 -4.083 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.334 -3.823 -2.907 1.00 10.54 C ATOM 0 H VAL A 17 8.539 -6.272 -4.486 1.00 8.99 H new ATOM 0 HA VAL A 17 7.598 -4.202 -6.235 1.00 8.85 H new ATOM 0 HB VAL A 17 7.936 -2.477 -4.449 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.762 -2.951 -3.287 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.653 -3.312 -5.026 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.832 -4.637 -3.852 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.970 -3.147 -2.133 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.109 -4.852 -2.625 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.412 -3.704 -3.015 1.00 10.54 H new ATOM 287 N GLU A 18 9.980 -2.990 -5.889 1.00 7.29 N ATOM 288 CA GLU A 18 11.390 -2.572 -5.754 1.00 7.08 C ATOM 289 C GLU A 18 11.271 -1.214 -5.095 1.00 6.45 C ATOM 290 O GLU A 18 10.229 -0.575 -5.228 1.00 5.28 O ATOM 291 CB GLU A 18 12.136 -2.428 -7.054 1.00 10.28 C ATOM 292 CG GLU A 18 12.298 -3.760 -7.748 1.00 12.65 C ATOM 293 CD GLU A 18 13.175 -4.755 -7.002 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.441 -4.547 -6.910 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.739 -5.882 -6.733 1.00 18.17 O ATOM 0 H GLU A 18 9.361 -2.284 -6.288 1.00 7.29 H new ATOM 0 HA GLU A 18 11.959 -3.322 -5.205 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.601 -1.738 -7.707 1.00 10.28 H new ATOM 0 HB3 GLU A 18 13.117 -1.993 -6.866 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.312 -4.202 -7.895 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.722 -3.591 -8.738 1.00 12.65 H new ATOM 302 N PRO A 19 12.351 -0.669 -4.486 1.00 7.24 N ATOM 303 CA PRO A 19 12.251 0.555 -3.672 1.00 7.07 C ATOM 304 C PRO A 19 11.762 1.767 -4.499 1.00 6.65 C ATOM 305 O PRO A 19 11.207 2.661 -3.841 1.00 6.37 O ATOM 306 CB PRO A 19 13.761 0.859 -3.223 1.00 7.61 C ATOM 307 CG PRO A 19 14.442 -0.490 -3.251 1.00 8.16 C ATOM 308 CD PRO A 19 13.637 -1.316 -4.275 1.00 7.49 C ATOM 0 HA PRO A 19 11.547 0.410 -2.852 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.244 1.562 -3.903 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.798 1.302 -2.228 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.487 -0.400 -3.549 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.431 -0.959 -2.267 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.183 -1.388 -5.216 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.493 -2.333 -3.911 1.00 7.49 H new ATOM 316 N SER A 20 12.008 1.804 -5.796 1.00 6.80 N ATOM 317 CA SER A 20 11.549 2.736 -6.749 1.00 6.28 C ATOM 318 C SER A 20 10.081 2.829 -7.069 1.00 8.45 C ATOM 319 O SER A 20 9.639 3.825 -7.672 1.00 7.26 O ATOM 320 CB SER A 20 12.229 2.294 -8.147 1.00 8.57 C ATOM 321 OG SER A 20 13.629 2.331 -8.053 1.00 11.13 O ATOM 0 H SER A 20 12.600 1.096 -6.230 1.00 6.80 H new ATOM 0 HA SER A 20 11.802 3.699 -6.306 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.904 1.288 -8.413 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.896 2.958 -8.945 1.00 8.57 H new ATOM 0 HG SER A 20 14.022 2.059 -8.909 1.00 11.13 H new ATOM 327 N ASP A 21 9.249 1.780 -6.716 1.00 7.50 N ATOM 328 CA ASP A 21 7.813 1.819 -7.045 1.00 7.70 C ATOM 329 C ASP A 21 6.997 2.861 -6.223 1.00 7.08 C ATOM 330 O ASP A 21 7.251 3.265 -5.108 1.00 8.11 O ATOM 331 CB ASP A 21 7.248 0.370 -6.948 1.00 11.00 C ATOM 332 CG ASP A 21 7.882 -0.559 -7.964 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.072 -0.085 -9.140 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.262 -1.710 -7.628 1.00 14.36 O ATOM 0 H ASP A 21 9.555 0.940 -6.224 1.00 7.50 H new ATOM 0 HA ASP A 21 7.702 2.181 -8.067 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.420 -0.019 -5.945 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.169 0.391 -7.101 1.00 11.00 H new ATOM 339 N THR A 22 5.961 3.512 -6.906 1.00 5.37 N ATOM 340 CA THR A 22 5.149 4.577 -6.193 1.00 6.01 C ATOM 341 C THR A 22 4.108 3.859 -5.335 1.00 8.01 C ATOM 342 O THR A 22 3.712 2.661 -5.440 1.00 8.11 O ATOM 343 CB THR A 22 4.565 5.577 -7.093 1.00 8.92 C ATOM 344 OG1 THR A 22 3.871 5.037 -8.245 1.00 10.22 O ATOM 345 CG2 THR A 22 5.601 6.571 -7.545 1.00 9.65 C ATOM 0 H THR A 22 5.692 3.330 -7.873 1.00 5.37 H new ATOM 0 HA THR A 22 5.809 5.171 -5.560 1.00 6.01 H new ATOM 0 HB THR A 22 3.803 6.071 -6.489 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.514 5.772 -8.786 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.140 7.300 -8.211 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.016 7.084 -6.677 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.399 6.050 -8.074 1.00 9.65 H new ATOM 353 N ILE A 23 3.534 4.569 -4.425 1.00 8.32 N ATOM 354 CA ILE A 23 2.385 4.037 -3.617 1.00 9.92 C ATOM 355 C ILE A 23 1.080 3.755 -4.501 1.00 10.01 C ATOM 356 O ILE A 23 0.405 2.760 -4.318 1.00 8.71 O ATOM 357 CB ILE A 23 1.912 4.950 -2.479 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.052 5.270 -1.493 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.733 4.319 -1.720 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.805 4.067 -1.018 1.00 12.30 C ATOM 0 H ILE A 23 3.809 5.523 -4.189 1.00 8.32 H new ATOM 0 HA ILE A 23 2.809 3.121 -3.205 1.00 9.92 H new ATOM 0 HB ILE A 23 1.583 5.883 -2.937 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.750 5.957 -1.972 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.636 5.789 -0.630 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.417 4.987 -0.918 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.098 4.158 -2.407 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.043 3.364 -1.296 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.590 4.378 -0.328 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.122 3.388 -0.508 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.253 3.558 -1.871 1.00 12.30 H new ATOM 372 N GLU A 24 0.829 4.575 -5.475 1.00 9.54 N ATOM 373 CA GLU A 24 -0.164 4.348 -6.517 1.00 11.81 C ATOM 374 C GLU A 24 0.110 3.025 -7.296 1.00 11.14 C ATOM 375 O GLU A 24 -0.859 2.297 -7.532 1.00 10.62 O ATOM 376 CB GLU A 24 -0.096 5.520 -7.597 1.00 19.24 C ATOM 377 CG GLU A 24 -1.089 5.432 -8.761 1.00 27.76 C ATOM 378 CD GLU A 24 -0.719 6.414 -9.747 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.261 6.262 -10.515 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.359 7.482 -9.733 1.00 36.51 O ATOM 0 H GLU A 24 1.323 5.461 -5.583 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.133 4.303 -6.020 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.255 6.468 -7.083 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.913 5.546 -8.010 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.076 4.433 -9.197 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.104 5.612 -8.408 1.00 27.76 H new ATOM 387 N ASN A 25 1.391 2.653 -7.463 1.00 9.43 N ATOM 388 CA ASN A 25 1.803 1.401 -8.076 1.00 10.96 C ATOM 389 C ASN A 25 1.712 0.229 -7.112 1.00 9.68 C ATOM 390 O ASN A 25 1.428 -0.935 -7.488 1.00 9.33 O ATOM 391 CB ASN A 25 3.239 1.561 -8.639 1.00 16.78 C ATOM 392 CG ASN A 25 3.655 0.438 -9.644 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.980 -0.699 -9.315 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.600 0.740 -10.937 1.00 24.70 N ATOM 0 H ASN A 25 2.176 3.233 -7.166 1.00 9.43 H new ATOM 0 HA ASN A 25 1.117 1.173 -8.892 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.318 2.528 -9.137 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.945 1.571 -7.809 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.826 0.032 -11.636 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.332 1.679 -11.230 1.00 24.70 H new ATOM 401 N VAL A 26 1.662 0.459 -5.786 1.00 6.52 N ATOM 402 CA VAL A 26 1.325 -0.634 -4.806 1.00 5.53 C ATOM 403 C VAL A 26 -0.224 -0.847 -4.756 1.00 4.42 C ATOM 404 O VAL A 26 -0.696 -1.979 -4.804 1.00 3.40 O ATOM 405 CB VAL A 26 1.941 -0.340 -3.417 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.544 -1.426 -2.501 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.492 -0.228 -3.601 1.00 8.12 C ATOM 0 H VAL A 26 1.844 1.367 -5.358 1.00 6.52 H new ATOM 0 HA VAL A 26 1.768 -1.572 -5.141 1.00 5.53 H new ATOM 0 HB VAL A 26 1.587 0.596 -2.985 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.967 -1.242 -1.513 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.457 -1.463 -2.430 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.915 -2.377 -2.882 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.959 -0.020 -2.638 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.880 -1.166 -3.998 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.719 0.581 -4.296 1.00 8.12 H new ATOM 417 N LYS A 27 -0.959 0.288 -4.735 1.00 2.64 N ATOM 418 CA LYS A 27 -2.427 0.221 -4.847 1.00 4.14 C ATOM 419 C LYS A 27 -3.021 -0.444 -6.146 1.00 5.58 C ATOM 420 O LYS A 27 -4.051 -1.098 -6.081 1.00 4.11 O ATOM 421 CB LYS A 27 -3.147 1.566 -4.687 1.00 3.97 C ATOM 422 CG LYS A 27 -2.826 2.319 -3.374 1.00 7.45 C ATOM 423 CD LYS A 27 -3.402 3.745 -3.407 1.00 9.02 C ATOM 424 CE LYS A 27 -3.421 4.470 -2.048 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.156 5.743 -2.168 1.00 15.47 N ATOM 0 H LYS A 27 -0.574 1.228 -4.645 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.624 -0.437 -4.000 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.885 2.205 -5.530 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.222 1.395 -4.738 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.241 1.774 -2.526 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.747 2.361 -3.228 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.820 4.340 -4.111 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.421 3.701 -3.793 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.892 3.838 -1.295 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.401 4.659 -1.713 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.864 6.386 -1.404 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.945 6.180 -3.088 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.178 5.562 -2.097 1.00 15.47 H new ATOM 439 N ALA A 28 -2.262 -0.439 -7.296 1.00 6.61 N ATOM 440 CA ALA A 28 -2.568 -1.139 -8.546 1.00 7.74 C ATOM 441 C ALA A 28 -2.515 -2.640 -8.375 1.00 9.17 C ATOM 442 O ALA A 28 -3.372 -3.417 -8.821 1.00 11.45 O ATOM 443 CB ALA A 28 -1.653 -0.720 -9.703 1.00 7.68 C ATOM 0 H ALA A 28 -1.388 0.083 -7.353 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.586 -0.846 -8.803 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.927 -1.272 -10.602 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.763 0.349 -9.885 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.617 -0.939 -9.445 1.00 7.68 H new ATOM 449 N LYS A 29 -1.507 -3.076 -7.636 1.00 8.96 N ATOM 450 CA LYS A 29 -1.334 -4.422 -7.318 1.00 7.90 C ATOM 451 C LYS A 29 -2.400 -5.034 -6.414 1.00 6.92 C ATOM 452 O LYS A 29 -2.827 -6.149 -6.668 1.00 6.87 O ATOM 453 CB LYS A 29 0.068 -4.596 -6.589 1.00 10.28 C ATOM 454 CG LYS A 29 1.217 -4.218 -7.549 1.00 14.94 C ATOM 455 CD LYS A 29 2.605 -4.436 -6.792 1.00 19.69 C ATOM 456 CE LYS A 29 3.580 -3.356 -7.199 1.00 22.63 C ATOM 457 NZ LYS A 29 3.706 -3.249 -8.660 1.00 24.98 N ATOM 0 H LYS A 29 -0.789 -2.464 -7.248 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.402 -4.949 -8.270 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.105 -3.966 -5.700 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.187 -5.627 -6.255 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.176 -4.832 -8.448 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.118 -3.180 -7.867 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.450 -4.412 -5.713 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.012 -5.418 -7.034 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.252 -2.399 -6.793 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.557 -3.568 -6.765 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.689 -3.443 -8.939 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.075 -3.939 -9.114 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.444 -2.289 -8.962 1.00 24.98 H new ATOM 471 N ILE A 30 -2.932 -4.322 -5.351 1.00 4.57 N ATOM 472 CA ILE A 30 -3.949 -4.728 -4.411 1.00 5.58 C ATOM 473 C ILE A 30 -5.302 -4.643 -5.067 1.00 7.26 C ATOM 474 O ILE A 30 -6.197 -5.403 -4.751 1.00 9.46 O ATOM 475 CB ILE A 30 -3.913 -3.839 -3.193 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.539 -3.972 -2.506 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.100 -4.207 -2.222 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.438 -3.052 -1.361 1.00 2.00 C ATOM 0 H ILE A 30 -2.605 -3.377 -5.150 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.761 -5.756 -4.101 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.044 -2.797 -3.484 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.394 -4.998 -2.168 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.746 -3.757 -3.223 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.067 -3.560 -1.345 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.049 -4.068 -2.739 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.005 -5.247 -1.910 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.461 -3.162 -0.891 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.561 -2.026 -1.707 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.218 -3.286 -0.636 1.00 2.00 H new ATOM 490 N GLN A 31 -5.490 -3.744 -6.063 1.00 7.06 N ATOM 491 CA GLN A 31 -6.649 -3.751 -6.905 1.00 8.67 C ATOM 492 C GLN A 31 -6.771 -5.058 -7.797 1.00 10.90 C ATOM 493 O GLN A 31 -7.814 -5.703 -7.897 1.00 9.63 O ATOM 494 CB GLN A 31 -6.597 -2.575 -7.904 1.00 9.12 C ATOM 495 CG GLN A 31 -7.943 -2.367 -8.670 1.00 10.76 C ATOM 496 CD GLN A 31 -7.996 -1.188 -9.671 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.921 -0.367 -9.597 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.969 -1.038 -10.519 1.00 14.76 N ATOM 0 H GLN A 31 -4.824 -3.003 -6.283 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.494 -3.688 -6.219 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.345 -1.660 -7.368 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.799 -2.752 -8.625 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.172 -3.285 -9.212 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.735 -2.225 -7.935 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.227 -1.737 -10.550 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.930 -0.225 -11.134 1.00 14.76 H new ATOM 507 N ASP A 32 -5.649 -5.431 -8.456 1.00 10.93 N ATOM 508 CA ASP A 32 -5.532 -6.688 -9.126 1.00 14.01 C ATOM 509 C ASP A 32 -5.682 -7.959 -8.320 1.00 14.04 C ATOM 510 O ASP A 32 -6.313 -8.852 -8.779 1.00 13.39 O ATOM 511 CB ASP A 32 -4.193 -6.757 -9.881 1.00 18.01 C ATOM 512 CG ASP A 32 -4.237 -5.667 -11.022 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.331 -5.535 -11.633 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.212 -5.056 -11.343 1.00 26.29 O ATOM 0 H ASP A 32 -4.815 -4.848 -8.521 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.408 -6.681 -9.775 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.360 -6.570 -9.203 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.042 -7.750 -10.305 1.00 18.01 H new ATOM 519 N LYS A 33 -5.131 -7.986 -7.059 1.00 14.22 N ATOM 520 CA LYS A 33 -5.427 -9.040 -6.156 1.00 14.00 C ATOM 521 C LYS A 33 -6.891 -9.080 -5.621 1.00 12.37 C ATOM 522 O LYS A 33 -7.631 -10.035 -5.761 1.00 12.17 O ATOM 523 CB LYS A 33 -4.546 -9.002 -4.894 1.00 18.62 C ATOM 524 CG LYS A 33 -2.994 -9.181 -5.080 1.00 24.00 C ATOM 525 CD LYS A 33 -2.690 -10.727 -5.185 1.00 27.61 C ATOM 526 CE LYS A 33 -1.193 -11.034 -4.954 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.056 -12.462 -4.869 1.00 30.06 N ATOM 0 H LYS A 33 -4.494 -7.278 -6.695 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.240 -9.916 -6.778 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.716 -8.048 -4.395 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.895 -9.782 -4.218 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.656 -8.664 -5.978 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.456 -8.743 -4.239 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.289 -11.266 -4.451 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.988 -11.090 -6.169 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.589 -10.638 -5.771 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.841 -10.559 -4.038 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.057 -12.706 -4.713 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.627 -12.819 -4.077 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.384 -12.896 -5.756 1.00 30.06 H new ATOM 541 N GLU A 34 -7.392 -7.982 -5.036 1.00 10.11 N ATOM 542 CA GLU A 34 -8.544 -7.928 -4.158 1.00 10.07 C ATOM 543 C GLU A 34 -9.825 -7.261 -4.686 1.00 9.32 C ATOM 544 O GLU A 34 -10.908 -7.221 -4.084 1.00 11.61 O ATOM 545 CB GLU A 34 -8.227 -7.383 -2.744 1.00 14.77 C ATOM 546 CG GLU A 34 -7.172 -8.180 -1.897 1.00 18.75 C ATOM 547 CD GLU A 34 -7.494 -9.653 -1.689 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.593 -9.924 -1.106 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.724 -10.605 -2.024 1.00 25.19 O ATOM 0 H GLU A 34 -6.973 -7.063 -5.178 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.780 -8.991 -4.107 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.874 -6.357 -2.847 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.158 -7.345 -2.178 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.201 -8.101 -2.387 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.077 -7.703 -0.921 1.00 18.75 H new ATOM 556 N GLY A 35 -9.796 -6.588 -5.873 1.00 7.22 N ATOM 557 CA GLY A 35 -10.967 -5.846 -6.341 1.00 6.29 C ATOM 558 C GLY A 35 -11.340 -4.694 -5.465 1.00 6.93 C ATOM 559 O GLY A 35 -12.538 -4.484 -5.257 1.00 7.41 O ATOM 0 H GLY A 35 -8.990 -6.553 -6.497 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.773 -5.477 -7.348 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.814 -6.528 -6.409 1.00 6.29 H new ATOM 563 N ILE A 36 -10.299 -4.007 -4.948 1.00 5.86 N ATOM 564 CA ILE A 36 -10.492 -2.819 -4.129 1.00 6.07 C ATOM 565 C ILE A 36 -9.913 -1.661 -4.843 1.00 6.36 C ATOM 566 O ILE A 36 -8.681 -1.645 -5.017 1.00 6.18 O ATOM 567 CB ILE A 36 -9.779 -2.984 -2.775 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.142 -4.287 -2.001 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.124 -1.750 -1.886 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.161 -4.606 -0.896 1.00 9.49 C ATOM 0 H ILE A 36 -9.322 -4.264 -5.090 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.557 -2.668 -3.950 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.713 -3.056 -2.992 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.140 -4.185 -1.576 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.177 -5.122 -2.701 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.628 -1.847 -0.920 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.783 -0.840 -2.379 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.203 -1.699 -1.736 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.466 -5.524 -0.393 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.166 -4.738 -1.320 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.143 -3.787 -0.177 1.00 9.49 H new ATOM 582 N PRO A 37 -10.616 -0.723 -5.406 1.00 8.65 N ATOM 583 CA PRO A 37 -9.990 0.424 -6.132 1.00 9.18 C ATOM 584 C PRO A 37 -8.873 1.275 -5.488 1.00 9.85 C ATOM 585 O PRO A 37 -8.919 1.420 -4.284 1.00 8.51 O ATOM 586 CB PRO A 37 -11.179 1.337 -6.377 1.00 11.42 C ATOM 587 CG PRO A 37 -12.398 0.395 -6.490 1.00 9.27 C ATOM 588 CD PRO A 37 -12.071 -0.677 -5.479 1.00 8.33 C ATOM 0 HA PRO A 37 -9.448 -0.012 -6.971 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.305 2.047 -5.560 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.046 1.920 -7.288 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.331 0.907 -6.253 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.505 -0.013 -7.495 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.504 -0.443 -4.507 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.478 -1.641 -5.785 1.00 8.33 H new ATOM 596 N PRO A 38 -7.848 1.834 -6.044 1.00 8.71 N ATOM 597 CA PRO A 38 -6.853 2.795 -5.469 1.00 9.08 C ATOM 598 C PRO A 38 -7.415 4.052 -4.868 1.00 9.28 C ATOM 599 O PRO A 38 -6.731 4.571 -3.980 1.00 6.50 O ATOM 600 CB PRO A 38 -5.868 3.092 -6.654 1.00 10.31 C ATOM 601 CG PRO A 38 -5.943 1.877 -7.539 1.00 10.81 C ATOM 602 CD PRO A 38 -7.413 1.338 -7.334 1.00 12.00 C ATOM 0 HA PRO A 38 -6.371 2.344 -4.602 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.161 3.992 -7.194 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.853 3.254 -6.292 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.754 2.132 -8.582 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.202 1.130 -7.254 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.071 1.690 -8.129 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.436 0.249 -7.360 1.00 12.00 H new ATOM 610 N ASP A 39 -8.558 4.526 -5.305 1.00 11.20 N ATOM 611 CA ASP A 39 -9.189 5.660 -4.589 1.00 14.96 C ATOM 612 C ASP A 39 -9.831 5.257 -3.257 1.00 13.99 C ATOM 613 O ASP A 39 -9.834 6.074 -2.328 1.00 13.75 O ATOM 614 CB ASP A 39 -10.212 6.272 -5.520 1.00 24.16 C ATOM 615 CG ASP A 39 -9.593 6.998 -6.687 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.791 7.968 -6.528 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.012 6.646 -7.808 1.00 34.22 O ATOM 0 H ASP A 39 -9.069 4.177 -6.116 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.415 6.380 -4.324 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.868 5.487 -5.895 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.836 6.967 -4.958 1.00 24.16 H new ATOM 622 N GLN A 40 -10.251 3.968 -3.109 1.00 11.60 N ATOM 623 CA GLN A 40 -10.796 3.508 -1.801 1.00 10.76 C ATOM 624 C GLN A 40 -9.758 3.187 -0.760 1.00 8.01 C ATOM 625 O GLN A 40 -9.927 3.111 0.463 1.00 8.96 O ATOM 626 CB GLN A 40 -11.631 2.218 -2.069 1.00 11.14 C ATOM 627 CG GLN A 40 -12.505 1.759 -0.898 1.00 14.85 C ATOM 628 CD GLN A 40 -13.342 0.586 -1.254 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.239 -0.031 -2.273 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.273 0.210 -0.349 1.00 18.16 N ATOM 0 H GLN A 40 -10.225 3.259 -3.842 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.383 4.333 -1.397 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.271 2.390 -2.935 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.949 1.410 -2.333 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.870 1.507 -0.049 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.148 2.580 -0.582 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.373 0.727 0.525 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.876 -0.590 -0.540 1.00 18.16 H new ATOM 639 N GLN A 41 -8.586 2.854 -1.274 1.00 6.52 N ATOM 640 CA GLN A 41 -7.420 2.474 -0.505 1.00 3.87 C ATOM 641 C GLN A 41 -6.624 3.647 0.101 1.00 4.79 C ATOM 642 O GLN A 41 -6.329 4.646 -0.548 1.00 6.34 O ATOM 643 CB GLN A 41 -6.374 1.722 -1.366 1.00 4.20 C ATOM 644 CG GLN A 41 -6.845 0.354 -1.976 1.00 3.20 C ATOM 645 CD GLN A 41 -5.781 -0.292 -2.847 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.633 -0.468 -2.546 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.197 -0.785 -4.038 1.00 7.13 N ATOM 0 H GLN A 41 -8.417 2.842 -2.280 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.859 1.862 0.284 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.067 2.375 -2.183 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.491 1.540 -0.754 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.112 -0.328 -1.168 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.746 0.515 -2.568 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.165 -0.658 -4.333 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.542 -1.284 -4.640 1.00 7.13 H new ATOM 656 N ARG A 42 -6.234 3.461 1.376 1.00 5.73 N ATOM 657 CA ARG A 42 -5.264 4.239 2.024 1.00 6.97 C ATOM 658 C ARG A 42 -4.322 3.261 2.779 1.00 7.15 C ATOM 659 O ARG A 42 -4.740 2.340 3.393 1.00 7.33 O ATOM 660 CB ARG A 42 -5.859 5.214 3.077 1.00 13.23 C ATOM 661 CG ARG A 42 -6.185 6.550 2.412 1.00 21.27 C ATOM 662 CD ARG A 42 -6.331 7.690 3.477 1.00 26.14 C ATOM 663 NE ARG A 42 -6.802 8.884 2.698 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.161 10.031 3.279 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.426 10.298 4.527 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.079 11.125 2.507 1.00 36.39 N ATOM 0 H ARG A 42 -6.624 2.729 1.969 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.759 4.839 1.267 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.760 4.785 3.516 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.149 5.365 3.890 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.398 6.809 1.704 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.110 6.460 1.842 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.046 7.417 4.253 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.382 7.891 3.974 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.850 8.816 1.681 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.371 9.560 5.229 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.689 11.245 4.801 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.758 11.045 1.542 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.338 12.036 2.885 1.00 36.39 H new ATOM 680 N LEU A 43 -2.979 3.551 2.638 1.00 4.65 N ATOM 681 CA LEU A 43 -1.918 2.742 3.228 1.00 3.51 C ATOM 682 C LEU A 43 -1.252 3.406 4.409 1.00 5.56 C ATOM 683 O LEU A 43 -1.190 4.661 4.456 1.00 4.19 O ATOM 684 CB LEU A 43 -0.869 2.193 2.200 1.00 3.74 C ATOM 685 CG LEU A 43 -1.581 1.293 1.087 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.552 0.793 0.084 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.342 0.067 1.623 1.00 6.41 C ATOM 0 H LEU A 43 -2.635 4.353 2.110 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.440 1.863 3.607 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.350 3.025 1.724 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.115 1.604 2.722 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.319 1.955 0.634 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.047 0.181 -0.670 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.070 1.644 -0.398 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.199 0.196 0.601 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.788 -0.477 0.790 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.650 -0.587 2.154 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.127 0.395 2.304 1.00 6.41 H new ATOM 699 N ILE A 44 -0.741 2.521 5.342 1.00 4.58 N ATOM 700 CA ILE A 44 0.065 2.985 6.485 1.00 5.55 C ATOM 701 C ILE A 44 1.487 2.397 6.499 1.00 5.46 C ATOM 702 O ILE A 44 1.700 1.194 6.398 1.00 6.04 O ATOM 703 CB ILE A 44 -0.686 2.724 7.852 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.102 3.392 7.882 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.129 3.218 9.046 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.148 2.836 8.894 1.00 13.90 C ATOM 0 H ILE A 44 -0.882 1.511 5.307 1.00 4.58 H new ATOM 0 HA ILE A 44 0.187 4.061 6.363 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.809 1.644 7.927 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.967 4.453 8.090 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.530 3.315 6.882 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.419 3.021 9.967 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.085 2.696 9.075 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.303 4.290 8.949 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.079 3.396 8.800 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.335 1.783 8.683 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.763 2.940 9.909 1.00 13.90 H new ATOM 718 N PHE A 45 2.562 3.240 6.759 1.00 6.75 N ATOM 719 CA PHE A 45 3.858 2.759 7.190 1.00 4.70 C ATOM 720 C PHE A 45 4.413 3.806 8.173 1.00 6.34 C ATOM 721 O PHE A 45 4.320 5.005 7.945 1.00 5.45 O ATOM 722 CB PHE A 45 4.775 2.527 5.993 1.00 5.51 C ATOM 723 CG PHE A 45 5.962 1.751 6.381 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.934 0.336 6.486 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.138 2.450 6.818 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.056 -0.381 6.965 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.217 1.729 7.383 1.00 6.64 C ATOM 728 CZ PHE A 45 8.159 0.336 7.476 1.00 6.84 C ATOM 0 H PHE A 45 2.512 4.254 6.664 1.00 6.75 H new ATOM 0 HA PHE A 45 3.783 1.793 7.689 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.231 1.999 5.210 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.083 3.485 5.575 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.043 -0.202 6.196 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.199 3.523 6.716 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.068 -1.461 6.940 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.088 2.257 7.743 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.970 -0.200 7.946 1.00 6.84 H new ATOM 738 N ALA A 46 4.887 3.344 9.315 1.00 6.53 N ATOM 739 CA ALA A 46 5.518 4.175 10.379 1.00 7.15 C ATOM 740 C ALA A 46 4.721 5.383 10.906 1.00 9.00 C ATOM 741 O ALA A 46 5.181 6.431 11.180 1.00 11.15 O ATOM 742 CB ALA A 46 6.920 4.660 10.014 1.00 8.99 C ATOM 0 H ALA A 46 4.853 2.353 9.556 1.00 6.53 H new ATOM 0 HA ALA A 46 5.549 3.450 11.193 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.322 5.259 10.831 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.568 3.801 9.840 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.871 5.266 9.110 1.00 8.99 H new ATOM 748 N GLY A 47 3.422 5.149 11.181 1.00 9.35 N ATOM 749 CA GLY A 47 2.347 6.019 11.500 1.00 11.68 C ATOM 750 C GLY A 47 1.877 6.953 10.424 1.00 11.14 C ATOM 751 O GLY A 47 0.995 7.796 10.665 1.00 13.93 O ATOM 0 H GLY A 47 3.088 4.185 11.174 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.499 5.408 11.811 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.642 6.618 12.362 1.00 11.68 H new ATOM 755 N LYS A 48 2.481 6.926 9.233 1.00 10.47 N ATOM 756 CA LYS A 48 2.198 7.793 8.100 1.00 8.82 C ATOM 757 C LYS A 48 1.196 7.091 7.190 1.00 7.68 C ATOM 758 O LYS A 48 1.357 5.953 6.745 1.00 6.47 O ATOM 759 CB LYS A 48 3.437 8.216 7.321 1.00 9.74 C ATOM 760 CG LYS A 48 4.479 8.890 8.226 1.00 14.14 C ATOM 761 CD LYS A 48 4.094 10.292 8.691 1.00 16.32 C ATOM 762 CE LYS A 48 5.335 10.896 9.512 1.00 20.04 C ATOM 763 NZ LYS A 48 5.099 12.284 10.115 1.00 23.92 N ATOM 0 H LYS A 48 3.223 6.257 9.028 1.00 10.47 H new ATOM 0 HA LYS A 48 1.780 8.720 8.492 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.881 7.343 6.843 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.149 8.903 6.525 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.643 8.262 9.102 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.427 8.945 7.691 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.857 10.926 7.837 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.203 10.255 9.318 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.590 10.206 10.316 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.199 10.946 8.850 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.952 12.591 10.625 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.887 12.961 9.355 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.297 12.244 10.776 1.00 23.92 H new ATOM 777 N GLN A 49 0.148 7.868 6.804 1.00 8.89 N ATOM 778 CA GLN A 49 -0.749 7.566 5.695 1.00 7.18 C ATOM 779 C GLN A 49 -0.130 8.095 4.444 1.00 8.23 C ATOM 780 O GLN A 49 0.401 9.212 4.338 1.00 9.70 O ATOM 781 CB GLN A 49 -2.107 8.294 5.818 1.00 11.67 C ATOM 782 CG GLN A 49 -3.015 7.692 6.926 1.00 15.82 C ATOM 783 CD GLN A 49 -4.416 8.365 7.041 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.733 9.284 6.287 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.321 7.917 7.967 1.00 20.67 N ATOM 0 H GLN A 49 -0.088 8.740 7.278 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.907 6.488 5.693 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.931 9.348 6.032 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.628 8.246 4.862 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.151 6.628 6.731 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.504 7.777 7.885 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -5.071 7.156 8.598 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.245 8.345 8.025 1.00 20.67 H new ATOM 794 N LEU A 50 -0.007 7.187 3.477 1.00 6.51 N ATOM 795 CA LEU A 50 0.846 7.249 2.335 1.00 7.41 C ATOM 796 C LEU A 50 0.135 8.042 1.249 1.00 8.27 C ATOM 797 O LEU A 50 -1.092 8.141 1.229 1.00 8.34 O ATOM 798 CB LEU A 50 1.382 5.859 1.918 1.00 7.13 C ATOM 799 CG LEU A 50 2.051 5.096 3.040 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.740 3.842 2.428 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.050 5.872 3.996 1.00 9.11 C ATOM 0 H LEU A 50 -0.555 6.327 3.492 1.00 6.51 H new ATOM 0 HA LEU A 50 1.765 7.787 2.569 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.556 5.264 1.530 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.094 5.985 1.103 1.00 7.13 H new ATOM 0 HG LEU A 50 1.239 4.854 3.725 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.231 3.274 3.219 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.991 3.216 1.943 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.482 4.156 1.694 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.444 5.185 4.745 1.00 9.11 H new ATOM 0 HD22 LEU A 50 3.873 6.279 3.409 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.521 6.686 4.492 1.00 9.11 H new ATOM 813 N GLU A 51 0.929 8.572 0.224 1.00 9.43 N ATOM 814 CA GLU A 51 0.387 9.414 -0.795 1.00 11.90 C ATOM 815 C GLU A 51 0.850 8.936 -2.144 1.00 11.49 C ATOM 816 O GLU A 51 2.021 8.546 -2.386 1.00 9.88 O ATOM 817 CB GLU A 51 0.689 10.857 -0.631 1.00 16.56 C ATOM 818 CG GLU A 51 -0.184 11.522 0.483 1.00 26.06 C ATOM 819 CD GLU A 51 0.320 12.885 0.830 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.512 13.083 1.187 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.557 13.809 0.862 1.00 33.44 O ATOM 0 H GLU A 51 1.930 8.398 0.135 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.696 9.334 -0.706 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.744 10.980 -0.385 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.521 11.371 -1.577 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -1.218 11.590 0.145 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.181 10.894 1.374 1.00 26.06 H new ATOM 828 N ASP A 52 -0.104 8.986 -3.122 1.00 12.71 N ATOM 829 CA ASP A 52 -0.101 8.259 -4.398 1.00 16.56 C ATOM 830 C ASP A 52 1.172 8.501 -5.201 1.00 15.83 C ATOM 831 O ASP A 52 1.791 7.596 -5.795 1.00 17.21 O ATOM 832 CB ASP A 52 -1.420 8.542 -5.151 1.00 21.05 C ATOM 833 CG ASP A 52 -2.525 8.023 -4.299 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.570 6.779 -4.071 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.335 8.860 -3.869 1.00 28.37 O ATOM 0 H ASP A 52 -0.934 9.571 -3.020 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.074 7.185 -4.212 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.540 9.610 -5.331 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.421 8.053 -6.125 1.00 21.05 H new ATOM 840 N GLY A 53 1.668 9.784 -5.254 1.00 15.00 N ATOM 841 CA GLY A 53 2.808 10.178 -6.089 1.00 11.77 C ATOM 842 C GLY A 53 4.191 9.870 -5.519 1.00 11.10 C ATOM 843 O GLY A 53 5.180 10.149 -6.157 1.00 11.25 O ATOM 0 H GLY A 53 1.275 10.554 -4.713 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.715 9.681 -7.054 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.744 11.250 -6.275 1.00 11.77 H new ATOM 847 N ARG A 54 4.219 9.442 -4.230 1.00 8.53 N ATOM 848 CA ARG A 54 5.456 9.302 -3.594 1.00 9.05 C ATOM 849 C ARG A 54 5.999 7.884 -3.544 1.00 8.96 C ATOM 850 O ARG A 54 5.260 6.979 -3.862 1.00 11.60 O ATOM 851 CB ARG A 54 5.216 9.776 -2.150 1.00 7.97 C ATOM 852 CG ARG A 54 6.502 10.197 -1.381 1.00 9.62 C ATOM 853 CD ARG A 54 7.187 11.497 -1.884 1.00 12.20 C ATOM 854 NE ARG A 54 6.295 12.697 -1.704 1.00 18.23 N ATOM 855 CZ ARG A 54 6.639 13.950 -2.076 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.869 14.221 -2.432 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.764 14.941 -1.990 1.00 23.38 N ATOM 0 H ARG A 54 3.402 9.207 -3.667 1.00 8.53 H new ATOM 0 HA ARG A 54 6.197 9.872 -4.154 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.528 10.621 -2.169 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.724 8.976 -1.597 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.249 10.324 -0.328 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.223 9.381 -1.440 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.120 11.651 -1.341 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.445 11.389 -2.937 1.00 12.20 H new ATOM 0 HE ARG A 54 5.379 12.556 -1.277 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.575 13.484 -2.430 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.122 15.169 -2.712 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.823 14.761 -1.641 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.032 15.884 -2.273 1.00 23.38 H new ATOM 871 N THR A 55 7.272 7.650 -3.345 1.00 9.05 N ATOM 872 CA THR A 55 7.962 6.364 -3.612 1.00 9.03 C ATOM 873 C THR A 55 8.127 5.605 -2.287 1.00 8.15 C ATOM 874 O THR A 55 8.209 6.148 -1.192 1.00 5.91 O ATOM 875 CB THR A 55 9.315 6.485 -4.362 1.00 11.15 C ATOM 876 OG1 THR A 55 10.381 7.042 -3.643 1.00 11.95 O ATOM 877 CG2 THR A 55 9.186 7.263 -5.683 1.00 11.71 C ATOM 0 H THR A 55 7.902 8.364 -2.978 1.00 9.05 H new ATOM 0 HA THR A 55 7.327 5.808 -4.302 1.00 9.03 H new ATOM 0 HB THR A 55 9.562 5.438 -4.537 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.236 8.006 -3.537 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.160 7.319 -6.169 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.482 6.751 -6.339 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.824 8.270 -5.478 1.00 11.71 H new ATOM 885 N LEU A 56 8.364 4.271 -2.361 1.00 6.91 N ATOM 886 CA LEU A 56 8.630 3.408 -1.262 1.00 8.29 C ATOM 887 C LEU A 56 9.883 3.813 -0.535 1.00 8.05 C ATOM 888 O LEU A 56 9.920 3.677 0.692 1.00 10.17 O ATOM 889 CB LEU A 56 8.655 1.992 -1.733 1.00 6.60 C ATOM 890 CG LEU A 56 7.242 1.371 -1.987 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.459 -0.034 -2.546 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.360 1.252 -0.707 1.00 8.64 C ATOM 0 H LEU A 56 8.367 3.776 -3.253 1.00 6.91 H new ATOM 0 HA LEU A 56 7.828 3.496 -0.530 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.233 1.939 -2.656 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.178 1.385 -0.994 1.00 6.60 H new ATOM 0 HG LEU A 56 6.711 2.034 -2.670 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.494 -0.503 -2.737 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.023 0.028 -3.477 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.015 -0.631 -1.824 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.397 0.812 -0.968 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.862 0.618 0.023 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.203 2.243 -0.280 1.00 8.64 H new ATOM 904 N SER A 57 10.958 4.201 -1.211 1.00 8.92 N ATOM 905 CA SER A 57 12.205 4.678 -0.553 1.00 9.00 C ATOM 906 C SER A 57 12.072 5.883 0.363 1.00 9.44 C ATOM 907 O SER A 57 12.696 6.033 1.433 1.00 10.91 O ATOM 908 CB SER A 57 13.377 4.771 -1.592 1.00 10.32 C ATOM 909 OG SER A 57 13.110 5.819 -2.483 1.00 13.59 O ATOM 0 H SER A 57 11.007 4.200 -2.230 1.00 8.92 H new ATOM 0 HA SER A 57 12.463 3.908 0.173 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.323 4.944 -1.079 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.476 3.831 -2.134 1.00 10.32 H new ATOM 0 HG SER A 57 12.141 5.937 -2.569 1.00 13.59 H new ATOM 915 N ASP A 58 11.199 6.849 -0.032 1.00 9.11 N ATOM 916 CA ASP A 58 10.934 8.124 0.716 1.00 7.91 C ATOM 917 C ASP A 58 10.340 7.799 2.114 1.00 9.12 C ATOM 918 O ASP A 58 10.591 8.442 3.112 1.00 8.61 O ATOM 919 CB ASP A 58 9.965 9.020 -0.112 1.00 8.41 C ATOM 920 CG ASP A 58 10.467 9.354 -1.430 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.684 9.553 -1.617 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.685 9.282 -2.436 1.00 11.70 O ATOM 0 H ASP A 58 10.650 6.770 -0.888 1.00 9.11 H new ATOM 0 HA ASP A 58 11.867 8.668 0.862 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.009 8.507 -0.216 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.775 9.941 0.439 1.00 8.41 H new ATOM 927 N TYR A 59 9.536 6.712 2.199 1.00 7.97 N ATOM 928 CA TYR A 59 8.940 6.323 3.498 1.00 8.45 C ATOM 929 C TYR A 59 9.785 5.246 4.236 1.00 10.98 C ATOM 930 O TYR A 59 9.429 4.793 5.313 1.00 12.95 O ATOM 931 CB TYR A 59 7.565 5.660 3.232 1.00 7.94 C ATOM 932 CG TYR A 59 6.579 6.638 2.686 1.00 6.91 C ATOM 933 CD1 TYR A 59 5.984 7.682 3.478 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.138 6.465 1.341 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.013 8.523 2.920 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.147 7.319 0.827 1.00 6.52 C ATOM 937 CZ TYR A 59 4.593 8.342 1.605 1.00 6.76 C ATOM 938 OH TYR A 59 3.651 9.228 1.084 1.00 7.63 O ATOM 0 H TYR A 59 9.292 6.108 1.414 1.00 7.97 H new ATOM 0 HA TYR A 59 8.878 7.227 4.103 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.688 4.836 2.529 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.181 5.234 4.159 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.287 7.817 4.506 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.561 5.686 0.724 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.587 9.318 3.514 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.806 7.183 -0.189 1.00 6.52 H new ATOM 0 HH TYR A 59 4.077 9.800 0.412 1.00 7.63 H new ATOM 948 N ASN A 60 10.915 4.858 3.624 1.00 12.38 N ATOM 949 CA ASN A 60 12.020 4.098 4.192 1.00 13.94 C ATOM 950 C ASN A 60 11.630 2.644 4.269 1.00 14.16 C ATOM 951 O ASN A 60 11.794 2.018 5.263 1.00 14.26 O ATOM 952 CB ASN A 60 12.520 4.596 5.591 1.00 19.23 C ATOM 953 CG ASN A 60 12.759 6.063 5.405 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.554 6.432 4.497 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.178 6.898 6.310 1.00 24.09 N ATOM 0 H ASN A 60 11.085 5.089 2.645 1.00 12.38 H new ATOM 0 HA ASN A 60 12.866 4.249 3.521 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.777 4.410 6.367 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.432 4.081 5.893 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.376 7.898 6.282 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.544 6.523 7.016 1.00 24.09 H new ATOM 962 N ILE A 61 11.092 2.125 3.187 1.00 11.08 N ATOM 963 CA ILE A 61 10.470 0.859 3.188 1.00 11.78 C ATOM 964 C ILE A 61 11.439 -0.088 2.539 1.00 13.74 C ATOM 965 O ILE A 61 11.723 0.142 1.361 1.00 14.60 O ATOM 966 CB ILE A 61 9.129 0.923 2.472 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.186 1.790 3.423 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.521 -0.539 2.408 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.883 2.147 2.662 1.00 11.42 C ATOM 0 H ILE A 61 11.085 2.592 2.280 1.00 11.08 H new ATOM 0 HA ILE A 61 10.242 0.514 4.196 1.00 11.78 H new ATOM 0 HB ILE A 61 9.220 1.335 1.467 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.951 1.231 4.329 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.700 2.699 3.734 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.559 -0.511 1.897 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.202 -1.193 1.863 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.384 -0.921 3.420 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.235 2.740 3.308 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.129 2.722 1.769 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.368 1.231 2.373 1.00 11.42 H new ATOM 981 N GLN A 62 11.869 -1.149 3.173 1.00 13.97 N ATOM 982 CA GLN A 62 12.860 -2.029 2.776 1.00 15.52 C ATOM 983 C GLN A 62 12.340 -3.436 2.650 1.00 13.94 C ATOM 984 O GLN A 62 11.214 -3.717 2.977 1.00 12.15 O ATOM 985 CB GLN A 62 13.983 -2.060 3.871 1.00 19.53 C ATOM 986 CG GLN A 62 13.427 -2.096 5.329 1.00 26.38 C ATOM 987 CD GLN A 62 14.567 -2.087 6.377 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.925 -3.053 7.016 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.060 -0.893 6.704 1.00 32.71 N ATOM 0 H GLN A 62 11.470 -1.417 4.072 1.00 13.97 H new ATOM 0 HA GLN A 62 13.231 -1.688 1.810 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.614 -2.934 3.709 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.618 -1.182 3.754 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.776 -1.237 5.492 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.816 -2.989 5.464 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.776 -0.064 6.183 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.722 -0.808 7.476 1.00 32.71 H new ATOM 998 N LYS A 63 13.178 -4.369 2.211 1.00 11.73 N ATOM 999 CA LYS A 63 12.658 -5.730 2.037 1.00 11.97 C ATOM 1000 C LYS A 63 12.069 -6.390 3.271 1.00 10.41 C ATOM 1001 O LYS A 63 12.504 -6.232 4.432 1.00 9.59 O ATOM 1002 CB LYS A 63 13.748 -6.757 1.561 1.00 13.73 C ATOM 1003 CG LYS A 63 14.982 -6.758 2.437 1.00 16.98 C ATOM 1004 CD LYS A 63 16.217 -7.507 1.812 1.00 20.19 C ATOM 1005 CE LYS A 63 17.348 -7.561 2.823 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.608 -7.841 2.061 1.00 25.97 N ATOM 0 H LYS A 63 14.162 -4.229 1.980 1.00 11.73 H new ATOM 0 HA LYS A 63 11.881 -5.541 1.297 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.316 -7.758 1.550 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.037 -6.523 0.536 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.265 -5.727 2.647 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.735 -7.222 3.392 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.931 -8.517 1.517 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.547 -6.993 0.909 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.427 -6.618 3.364 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.165 -8.339 3.564 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.410 -7.886 2.721 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.518 -8.750 1.563 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.771 -7.082 1.369 1.00 25.97 H new ATOM 1020 N GLU A 64 10.967 -7.116 3.040 1.00 10.04 N ATOM 1021 CA GLU A 64 10.209 -7.957 3.946 1.00 10.94 C ATOM 1022 C GLU A 64 9.590 -7.090 5.051 1.00 9.74 C ATOM 1023 O GLU A 64 9.088 -7.538 6.041 1.00 9.42 O ATOM 1024 CB GLU A 64 10.999 -9.129 4.539 1.00 18.31 C ATOM 1025 CG GLU A 64 11.113 -10.168 3.418 1.00 24.16 C ATOM 1026 CD GLU A 64 11.809 -11.437 3.828 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.097 -12.369 4.307 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.034 -11.544 3.688 1.00 32.61 O ATOM 0 H GLU A 64 10.548 -7.121 2.110 1.00 10.04 H new ATOM 0 HA GLU A 64 9.425 -8.426 3.351 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.985 -8.806 4.874 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.488 -9.545 5.407 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.113 -10.413 3.061 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.651 -9.725 2.580 1.00 24.16 H new ATOM 1035 N SER A 65 9.483 -5.735 4.821 1.00 6.85 N ATOM 1036 CA SER A 65 8.542 -4.844 5.481 1.00 6.90 C ATOM 1037 C SER A 65 7.064 -5.212 5.322 1.00 4.72 C ATOM 1038 O SER A 65 6.621 -5.898 4.378 1.00 3.91 O ATOM 1039 CB SER A 65 8.745 -3.429 5.004 1.00 7.28 C ATOM 1040 OG SER A 65 10.122 -3.098 5.266 1.00 10.56 O ATOM 0 H SER A 65 10.078 -5.251 4.149 1.00 6.85 H new ATOM 0 HA SER A 65 8.765 -4.948 6.543 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.522 -3.343 3.941 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.076 -2.745 5.526 1.00 7.28 H new ATOM 0 HG SER A 65 10.647 -3.212 4.447 1.00 10.56 H new ATOM 1046 N THR A 66 6.325 -4.871 6.345 1.00 4.48 N ATOM 1047 CA THR A 66 4.886 -5.129 6.467 1.00 3.80 C ATOM 1048 C THR A 66 4.190 -3.785 6.327 1.00 4.60 C ATOM 1049 O THR A 66 4.424 -2.877 7.070 1.00 5.33 O ATOM 1050 CB THR A 66 4.560 -5.659 7.823 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.178 -6.914 8.027 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.058 -5.937 7.950 1.00 3.40 C ATOM 0 H THR A 66 6.710 -4.386 7.156 1.00 4.48 H new ATOM 0 HA THR A 66 4.573 -5.852 5.714 1.00 3.80 H new ATOM 0 HB THR A 66 4.900 -4.910 8.538 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.955 -7.247 8.922 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.842 -6.323 8.946 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.502 -5.013 7.790 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.760 -6.673 7.204 1.00 3.40 H new ATOM 1060 N LEU A 67 3.262 -3.696 5.409 1.00 4.17 N ATOM 1061 CA LEU A 67 2.499 -2.487 5.141 1.00 3.85 C ATOM 1062 C LEU A 67 1.078 -2.654 5.685 1.00 3.80 C ATOM 1063 O LEU A 67 0.522 -3.776 5.586 1.00 5.54 O ATOM 1064 CB LEU A 67 2.506 -2.069 3.599 1.00 7.18 C ATOM 1065 CG LEU A 67 3.690 -1.169 3.167 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.117 -1.804 3.261 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.553 -0.417 1.843 1.00 11.66 C ATOM 0 H LEU A 67 3.004 -4.478 4.808 1.00 4.17 H new ATOM 0 HA LEU A 67 2.985 -1.661 5.659 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.519 -2.975 2.993 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.574 -1.549 3.375 1.00 7.18 H new ATOM 0 HG LEU A 67 3.603 -0.425 3.959 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.861 -1.078 2.932 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.321 -2.090 4.293 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.165 -2.687 2.623 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.452 0.173 1.665 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.421 -1.132 1.031 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.688 0.245 1.888 1.00 11.66 H new ATOM 1079 N HIS A 68 0.421 -1.551 6.064 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.931 -1.697 6.454 1.00 4.17 C ATOM 1081 C HIS A 68 -1.932 -0.951 5.582 1.00 5.32 C ATOM 1082 O HIS A 68 -1.558 -0.043 4.860 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.158 -1.295 7.908 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.785 -2.302 8.911 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.531 -2.389 9.432 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.506 -3.192 9.633 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.539 -3.343 10.300 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.627 -3.852 10.527 1.00 16.30 N ATOM 0 H HIS A 68 0.804 -0.606 6.099 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.117 -2.763 6.324 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.593 -0.384 8.107 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.212 -1.051 8.039 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.568 -3.368 9.543 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.438 -3.685 10.792 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.864 -4.575 11.206 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.255 -1.394 5.555 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.223 -1.063 4.544 1.00 3.97 C ATOM 1098 C LEU A 69 -5.580 -0.786 5.218 1.00 5.07 C ATOM 1099 O LEU A 69 -6.151 -1.634 5.935 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.360 -2.215 3.445 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.517 -2.192 2.474 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.651 -0.926 1.615 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.345 -3.364 1.446 1.00 9.96 C ATOM 0 H LEU A 69 -3.636 -2.004 6.278 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.883 -0.170 4.020 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.442 -2.215 2.857 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.399 -3.167 3.975 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.397 -2.261 3.113 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.515 -1.022 0.957 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.783 -0.059 2.263 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.750 -0.797 1.015 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.176 -3.355 0.741 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.408 -3.238 0.904 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.331 -4.315 1.978 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.159 0.406 4.979 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.411 0.870 5.493 1.00 6.26 C ATOM 1117 C VAL A 70 -8.283 1.391 4.300 1.00 9.22 C ATOM 1118 O VAL A 70 -7.725 1.803 3.309 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.407 1.965 6.556 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.893 1.394 7.843 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.634 3.202 6.053 1.00 8.54 C ATOM 0 H VAL A 70 -5.714 1.099 4.378 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.800 -0.009 6.007 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.418 2.322 6.753 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.887 2.170 8.608 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.538 0.575 8.161 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.879 1.021 7.696 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.641 3.973 6.823 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.605 2.922 5.829 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.110 3.586 5.151 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.646 1.376 4.438 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.481 1.663 3.337 1.00 16.06 C ATOM 1133 C LEU A 71 -11.345 2.948 3.575 1.00 18.09 C ATOM 1134 O LEU A 71 -12.170 2.989 4.520 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.432 0.513 3.139 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.746 -0.840 2.734 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.828 -1.910 2.651 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.921 -0.664 1.452 1.00 19.57 C ATOM 0 H LEU A 71 -10.137 1.166 5.307 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.840 1.822 2.470 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.993 0.359 4.061 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.154 0.784 2.369 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.024 -1.165 3.483 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.377 -2.862 2.371 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.315 -2.011 3.621 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.566 -1.624 1.902 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.453 -1.612 1.187 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.574 -0.342 0.641 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.149 0.088 1.616 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.093 3.957 2.786 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.470 5.243 3.052 1.00 25.83 C ATOM 1152 C ARG A 72 -13.019 5.436 3.146 1.00 27.74 C ATOM 1153 O ARG A 72 -13.761 4.972 2.329 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.917 6.164 1.928 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.202 7.656 2.204 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.430 8.594 1.243 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.888 10.008 1.627 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.379 11.063 0.914 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.827 10.831 -0.251 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.370 12.337 1.402 1.00 35.02 N ATOM 0 H ARG A 72 -10.591 3.857 1.904 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.061 5.500 4.029 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.842 6.013 1.833 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.364 5.881 0.975 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.272 7.842 2.107 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.929 7.891 3.233 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.352 8.481 1.361 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.662 8.372 0.201 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.550 10.158 2.388 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.781 9.879 -0.613 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.443 11.603 -0.796 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.751 12.531 2.328 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.982 13.095 0.841 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.497 6.229 4.099 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.784 6.825 3.980 1.00 30.76 C ATOM 1176 C LEU A 73 -14.522 8.291 3.960 1.00 32.18 C ATOM 1177 O LEU A 73 -13.788 8.788 4.786 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.603 6.392 5.222 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.911 4.851 5.269 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.615 4.628 6.691 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.766 4.386 4.049 1.00 29.11 C ATOM 0 H LEU A 73 -12.997 6.462 4.957 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.346 6.534 3.092 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.056 6.672 6.123 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.544 6.942 5.236 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.015 4.236 5.183 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.867 3.574 6.811 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.934 4.931 7.486 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.524 5.227 6.745 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.954 3.315 4.124 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.715 4.922 4.045 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.227 4.596 3.125 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.050 9.054 2.995 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.818 10.439 2.799 1.00 35.33 C ATOM 1195 C ARG A 74 -15.230 11.320 3.935 1.00 36.22 C ATOM 1196 O ARG A 74 -14.615 12.356 4.110 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.550 10.883 1.556 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.458 12.373 1.094 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.028 12.843 0.726 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.677 12.302 -0.620 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.776 12.731 -1.499 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.017 13.817 -1.283 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.601 12.021 -2.587 1.00 41.93 N ATOM 0 H ARG A 74 -15.689 8.668 2.299 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.737 10.548 2.712 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.197 10.264 0.731 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.605 10.651 1.699 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.107 12.513 0.229 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.844 13.011 1.889 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.978 13.932 0.720 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.313 12.495 1.471 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.208 11.480 -0.909 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.120 14.347 -0.418 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.337 14.112 -1.984 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.147 11.172 -2.735 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.919 12.317 -3.285 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.244 10.969 4.756 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.713 11.703 5.876 1.00 36.07 C ATOM 1219 C GLY A 75 -15.970 11.458 7.177 1.00 36.16 C ATOM 1220 O GLY A 75 -16.035 12.256 8.136 1.00 36.26 O ATOM 0 H GLY A 75 -16.768 10.105 4.616 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.657 12.766 5.641 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.766 11.465 6.029 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.162 10.409 7.278 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.446 9.844 8.422 1.00 36.19 C ATOM 1226 C GLY A 76 -12.985 9.899 8.110 1.00 36.20 C ATOM 1227 O GLY A 76 -12.354 11.018 8.125 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.316 8.858 7.918 1.00 0.00 O ATOM 0 H GLY A 76 -14.966 9.857 6.443 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.666 10.408 9.328 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.761 8.816 8.602 1.00 36.19 H new TER 1232 GLY A 76