USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 561 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 41 SER OG : rot -160:sc= -0.143 USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 24 ASN : amide:sc= 1.29 K(o=1.3,f=-5.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0391) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 3 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.012) USER MOD Single : A 4 HIS : no HD1:sc= 1.19 K(o=1.2,f=-5.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -72:sc= 0.582 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.13) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.011 USER MOD Single : A 32 HIS : no HE2:sc= 1.03 K(o=1,f=-4.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.77! C(o=-2.8!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 172:sc= -1.83! USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 40:sc= 0.331! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc=-0.00532 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.751 4.099 14.596 1.00 0.00 N ATOM 2 CA MET A 1 12.885 3.901 13.138 1.00 0.00 C ATOM 3 C MET A 1 12.247 5.049 12.375 1.00 0.00 C ATOM 4 O MET A 1 11.041 5.281 12.486 1.00 0.00 O ATOM 5 CB MET A 1 12.219 2.593 12.707 1.00 0.00 C ATOM 6 CG MET A 1 12.945 1.336 13.164 1.00 0.00 C ATOM 7 SD MET A 1 14.535 1.114 12.345 1.00 0.00 S ATOM 8 CE MET A 1 14.996 -0.506 12.959 1.00 0.00 C ATOM 0 H1 MET A 1 13.281 3.358 15.097 1.00 0.00 H new ATOM 0 H2 MET A 1 13.131 5.032 14.856 1.00 0.00 H new ATOM 0 H3 MET A 1 11.747 4.047 14.863 1.00 0.00 H new ATOM 0 HA MET A 1 13.950 3.862 12.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.201 2.572 13.097 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.144 2.579 11.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.100 1.382 14.242 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.316 0.467 12.969 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.962 -0.791 12.543 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.063 -0.477 14.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.243 -1.236 12.661 1.00 0.00 H new ATOM 20 N THR A 2 13.059 5.768 11.615 1.00 0.00 N ATOM 21 CA THR A 2 12.554 6.800 10.720 1.00 0.00 C ATOM 22 C THR A 2 11.827 6.143 9.555 1.00 0.00 C ATOM 23 O THR A 2 10.767 6.596 9.113 1.00 0.00 O ATOM 24 CB THR A 2 13.703 7.679 10.189 1.00 0.00 C ATOM 25 OG1 THR A 2 14.753 6.848 9.671 1.00 0.00 O ATOM 26 CG2 THR A 2 14.253 8.575 11.291 1.00 0.00 C ATOM 0 H THR A 2 14.073 5.656 11.600 1.00 0.00 H new ATOM 0 HA THR A 2 11.866 7.438 11.275 1.00 0.00 H new ATOM 0 HB THR A 2 13.312 8.311 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.480 7.412 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.063 9.186 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.459 9.222 11.664 1.00 0.00 H new ATOM 0 HG23 THR A 2 14.631 7.958 12.107 1.00 0.00 H new ATOM 34 N HIS A 3 12.417 5.064 9.072 1.00 0.00 N ATOM 35 CA HIS A 3 11.777 4.209 8.091 1.00 0.00 C ATOM 36 C HIS A 3 11.476 2.857 8.720 1.00 0.00 C ATOM 37 O HIS A 3 12.334 2.254 9.363 1.00 0.00 O ATOM 38 CB HIS A 3 12.634 4.052 6.818 1.00 0.00 C ATOM 39 CG HIS A 3 14.031 3.540 7.039 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.145 4.343 6.926 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.497 2.300 7.334 1.00 0.00 C ATOM 42 CE1 HIS A 3 16.229 3.622 7.140 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.865 2.381 7.392 1.00 0.00 N ATOM 0 H HIS A 3 13.350 4.757 9.348 1.00 0.00 H new ATOM 0 HA HIS A 3 10.843 4.678 7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.120 3.374 6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.695 5.020 6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.901 1.414 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.245 3.988 7.113 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.497 1.607 7.597 1.00 0.00 H new ATOM 52 N HIS A 4 10.248 2.410 8.560 1.00 0.00 N ATOM 53 CA HIS A 4 9.818 1.139 9.105 1.00 0.00 C ATOM 54 C HIS A 4 9.863 0.072 8.025 1.00 0.00 C ATOM 55 O HIS A 4 9.159 0.172 7.019 1.00 0.00 O ATOM 56 CB HIS A 4 8.390 1.249 9.652 1.00 0.00 C ATOM 57 CG HIS A 4 7.883 0.002 10.300 1.00 0.00 C ATOM 58 ND1 HIS A 4 8.258 -0.420 11.557 1.00 0.00 N ATOM 59 CD2 HIS A 4 7.017 -0.910 9.843 1.00 0.00 C ATOM 60 CE1 HIS A 4 7.642 -1.551 11.838 1.00 0.00 C ATOM 61 NE2 HIS A 4 6.879 -1.873 10.811 1.00 0.00 N ATOM 0 H HIS A 4 9.522 2.915 8.051 1.00 0.00 H new ATOM 0 HA HIS A 4 10.491 0.864 9.918 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.353 2.062 10.377 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.720 1.519 8.835 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.517 -0.892 8.886 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.744 -2.117 12.752 1.00 0.00 H new ATOM 0 HE2 HIS A 4 6.285 -2.700 10.747 1.00 0.00 H new ATOM 70 N THR A 5 10.689 -0.936 8.234 1.00 0.00 N ATOM 71 CA THR A 5 10.740 -2.075 7.335 1.00 0.00 C ATOM 72 C THR A 5 9.855 -3.189 7.885 1.00 0.00 C ATOM 73 O THR A 5 9.856 -3.451 9.088 1.00 0.00 O ATOM 74 CB THR A 5 12.179 -2.598 7.177 1.00 0.00 C ATOM 75 OG1 THR A 5 13.109 -1.509 7.301 1.00 0.00 O ATOM 76 CG2 THR A 5 12.364 -3.275 5.825 1.00 0.00 C ATOM 0 H THR A 5 11.336 -0.990 9.021 1.00 0.00 H new ATOM 0 HA THR A 5 10.383 -1.756 6.356 1.00 0.00 H new ATOM 0 HB THR A 5 12.366 -3.331 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.024 -1.847 7.201 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.388 -3.636 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.674 -4.115 5.741 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.162 -2.559 5.029 1.00 0.00 H new ATOM 84 N GLU A 6 9.093 -3.824 7.014 1.00 0.00 N ATOM 85 CA GLU A 6 8.162 -4.864 7.430 1.00 0.00 C ATOM 86 C GLU A 6 8.042 -5.917 6.335 1.00 0.00 C ATOM 87 O GLU A 6 8.276 -5.629 5.166 1.00 0.00 O ATOM 88 CB GLU A 6 6.789 -4.247 7.714 1.00 0.00 C ATOM 89 CG GLU A 6 5.882 -5.118 8.566 1.00 0.00 C ATOM 90 CD GLU A 6 6.372 -5.221 9.994 1.00 0.00 C ATOM 91 OE1 GLU A 6 6.030 -4.339 10.802 1.00 0.00 O ATOM 92 OE2 GLU A 6 7.114 -6.174 10.308 1.00 0.00 O ATOM 0 H GLU A 6 9.098 -3.639 6.011 1.00 0.00 H new ATOM 0 HA GLU A 6 8.535 -5.337 8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.930 -3.289 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.292 -4.042 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.873 -4.707 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.823 -6.115 8.130 1.00 0.00 H new ATOM 99 N VAL A 7 7.698 -7.140 6.714 1.00 0.00 N ATOM 100 CA VAL A 7 7.470 -8.198 5.744 1.00 0.00 C ATOM 101 C VAL A 7 6.065 -8.763 5.900 1.00 0.00 C ATOM 102 O VAL A 7 5.741 -9.379 6.915 1.00 0.00 O ATOM 103 CB VAL A 7 8.502 -9.342 5.880 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.189 -10.470 4.906 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.912 -8.820 5.652 1.00 0.00 C ATOM 0 H VAL A 7 7.571 -7.422 7.686 1.00 0.00 H new ATOM 0 HA VAL A 7 7.584 -7.756 4.754 1.00 0.00 H new ATOM 0 HB VAL A 7 8.439 -9.737 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.927 -11.264 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.195 -10.866 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.220 -10.088 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.624 -9.639 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.985 -8.396 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.139 -8.050 6.390 1.00 0.00 H new ATOM 115 N PHE A 8 5.231 -8.548 4.896 1.00 0.00 N ATOM 116 CA PHE A 8 3.864 -9.044 4.930 1.00 0.00 C ATOM 117 C PHE A 8 3.685 -10.155 3.907 1.00 0.00 C ATOM 118 O PHE A 8 3.673 -9.896 2.704 1.00 0.00 O ATOM 119 CB PHE A 8 2.869 -7.913 4.643 1.00 0.00 C ATOM 120 CG PHE A 8 1.430 -8.340 4.742 1.00 0.00 C ATOM 121 CD1 PHE A 8 0.838 -8.540 5.977 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.673 -8.540 3.600 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.482 -8.936 6.072 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.647 -8.935 3.687 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.227 -9.133 4.925 1.00 0.00 C ATOM 0 H PHE A 8 5.475 -8.035 4.049 1.00 0.00 H new ATOM 0 HA PHE A 8 3.668 -9.437 5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.047 -7.097 5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.055 -7.521 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.415 -8.385 6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.121 -8.385 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.931 -9.091 7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.226 -9.089 2.788 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.260 -9.441 4.996 1.00 0.00 H new ATOM 135 N GLU A 9 3.574 -11.390 4.396 1.00 0.00 N ATOM 136 CA GLU A 9 3.309 -12.558 3.549 1.00 0.00 C ATOM 137 C GLU A 9 4.362 -12.710 2.447 1.00 0.00 C ATOM 138 O GLU A 9 4.107 -13.336 1.414 1.00 0.00 O ATOM 139 CB GLU A 9 1.906 -12.458 2.939 1.00 0.00 C ATOM 140 CG GLU A 9 0.795 -12.311 3.974 1.00 0.00 C ATOM 141 CD GLU A 9 0.741 -13.469 4.953 1.00 0.00 C ATOM 142 OE1 GLU A 9 1.501 -13.455 5.943 1.00 0.00 O ATOM 143 OE2 GLU A 9 -0.066 -14.399 4.734 1.00 0.00 O ATOM 0 H GLU A 9 3.665 -11.611 5.388 1.00 0.00 H new ATOM 0 HA GLU A 9 3.364 -13.446 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.874 -11.605 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.716 -13.348 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.940 -11.382 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.164 -12.231 3.461 1.00 0.00 H new ATOM 150 N GLY A 10 5.546 -12.154 2.680 1.00 0.00 N ATOM 151 CA GLY A 10 6.611 -12.234 1.699 1.00 0.00 C ATOM 152 C GLY A 10 6.938 -10.887 1.081 1.00 0.00 C ATOM 153 O GLY A 10 8.011 -10.707 0.505 1.00 0.00 O ATOM 0 H GLY A 10 5.787 -11.649 3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.506 -12.639 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.323 -12.931 0.912 1.00 0.00 H new ATOM 157 N GLY A 11 6.022 -9.939 1.212 1.00 0.00 N ATOM 158 CA GLY A 11 6.222 -8.629 0.624 1.00 0.00 C ATOM 159 C GLY A 11 6.989 -7.702 1.542 1.00 0.00 C ATOM 160 O GLY A 11 6.883 -7.801 2.764 1.00 0.00 O ATOM 0 H GLY A 11 5.142 -10.053 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.761 -8.734 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.254 -8.186 0.389 1.00 0.00 H new ATOM 164 N THR A 12 7.752 -6.792 0.956 1.00 0.00 N ATOM 165 CA THR A 12 8.586 -5.880 1.722 1.00 0.00 C ATOM 166 C THR A 12 7.931 -4.504 1.839 1.00 0.00 C ATOM 167 O THR A 12 7.719 -3.815 0.843 1.00 0.00 O ATOM 168 CB THR A 12 9.978 -5.744 1.075 1.00 0.00 C ATOM 169 OG1 THR A 12 10.533 -7.049 0.858 1.00 0.00 O ATOM 170 CG2 THR A 12 10.919 -4.939 1.959 1.00 0.00 C ATOM 0 H THR A 12 7.810 -6.666 -0.054 1.00 0.00 H new ATOM 0 HA THR A 12 8.700 -6.296 2.723 1.00 0.00 H new ATOM 0 HB THR A 12 9.864 -5.220 0.126 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.418 -6.964 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.893 -4.860 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.509 -3.941 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.030 -5.438 2.921 1.00 0.00 H new ATOM 178 N ILE A 13 7.610 -4.120 3.065 1.00 0.00 N ATOM 179 CA ILE A 13 6.977 -2.837 3.330 1.00 0.00 C ATOM 180 C ILE A 13 8.011 -1.816 3.787 1.00 0.00 C ATOM 181 O ILE A 13 8.699 -2.026 4.790 1.00 0.00 O ATOM 182 CB ILE A 13 5.881 -2.966 4.415 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.803 -3.961 3.982 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.262 -1.609 4.719 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.723 -4.183 5.022 1.00 0.00 C ATOM 0 H ILE A 13 7.779 -4.684 3.898 1.00 0.00 H new ATOM 0 HA ILE A 13 6.517 -2.502 2.400 1.00 0.00 H new ATOM 0 HB ILE A 13 6.349 -3.342 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.341 -3.604 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.275 -4.916 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.494 -1.723 5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.034 -0.929 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.814 -1.202 3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.995 -4.900 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.172 -4.571 5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.224 -3.238 5.236 1.00 0.00 H new ATOM 197 N ASP A 14 8.118 -0.721 3.050 1.00 0.00 N ATOM 198 CA ASP A 14 9.037 0.354 3.392 1.00 0.00 C ATOM 199 C ASP A 14 8.253 1.622 3.711 1.00 0.00 C ATOM 200 O ASP A 14 7.760 2.301 2.807 1.00 0.00 O ATOM 201 CB ASP A 14 10.000 0.638 2.234 1.00 0.00 C ATOM 202 CG ASP A 14 10.795 -0.576 1.794 1.00 0.00 C ATOM 203 OD1 ASP A 14 11.798 -0.905 2.459 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.439 -1.187 0.760 1.00 0.00 O ATOM 0 H ASP A 14 7.574 -0.553 2.204 1.00 0.00 H new ATOM 0 HA ASP A 14 9.614 0.044 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.432 1.017 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.691 1.426 2.532 1.00 0.00 H new ATOM 209 N ILE A 15 8.133 1.941 4.990 1.00 0.00 N ATOM 210 CA ILE A 15 7.360 3.102 5.412 1.00 0.00 C ATOM 211 C ILE A 15 8.275 4.197 5.942 1.00 0.00 C ATOM 212 O ILE A 15 8.988 4.000 6.918 1.00 0.00 O ATOM 213 CB ILE A 15 6.337 2.733 6.512 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.395 1.629 6.023 1.00 0.00 C ATOM 215 CG2 ILE A 15 5.540 3.960 6.935 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.390 1.180 7.063 1.00 0.00 C ATOM 0 H ILE A 15 8.559 1.415 5.753 1.00 0.00 H new ATOM 0 HA ILE A 15 6.824 3.462 4.534 1.00 0.00 H new ATOM 0 HB ILE A 15 6.886 2.361 7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.859 1.985 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.988 0.770 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.826 3.681 7.709 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.219 4.718 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.004 4.360 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.758 0.397 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.917 0.793 7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.770 2.026 7.360 1.00 0.00 H new ATOM 228 N GLU A 16 8.238 5.354 5.305 1.00 0.00 N ATOM 229 CA GLU A 16 9.048 6.484 5.723 1.00 0.00 C ATOM 230 C GLU A 16 8.179 7.593 6.282 1.00 0.00 C ATOM 231 O GLU A 16 7.254 8.055 5.614 1.00 0.00 O ATOM 232 CB GLU A 16 9.863 7.020 4.553 1.00 0.00 C ATOM 233 CG GLU A 16 11.038 6.139 4.178 1.00 0.00 C ATOM 234 CD GLU A 16 11.907 6.751 3.100 1.00 0.00 C ATOM 235 OE1 GLU A 16 11.509 6.719 1.918 1.00 0.00 O ATOM 236 OE2 GLU A 16 12.992 7.273 3.432 1.00 0.00 O ATOM 0 H GLU A 16 7.651 5.536 4.491 1.00 0.00 H new ATOM 0 HA GLU A 16 9.725 6.137 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.211 7.130 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.231 8.015 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.644 5.952 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.668 5.173 3.835 1.00 0.00 H new ATOM 243 N ASP A 17 8.461 7.990 7.520 1.00 0.00 N ATOM 244 CA ASP A 17 7.772 9.112 8.159 1.00 0.00 C ATOM 245 C ASP A 17 6.260 8.862 8.206 1.00 0.00 C ATOM 246 O ASP A 17 5.467 9.797 8.305 1.00 0.00 O ATOM 247 CB ASP A 17 8.087 10.414 7.401 1.00 0.00 C ATOM 248 CG ASP A 17 7.633 11.666 8.131 1.00 0.00 C ATOM 249 OD1 ASP A 17 8.085 11.893 9.272 1.00 0.00 O ATOM 250 OD2 ASP A 17 6.859 12.455 7.549 1.00 0.00 O ATOM 0 H ASP A 17 9.168 7.548 8.107 1.00 0.00 H new ATOM 0 HA ASP A 17 8.127 9.208 9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.162 10.473 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.608 10.380 6.422 1.00 0.00 H new ATOM 255 N ASP A 18 5.888 7.577 8.136 1.00 0.00 N ATOM 256 CA ASP A 18 4.488 7.119 8.053 1.00 0.00 C ATOM 257 C ASP A 18 3.665 7.928 7.045 1.00 0.00 C ATOM 258 O ASP A 18 2.445 8.042 7.161 1.00 0.00 O ATOM 259 CB ASP A 18 3.796 7.066 9.436 1.00 0.00 C ATOM 260 CG ASP A 18 3.717 8.392 10.172 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.647 8.694 10.956 1.00 0.00 O ATOM 262 OD2 ASP A 18 2.712 9.120 10.013 1.00 0.00 O ATOM 0 H ASP A 18 6.561 6.810 8.135 1.00 0.00 H new ATOM 0 HA ASP A 18 4.533 6.095 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.785 6.682 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.329 6.352 10.064 1.00 0.00 H new ATOM 267 N THR A 19 4.344 8.434 6.021 1.00 0.00 N ATOM 268 CA THR A 19 3.703 9.174 4.944 1.00 0.00 C ATOM 269 C THR A 19 4.288 8.744 3.601 1.00 0.00 C ATOM 270 O THR A 19 3.562 8.366 2.681 1.00 0.00 O ATOM 271 CB THR A 19 3.885 10.692 5.135 1.00 0.00 C ATOM 272 OG1 THR A 19 5.211 10.966 5.611 1.00 0.00 O ATOM 273 CG2 THR A 19 2.858 11.251 6.111 1.00 0.00 C ATOM 0 H THR A 19 5.354 8.342 5.916 1.00 0.00 H new ATOM 0 HA THR A 19 2.636 8.953 4.962 1.00 0.00 H new ATOM 0 HB THR A 19 3.736 11.178 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.291 10.673 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.011 12.324 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.854 11.067 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.972 10.763 7.079 1.00 0.00 H new ATOM 281 N SER A 20 5.611 8.800 3.510 1.00 0.00 N ATOM 282 CA SER A 20 6.339 8.280 2.362 1.00 0.00 C ATOM 283 C SER A 20 6.213 6.757 2.317 1.00 0.00 C ATOM 284 O SER A 20 6.676 6.064 3.225 1.00 0.00 O ATOM 285 CB SER A 20 7.811 8.700 2.467 1.00 0.00 C ATOM 286 OG SER A 20 7.963 10.088 2.208 1.00 0.00 O ATOM 0 H SER A 20 6.208 9.207 4.230 1.00 0.00 H new ATOM 0 HA SER A 20 5.920 8.686 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.189 8.469 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.408 8.126 1.758 1.00 0.00 H new ATOM 0 HG SER A 20 8.909 10.333 2.282 1.00 0.00 H new ATOM 292 N LEU A 21 5.575 6.234 1.282 1.00 0.00 N ATOM 293 CA LEU A 21 5.292 4.808 1.228 1.00 0.00 C ATOM 294 C LEU A 21 5.936 4.148 0.014 1.00 0.00 C ATOM 295 O LEU A 21 5.751 4.584 -1.126 1.00 0.00 O ATOM 296 CB LEU A 21 3.782 4.573 1.206 1.00 0.00 C ATOM 297 CG LEU A 21 3.275 3.432 2.096 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.947 2.109 1.749 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.485 3.768 3.566 1.00 0.00 C ATOM 0 H LEU A 21 5.247 6.767 0.477 1.00 0.00 H new ATOM 0 HA LEU A 21 5.720 4.354 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.285 5.494 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.479 4.370 0.179 1.00 0.00 H new ATOM 0 HG LEU A 21 2.207 3.318 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.563 1.324 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.735 1.855 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.024 2.201 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.119 2.947 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.547 3.920 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.939 4.678 3.813 1.00 0.00 H new ATOM 311 N THR A 22 6.693 3.100 0.274 1.00 0.00 N ATOM 312 CA THR A 22 7.283 2.289 -0.775 1.00 0.00 C ATOM 313 C THR A 22 7.126 0.806 -0.441 1.00 0.00 C ATOM 314 O THR A 22 7.209 0.419 0.720 1.00 0.00 O ATOM 315 CB THR A 22 8.773 2.636 -0.970 1.00 0.00 C ATOM 316 OG1 THR A 22 9.354 3.007 0.290 1.00 0.00 O ATOM 317 CG2 THR A 22 8.943 3.771 -1.972 1.00 0.00 C ATOM 0 H THR A 22 6.917 2.786 1.218 1.00 0.00 H new ATOM 0 HA THR A 22 6.760 2.502 -1.707 1.00 0.00 H new ATOM 0 HB THR A 22 9.282 1.755 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.301 3.225 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.003 3.996 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.525 3.473 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.423 4.657 -1.609 1.00 0.00 H new ATOM 325 N ILE A 23 6.858 -0.018 -1.441 1.00 0.00 N ATOM 326 CA ILE A 23 6.770 -1.458 -1.226 1.00 0.00 C ATOM 327 C ILE A 23 7.670 -2.188 -2.210 1.00 0.00 C ATOM 328 O ILE A 23 7.500 -2.066 -3.424 1.00 0.00 O ATOM 329 CB ILE A 23 5.316 -1.980 -1.341 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.472 -1.470 -0.163 1.00 0.00 C ATOM 331 CG2 ILE A 23 5.289 -3.506 -1.398 1.00 0.00 C ATOM 332 CD1 ILE A 23 3.029 -1.933 -0.197 1.00 0.00 C ATOM 0 H ILE A 23 6.698 0.280 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 23 7.105 -1.657 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 23 4.887 -1.599 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.928 -1.803 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.494 -0.380 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.257 -3.849 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.854 -3.848 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.736 -3.912 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.498 -1.532 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.554 -1.578 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.996 -3.022 -0.170 1.00 0.00 H new ATOM 344 N ASN A 24 8.650 -2.916 -1.676 1.00 0.00 N ATOM 345 CA ASN A 24 9.608 -3.669 -2.489 1.00 0.00 C ATOM 346 C ASN A 24 10.354 -2.774 -3.478 1.00 0.00 C ATOM 347 O ASN A 24 10.904 -3.258 -4.468 1.00 0.00 O ATOM 348 CB ASN A 24 8.917 -4.819 -3.233 1.00 0.00 C ATOM 349 CG ASN A 24 8.707 -6.040 -2.360 1.00 0.00 C ATOM 350 OD1 ASN A 24 7.687 -6.182 -1.690 1.00 0.00 O ATOM 351 ND2 ASN A 24 9.674 -6.943 -2.371 1.00 0.00 N ATOM 0 H ASN A 24 8.803 -3.001 -0.671 1.00 0.00 H new ATOM 0 HA ASN A 24 10.343 -4.086 -1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.953 -4.476 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.516 -5.097 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.586 -7.791 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.507 -6.791 -2.940 1.00 0.00 H new ATOM 358 N GLY A 25 10.386 -1.475 -3.200 1.00 0.00 N ATOM 359 CA GLY A 25 11.158 -0.567 -4.024 1.00 0.00 C ATOM 360 C GLY A 25 10.312 0.282 -4.954 1.00 0.00 C ATOM 361 O GLY A 25 10.840 1.162 -5.636 1.00 0.00 O ATOM 0 H GLY A 25 9.893 -1.037 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.741 0.089 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.868 -1.143 -4.618 1.00 0.00 H new ATOM 365 N LYS A 26 9.011 0.033 -5.005 1.00 0.00 N ATOM 366 CA LYS A 26 8.140 0.829 -5.861 1.00 0.00 C ATOM 367 C LYS A 26 7.251 1.747 -5.028 1.00 0.00 C ATOM 368 O LYS A 26 6.879 1.412 -3.901 1.00 0.00 O ATOM 369 CB LYS A 26 7.315 -0.066 -6.796 1.00 0.00 C ATOM 370 CG LYS A 26 6.450 -1.100 -6.094 1.00 0.00 C ATOM 371 CD LYS A 26 5.880 -2.101 -7.088 1.00 0.00 C ATOM 372 CE LYS A 26 6.983 -2.916 -7.751 1.00 0.00 C ATOM 373 NZ LYS A 26 6.456 -3.850 -8.785 1.00 0.00 N ATOM 0 H LYS A 26 8.541 -0.700 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 26 8.767 1.461 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.673 0.567 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.995 -0.582 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.041 -1.624 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.636 -0.601 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.188 -2.770 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.307 -1.573 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.705 -2.240 -8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.518 -3.485 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.235 -4.429 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.737 -4.469 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.028 -3.304 -9.560 1.00 0.00 H new ATOM 387 N GLU A 27 6.938 2.908 -5.590 1.00 0.00 N ATOM 388 CA GLU A 27 6.243 3.968 -4.868 1.00 0.00 C ATOM 389 C GLU A 27 4.767 3.644 -4.649 1.00 0.00 C ATOM 390 O GLU A 27 4.061 3.229 -5.574 1.00 0.00 O ATOM 391 CB GLU A 27 6.373 5.288 -5.633 1.00 0.00 C ATOM 392 CG GLU A 27 5.735 6.475 -4.928 1.00 0.00 C ATOM 393 CD GLU A 27 5.759 7.732 -5.771 1.00 0.00 C ATOM 394 OE1 GLU A 27 6.745 8.491 -5.689 1.00 0.00 O ATOM 395 OE2 GLU A 27 4.787 7.968 -6.524 1.00 0.00 O ATOM 0 H GLU A 27 7.158 3.142 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 27 6.710 4.056 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.430 5.500 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.916 5.173 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.703 6.231 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.258 6.661 -3.990 1.00 0.00 H new ATOM 402 N ILE A 28 4.307 3.864 -3.425 1.00 0.00 N ATOM 403 CA ILE A 28 2.915 3.646 -3.069 1.00 0.00 C ATOM 404 C ILE A 28 2.198 4.982 -2.916 1.00 0.00 C ATOM 405 O ILE A 28 2.777 5.954 -2.435 1.00 0.00 O ATOM 406 CB ILE A 28 2.789 2.844 -1.754 1.00 0.00 C ATOM 407 CG1 ILE A 28 3.500 1.498 -1.884 1.00 0.00 C ATOM 408 CG2 ILE A 28 1.328 2.640 -1.381 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.956 0.632 -2.999 1.00 0.00 C ATOM 0 H ILE A 28 4.887 4.197 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 28 2.454 3.069 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 28 3.265 3.416 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.562 1.672 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.414 0.958 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.265 2.073 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.848 3.609 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.823 2.091 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.508 -0.307 -3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.901 0.427 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.067 1.152 -3.951 1.00 0.00 H new ATOM 421 N SER A 29 0.949 5.037 -3.352 1.00 0.00 N ATOM 422 CA SER A 29 0.148 6.234 -3.212 1.00 0.00 C ATOM 423 C SER A 29 -1.196 5.909 -2.561 1.00 0.00 C ATOM 424 O SER A 29 -1.967 5.097 -3.075 1.00 0.00 O ATOM 425 CB SER A 29 -0.056 6.871 -4.577 1.00 0.00 C ATOM 426 OG SER A 29 1.192 7.183 -5.180 1.00 0.00 O ATOM 0 H SER A 29 0.470 4.260 -3.807 1.00 0.00 H new ATOM 0 HA SER A 29 0.671 6.939 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.616 6.192 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.652 7.778 -4.475 1.00 0.00 H new ATOM 0 HG SER A 29 1.038 7.590 -6.058 1.00 0.00 H new ATOM 432 N TYR A 30 -1.452 6.533 -1.419 1.00 0.00 N ATOM 433 CA TYR A 30 -2.704 6.341 -0.694 1.00 0.00 C ATOM 434 C TYR A 30 -3.638 7.508 -0.935 1.00 0.00 C ATOM 435 O TYR A 30 -3.231 8.532 -1.483 1.00 0.00 O ATOM 436 CB TYR A 30 -2.448 6.244 0.813 1.00 0.00 C ATOM 437 CG TYR A 30 -1.679 5.021 1.243 1.00 0.00 C ATOM 438 CD1 TYR A 30 -1.960 3.774 0.702 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.680 5.111 2.201 1.00 0.00 C ATOM 440 CE1 TYR A 30 -1.265 2.653 1.104 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.018 3.993 2.609 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.278 2.766 2.057 1.00 0.00 C ATOM 443 OH TYR A 30 0.412 1.649 2.464 1.00 0.00 O ATOM 0 H TYR A 30 -0.805 7.182 -0.971 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.154 5.416 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.902 7.131 1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.406 6.255 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.734 3.680 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.445 6.072 2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.494 1.690 0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.792 4.079 3.357 1.00 0.00 H new ATOM 0 HH TYR A 30 1.074 1.902 3.141 1.00 0.00 H new ATOM 453 N VAL A 31 -4.879 7.354 -0.506 1.00 0.00 N ATOM 454 CA VAL A 31 -5.798 8.474 -0.452 1.00 0.00 C ATOM 455 C VAL A 31 -5.441 9.326 0.760 1.00 0.00 C ATOM 456 O VAL A 31 -5.598 8.905 1.908 1.00 0.00 O ATOM 457 CB VAL A 31 -7.281 8.022 -0.398 1.00 0.00 C ATOM 458 CG1 VAL A 31 -7.524 7.020 0.722 1.00 0.00 C ATOM 459 CG2 VAL A 31 -8.204 9.225 -0.247 1.00 0.00 C ATOM 0 H VAL A 31 -5.271 6.466 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.697 9.057 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.506 7.524 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.574 6.728 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.903 6.139 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.269 7.475 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.240 8.887 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.963 9.755 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.070 9.895 -1.096 1.00 0.00 H new ATOM 469 N HIS A 32 -4.898 10.499 0.510 1.00 0.00 N ATOM 470 CA HIS A 32 -4.348 11.298 1.585 1.00 0.00 C ATOM 471 C HIS A 32 -4.897 12.711 1.562 1.00 0.00 C ATOM 472 O HIS A 32 -4.838 13.393 0.534 1.00 0.00 O ATOM 473 CB HIS A 32 -2.829 11.329 1.488 1.00 0.00 C ATOM 474 CG HIS A 32 -2.169 11.146 2.814 1.00 0.00 C ATOM 475 ND1 HIS A 32 -1.648 12.183 3.553 1.00 0.00 N ATOM 476 CD2 HIS A 32 -1.947 10.023 3.528 1.00 0.00 C ATOM 477 CE1 HIS A 32 -1.124 11.706 4.666 1.00 0.00 C ATOM 478 NE2 HIS A 32 -1.293 10.397 4.678 1.00 0.00 N ATOM 0 H HIS A 32 -4.826 10.917 -0.418 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.642 10.838 2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.495 10.545 0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.515 12.280 1.057 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -1.664 13.166 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.230 9.019 3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.639 12.288 5.436 1.00 0.00 H new ATOM 487 N ASP A 33 -5.419 13.141 2.707 1.00 0.00 N ATOM 488 CA ASP A 33 -5.939 14.487 2.876 1.00 0.00 C ATOM 489 C ASP A 33 -7.103 14.732 1.926 1.00 0.00 C ATOM 490 O ASP A 33 -7.730 13.792 1.438 1.00 0.00 O ATOM 491 CB ASP A 33 -4.840 15.525 2.632 1.00 0.00 C ATOM 492 CG ASP A 33 -3.620 15.330 3.512 1.00 0.00 C ATOM 493 OD1 ASP A 33 -2.726 14.545 3.134 1.00 0.00 O ATOM 494 OD2 ASP A 33 -3.541 15.968 4.580 1.00 0.00 O ATOM 0 H ASP A 33 -5.492 12.562 3.543 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.294 14.587 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.535 15.481 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.247 16.521 2.804 1.00 0.00 H new ATOM 499 N ALA A 34 -7.403 15.999 1.697 1.00 0.00 N ATOM 500 CA ALA A 34 -8.399 16.386 0.715 1.00 0.00 C ATOM 501 C ALA A 34 -7.830 17.478 -0.182 1.00 0.00 C ATOM 502 O ALA A 34 -8.563 18.209 -0.848 1.00 0.00 O ATOM 503 CB ALA A 34 -9.674 16.854 1.407 1.00 0.00 C ATOM 0 H ALA A 34 -6.966 16.782 2.183 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.653 15.524 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.411 17.141 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.074 16.045 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.450 17.711 2.042 1.00 0.00 H new ATOM 509 N VAL A 35 -6.506 17.577 -0.187 1.00 0.00 N ATOM 510 CA VAL A 35 -5.806 18.589 -0.969 1.00 0.00 C ATOM 511 C VAL A 35 -4.701 17.943 -1.795 1.00 0.00 C ATOM 512 O VAL A 35 -4.719 17.991 -3.028 1.00 0.00 O ATOM 513 CB VAL A 35 -5.183 19.674 -0.061 1.00 0.00 C ATOM 514 CG1 VAL A 35 -4.535 20.770 -0.892 1.00 0.00 C ATOM 515 CG2 VAL A 35 -6.227 20.257 0.880 1.00 0.00 C ATOM 0 H VAL A 35 -5.891 16.963 0.347 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.538 19.059 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.407 19.203 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.104 21.521 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.749 20.339 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.287 21.236 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.765 21.018 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.031 20.706 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.633 19.465 1.509 1.00 0.00 H new ATOM 525 N LYS A 36 -3.745 17.335 -1.096 1.00 0.00 N ATOM 526 CA LYS A 36 -2.615 16.668 -1.731 1.00 0.00 C ATOM 527 C LYS A 36 -3.096 15.634 -2.738 1.00 0.00 C ATOM 528 O LYS A 36 -2.674 15.627 -3.895 1.00 0.00 O ATOM 529 CB LYS A 36 -1.752 15.972 -0.677 1.00 0.00 C ATOM 530 CG LYS A 36 -1.278 16.881 0.446 1.00 0.00 C ATOM 531 CD LYS A 36 -0.603 16.079 1.542 1.00 0.00 C ATOM 532 CE LYS A 36 -0.185 16.953 2.711 1.00 0.00 C ATOM 533 NZ LYS A 36 0.311 16.144 3.857 1.00 0.00 N ATOM 0 H LYS A 36 -3.733 17.292 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.026 17.425 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.321 15.148 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.882 15.536 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.583 17.622 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.126 17.428 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.283 15.303 1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.273 15.575 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.595 17.643 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.032 17.558 3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.587 16.777 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.442 15.504 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.135 15.585 3.557 1.00 0.00 H new ATOM 547 N ASN A 37 -3.997 14.779 -2.293 1.00 0.00 N ATOM 548 CA ASN A 37 -4.505 13.701 -3.113 1.00 0.00 C ATOM 549 C ASN A 37 -6.019 13.595 -2.982 1.00 0.00 C ATOM 550 O ASN A 37 -6.576 13.797 -1.901 1.00 0.00 O ATOM 551 CB ASN A 37 -3.835 12.379 -2.712 1.00 0.00 C ATOM 552 CG ASN A 37 -4.583 11.163 -3.222 1.00 0.00 C ATOM 553 OD1 ASN A 37 -5.451 10.632 -2.535 1.00 0.00 O ATOM 554 ND2 ASN A 37 -4.253 10.716 -4.423 1.00 0.00 N ATOM 0 H ASN A 37 -4.395 14.814 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.270 13.913 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.816 12.362 -3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.765 12.327 -1.625 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.726 9.900 -4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.526 11.187 -4.961 1.00 0.00 H new ATOM 561 N LYS A 38 -6.677 13.318 -4.098 1.00 0.00 N ATOM 562 CA LYS A 38 -8.105 13.045 -4.107 1.00 0.00 C ATOM 563 C LYS A 38 -8.352 11.724 -4.813 1.00 0.00 C ATOM 564 O LYS A 38 -7.501 11.273 -5.584 1.00 0.00 O ATOM 565 CB LYS A 38 -8.887 14.170 -4.790 1.00 0.00 C ATOM 566 CG LYS A 38 -8.747 15.516 -4.102 1.00 0.00 C ATOM 567 CD LYS A 38 -9.763 16.512 -4.630 1.00 0.00 C ATOM 568 CE LYS A 38 -9.601 17.877 -3.984 1.00 0.00 C ATOM 569 NZ LYS A 38 -10.711 18.793 -4.350 1.00 0.00 N ATOM 0 H LYS A 38 -6.238 13.276 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.456 12.985 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.547 14.262 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.942 13.898 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.879 15.393 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.740 15.903 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.653 16.606 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.770 16.138 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.564 17.765 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.651 18.315 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.566 19.715 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.730 18.920 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.615 18.387 -4.034 1.00 0.00 H new ATOM 583 N TRP A 39 -9.526 11.137 -4.561 1.00 0.00 N ATOM 584 CA TRP A 39 -9.868 9.788 -5.027 1.00 0.00 C ATOM 585 C TRP A 39 -9.139 8.747 -4.178 1.00 0.00 C ATOM 586 O TRP A 39 -7.948 8.877 -3.903 1.00 0.00 O ATOM 587 CB TRP A 39 -9.546 9.604 -6.520 1.00 0.00 C ATOM 588 CG TRP A 39 -10.040 8.311 -7.100 1.00 0.00 C ATOM 589 CD1 TRP A 39 -9.328 7.156 -7.262 1.00 0.00 C ATOM 590 CD2 TRP A 39 -11.352 8.049 -7.613 1.00 0.00 C ATOM 591 NE1 TRP A 39 -10.121 6.191 -7.833 1.00 0.00 N ATOM 592 CE2 TRP A 39 -11.368 6.714 -8.055 1.00 0.00 C ATOM 593 CE3 TRP A 39 -12.519 8.813 -7.730 1.00 0.00 C ATOM 594 CZ2 TRP A 39 -12.503 6.128 -8.615 1.00 0.00 C ATOM 595 CZ3 TRP A 39 -13.642 8.231 -8.285 1.00 0.00 C ATOM 596 CH2 TRP A 39 -13.629 6.899 -8.718 1.00 0.00 C ATOM 0 H TRP A 39 -10.270 11.585 -4.026 1.00 0.00 H new ATOM 0 HA TRP A 39 -10.943 9.649 -4.913 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -9.983 10.431 -7.079 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -8.466 9.662 -6.657 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.294 7.022 -6.982 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.829 5.239 -8.056 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -12.541 9.839 -7.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.494 5.103 -8.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -14.546 8.813 -8.387 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -14.526 6.472 -9.142 1.00 0.00 H new ATOM 607 N SER A 40 -9.870 7.723 -3.754 1.00 0.00 N ATOM 608 CA SER A 40 -9.340 6.720 -2.839 1.00 0.00 C ATOM 609 C SER A 40 -8.185 5.934 -3.457 1.00 0.00 C ATOM 610 O SER A 40 -7.932 6.024 -4.659 1.00 0.00 O ATOM 611 CB SER A 40 -10.457 5.773 -2.413 1.00 0.00 C ATOM 612 OG SER A 40 -11.571 6.494 -1.911 1.00 0.00 O ATOM 0 H SER A 40 -10.839 7.565 -4.032 1.00 0.00 H new ATOM 0 HA SER A 40 -8.946 7.239 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.766 5.164 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.087 5.089 -1.649 1.00 0.00 H new ATOM 0 HG SER A 40 -12.275 5.866 -1.646 1.00 0.00 H new ATOM 618 N SER A 41 -7.498 5.164 -2.614 1.00 0.00 N ATOM 619 CA SER A 41 -6.356 4.370 -3.020 1.00 0.00 C ATOM 620 C SER A 41 -6.698 3.521 -4.242 1.00 0.00 C ATOM 621 O SER A 41 -7.426 2.537 -4.137 1.00 0.00 O ATOM 622 CB SER A 41 -5.955 3.483 -1.845 1.00 0.00 C ATOM 623 OG SER A 41 -6.100 4.185 -0.618 1.00 0.00 O ATOM 0 H SER A 41 -7.726 5.078 -1.624 1.00 0.00 H new ATOM 0 HA SER A 41 -5.527 5.022 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.573 2.585 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.922 3.157 -1.964 1.00 0.00 H new ATOM 0 HG SER A 41 -5.560 3.749 0.074 1.00 0.00 H new ATOM 629 N ARG A 42 -6.173 3.917 -5.400 1.00 0.00 N ATOM 630 CA ARG A 42 -6.533 3.293 -6.675 1.00 0.00 C ATOM 631 C ARG A 42 -6.125 1.821 -6.732 1.00 0.00 C ATOM 632 O ARG A 42 -6.704 1.036 -7.483 1.00 0.00 O ATOM 633 CB ARG A 42 -5.887 4.057 -7.833 1.00 0.00 C ATOM 634 CG ARG A 42 -6.314 3.550 -9.200 1.00 0.00 C ATOM 635 CD ARG A 42 -5.738 4.392 -10.324 1.00 0.00 C ATOM 636 NE ARG A 42 -6.244 3.976 -11.629 1.00 0.00 N ATOM 637 CZ ARG A 42 -5.510 3.942 -12.739 1.00 0.00 C ATOM 638 NH1 ARG A 42 -4.215 4.233 -12.693 1.00 0.00 N ATOM 639 NH2 ARG A 42 -6.069 3.596 -13.890 1.00 0.00 N ATOM 0 H ARG A 42 -5.492 4.672 -5.483 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.618 3.337 -6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.142 5.113 -7.749 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.803 3.983 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.992 2.516 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.402 3.554 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.985 5.440 -10.156 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.651 4.315 -10.315 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.222 3.694 -11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.780 4.484 -11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.656 4.206 -13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.060 3.356 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.508 3.569 -14.742 1.00 0.00 H new ATOM 653 N TYR A 43 -5.129 1.455 -5.939 1.00 0.00 N ATOM 654 CA TYR A 43 -4.652 0.076 -5.897 1.00 0.00 C ATOM 655 C TYR A 43 -5.704 -0.853 -5.286 1.00 0.00 C ATOM 656 O TYR A 43 -5.694 -2.058 -5.533 1.00 0.00 O ATOM 657 CB TYR A 43 -3.345 -0.023 -5.101 1.00 0.00 C ATOM 658 CG TYR A 43 -2.179 0.711 -5.727 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.750 0.405 -7.015 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.505 1.708 -5.032 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.682 1.068 -7.589 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.435 2.376 -5.599 1.00 0.00 C ATOM 663 CZ TYR A 43 -0.029 2.053 -6.879 1.00 0.00 C ATOM 664 OH TYR A 43 1.035 2.719 -7.454 1.00 0.00 O ATOM 0 H TYR A 43 -4.634 2.092 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.465 -0.239 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.512 0.372 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.080 -1.074 -4.989 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.261 -0.364 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.822 1.965 -4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.360 0.816 -8.589 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.080 3.146 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 43 1.384 3.383 -6.824 1.00 0.00 H new ATOM 674 N LEU A 44 -6.615 -0.284 -4.505 1.00 0.00 N ATOM 675 CA LEU A 44 -7.649 -1.065 -3.837 1.00 0.00 C ATOM 676 C LEU A 44 -9.028 -0.623 -4.306 1.00 0.00 C ATOM 677 O LEU A 44 -9.193 0.492 -4.800 1.00 0.00 O ATOM 678 CB LEU A 44 -7.558 -0.914 -2.306 1.00 0.00 C ATOM 679 CG LEU A 44 -6.325 -1.532 -1.628 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.092 -2.953 -2.118 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.089 -0.669 -1.844 1.00 0.00 C ATOM 0 H LEU A 44 -6.658 0.718 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.493 -2.113 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.582 0.149 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.449 -1.361 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.517 -1.573 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.214 -3.369 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.963 -3.565 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.931 -2.944 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.232 -1.131 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.890 -0.579 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.258 0.321 -1.422 1.00 0.00 H new ATOM 693 N PRO A 45 -10.036 -1.496 -4.183 1.00 0.00 N ATOM 694 CA PRO A 45 -11.423 -1.126 -4.454 1.00 0.00 C ATOM 695 C PRO A 45 -12.015 -0.286 -3.319 1.00 0.00 C ATOM 696 O PRO A 45 -11.332 0.018 -2.337 1.00 0.00 O ATOM 697 CB PRO A 45 -12.134 -2.476 -4.556 1.00 0.00 C ATOM 698 CG PRO A 45 -11.325 -3.398 -3.712 1.00 0.00 C ATOM 699 CD PRO A 45 -9.903 -2.911 -3.793 1.00 0.00 C ATOM 0 HA PRO A 45 -11.525 -0.514 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.161 -2.410 -4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.179 -2.822 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.679 -3.392 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.405 -4.424 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.390 -3.016 -2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.328 -3.476 -4.527 1.00 0.00 H new ATOM 707 N TYR A 46 -13.287 0.073 -3.442 1.00 0.00 N ATOM 708 CA TYR A 46 -13.954 0.887 -2.428 1.00 0.00 C ATOM 709 C TYR A 46 -14.451 0.036 -1.260 1.00 0.00 C ATOM 710 O TYR A 46 -15.622 0.096 -0.873 1.00 0.00 O ATOM 711 CB TYR A 46 -15.101 1.707 -3.043 1.00 0.00 C ATOM 712 CG TYR A 46 -15.950 0.963 -4.058 1.00 0.00 C ATOM 713 CD1 TYR A 46 -17.007 0.155 -3.659 1.00 0.00 C ATOM 714 CD2 TYR A 46 -15.697 1.083 -5.421 1.00 0.00 C ATOM 715 CE1 TYR A 46 -17.785 -0.513 -4.586 1.00 0.00 C ATOM 716 CE2 TYR A 46 -16.472 0.421 -6.353 1.00 0.00 C ATOM 717 CZ TYR A 46 -17.513 -0.377 -5.931 1.00 0.00 C ATOM 718 OH TYR A 46 -18.284 -1.039 -6.859 1.00 0.00 O ATOM 0 H TYR A 46 -13.878 -0.185 -4.232 1.00 0.00 H new ATOM 0 HA TYR A 46 -13.216 1.585 -2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -15.748 2.059 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.679 2.590 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -17.225 0.047 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.880 1.705 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.602 -1.139 -4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -16.263 0.528 -7.407 1.00 0.00 H new ATOM 0 HH TYR A 46 -17.959 -0.834 -7.760 1.00 0.00 H new ATOM 728 N THR A 47 -13.546 -0.752 -0.704 1.00 0.00 N ATOM 729 CA THR A 47 -13.830 -1.538 0.482 1.00 0.00 C ATOM 730 C THR A 47 -13.645 -0.674 1.729 1.00 0.00 C ATOM 731 O THR A 47 -13.114 0.437 1.651 1.00 0.00 O ATOM 732 CB THR A 47 -12.905 -2.760 0.557 1.00 0.00 C ATOM 733 OG1 THR A 47 -12.508 -3.143 -0.765 1.00 0.00 O ATOM 734 CG2 THR A 47 -13.598 -3.936 1.232 1.00 0.00 C ATOM 0 H THR A 47 -12.597 -0.864 -1.062 1.00 0.00 H new ATOM 0 HA THR A 47 -14.861 -1.886 0.429 1.00 0.00 H new ATOM 0 HB THR A 47 -12.031 -2.488 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.819 -3.838 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.917 -4.786 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.886 -3.656 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.488 -4.209 0.664 1.00 0.00 H new ATOM 742 N GLN A 48 -14.076 -1.174 2.875 1.00 0.00 N ATOM 743 CA GLN A 48 -14.000 -0.399 4.102 1.00 0.00 C ATOM 744 C GLN A 48 -12.648 -0.553 4.784 1.00 0.00 C ATOM 745 O GLN A 48 -12.430 -1.474 5.576 1.00 0.00 O ATOM 746 CB GLN A 48 -15.123 -0.774 5.065 1.00 0.00 C ATOM 747 CG GLN A 48 -16.503 -0.392 4.558 1.00 0.00 C ATOM 748 CD GLN A 48 -17.592 -0.650 5.578 1.00 0.00 C ATOM 749 OE1 GLN A 48 -17.360 -0.581 6.787 1.00 0.00 O ATOM 750 NE2 GLN A 48 -18.786 -0.952 5.098 1.00 0.00 N ATOM 0 H GLN A 48 -14.479 -2.105 2.982 1.00 0.00 H new ATOM 0 HA GLN A 48 -14.119 0.648 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -15.094 -1.849 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.948 -0.286 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -16.507 0.664 4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -16.721 -0.954 3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -18.934 -0.998 4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -19.560 -1.139 5.736 1.00 0.00 H new ATOM 759 N TYR A 49 -11.740 0.347 4.448 1.00 0.00 N ATOM 760 CA TYR A 49 -10.462 0.454 5.130 1.00 0.00 C ATOM 761 C TYR A 49 -10.301 1.868 5.663 1.00 0.00 C ATOM 762 O TYR A 49 -11.069 2.760 5.295 1.00 0.00 O ATOM 763 CB TYR A 49 -9.295 0.090 4.203 1.00 0.00 C ATOM 764 CG TYR A 49 -9.304 0.791 2.855 1.00 0.00 C ATOM 765 CD1 TYR A 49 -9.000 2.144 2.743 1.00 0.00 C ATOM 766 CD2 TYR A 49 -9.593 0.088 1.691 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.989 2.774 1.515 1.00 0.00 C ATOM 768 CE2 TYR A 49 -9.587 0.713 0.460 1.00 0.00 C ATOM 769 CZ TYR A 49 -9.282 2.055 0.377 1.00 0.00 C ATOM 770 OH TYR A 49 -9.267 2.679 -0.849 1.00 0.00 O ATOM 0 H TYR A 49 -11.868 1.024 3.695 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.447 -0.255 5.958 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.360 0.324 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.306 -0.987 4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.769 2.711 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.826 -0.965 1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.752 3.825 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.820 0.153 -0.434 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.494 2.031 -1.548 1.00 0.00 H new ATOM 780 N ASP A 50 -9.313 2.078 6.522 1.00 0.00 N ATOM 781 CA ASP A 50 -9.136 3.382 7.151 1.00 0.00 C ATOM 782 C ASP A 50 -7.698 3.590 7.624 1.00 0.00 C ATOM 783 O ASP A 50 -7.165 4.697 7.550 1.00 0.00 O ATOM 784 CB ASP A 50 -10.102 3.520 8.331 1.00 0.00 C ATOM 785 CG ASP A 50 -10.073 4.901 8.956 1.00 0.00 C ATOM 786 OD1 ASP A 50 -10.773 5.806 8.451 1.00 0.00 O ATOM 787 OD2 ASP A 50 -9.371 5.083 9.969 1.00 0.00 O ATOM 0 H ASP A 50 -8.629 1.373 6.798 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.353 4.148 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.115 3.300 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.851 2.778 9.089 1.00 0.00 H new ATOM 792 N SER A 51 -7.067 2.526 8.094 1.00 0.00 N ATOM 793 CA SER A 51 -5.740 2.630 8.688 1.00 0.00 C ATOM 794 C SER A 51 -4.643 2.494 7.632 1.00 0.00 C ATOM 795 O SER A 51 -4.738 1.665 6.728 1.00 0.00 O ATOM 796 CB SER A 51 -5.583 1.560 9.766 1.00 0.00 C ATOM 797 OG SER A 51 -6.647 1.635 10.699 1.00 0.00 O ATOM 0 H SER A 51 -7.450 1.581 8.077 1.00 0.00 H new ATOM 0 HA SER A 51 -5.637 3.617 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.564 0.572 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.631 1.691 10.280 1.00 0.00 H new ATOM 0 HG SER A 51 -6.533 0.942 11.382 1.00 0.00 H new ATOM 803 N LEU A 52 -3.599 3.304 7.761 1.00 0.00 N ATOM 804 CA LEU A 52 -2.496 3.303 6.805 1.00 0.00 C ATOM 805 C LEU A 52 -1.730 1.985 6.868 1.00 0.00 C ATOM 806 O LEU A 52 -1.285 1.464 5.844 1.00 0.00 O ATOM 807 CB LEU A 52 -1.540 4.478 7.069 1.00 0.00 C ATOM 808 CG LEU A 52 -2.084 5.882 6.754 1.00 0.00 C ATOM 809 CD1 LEU A 52 -2.663 5.932 5.346 1.00 0.00 C ATOM 810 CD2 LEU A 52 -3.118 6.321 7.789 1.00 0.00 C ATOM 0 H LEU A 52 -3.492 3.974 8.523 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.919 3.417 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.247 4.452 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.635 4.322 6.482 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.251 6.583 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.042 6.934 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.885 5.686 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.477 5.212 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.483 7.317 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.952 5.619 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.658 6.341 8.777 1.00 0.00 H new ATOM 822 N LEU A 53 -1.589 1.447 8.075 1.00 0.00 N ATOM 823 CA LEU A 53 -0.930 0.161 8.272 1.00 0.00 C ATOM 824 C LEU A 53 -1.745 -0.930 7.573 1.00 0.00 C ATOM 825 O LEU A 53 -1.196 -1.830 6.940 1.00 0.00 O ATOM 826 CB LEU A 53 -0.796 -0.130 9.779 1.00 0.00 C ATOM 827 CG LEU A 53 0.298 -1.126 10.192 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.054 -2.550 9.778 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.642 -0.714 9.606 1.00 0.00 C ATOM 0 H LEU A 53 -1.924 1.883 8.934 1.00 0.00 H new ATOM 0 HA LEU A 53 0.071 0.183 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.610 0.813 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.753 -0.506 10.140 1.00 0.00 H new ATOM 0 HG LEU A 53 0.369 -1.108 11.280 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.743 -3.226 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.988 -2.847 10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.170 -2.596 8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.406 -1.430 9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.574 -0.694 8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.910 0.277 9.971 1.00 0.00 H new ATOM 841 N ASP A 54 -3.064 -0.811 7.674 1.00 0.00 N ATOM 842 CA ASP A 54 -3.978 -1.747 7.033 1.00 0.00 C ATOM 843 C ASP A 54 -3.854 -1.670 5.514 1.00 0.00 C ATOM 844 O ASP A 54 -3.820 -2.698 4.835 1.00 0.00 O ATOM 845 CB ASP A 54 -5.417 -1.451 7.453 1.00 0.00 C ATOM 846 CG ASP A 54 -6.415 -2.361 6.773 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.336 -3.592 6.975 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.295 -1.849 6.053 1.00 0.00 O ATOM 0 H ASP A 54 -3.527 -0.069 8.199 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.713 -2.755 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.507 -1.561 8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.655 -0.414 7.217 1.00 0.00 H new ATOM 853 N LEU A 55 -3.766 -0.445 4.997 1.00 0.00 N ATOM 854 CA LEU A 55 -3.614 -0.212 3.563 1.00 0.00 C ATOM 855 C LEU A 55 -2.408 -0.959 3.006 1.00 0.00 C ATOM 856 O LEU A 55 -2.507 -1.630 1.980 1.00 0.00 O ATOM 857 CB LEU A 55 -3.460 1.286 3.281 1.00 0.00 C ATOM 858 CG LEU A 55 -4.699 1.989 2.726 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.163 1.319 1.439 1.00 0.00 C ATOM 860 CD2 LEU A 55 -5.815 2.004 3.753 1.00 0.00 C ATOM 0 H LEU A 55 -3.798 0.407 5.556 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.512 -0.586 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.168 1.783 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.641 1.421 2.574 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.432 3.021 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.046 1.833 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.367 1.367 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.409 0.276 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.686 2.509 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.081 0.980 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.481 2.533 4.645 1.00 0.00 H new ATOM 872 N ALA A 56 -1.276 -0.844 3.695 1.00 0.00 N ATOM 873 CA ALA A 56 -0.043 -1.495 3.261 1.00 0.00 C ATOM 874 C ALA A 56 -0.233 -3.003 3.128 1.00 0.00 C ATOM 875 O ALA A 56 0.275 -3.629 2.198 1.00 0.00 O ATOM 876 CB ALA A 56 1.089 -1.183 4.232 1.00 0.00 C ATOM 0 H ALA A 56 -1.187 -0.306 4.557 1.00 0.00 H new ATOM 0 HA ALA A 56 0.219 -1.103 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.002 -1.675 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.250 -0.106 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.826 -1.545 5.226 1.00 0.00 H new ATOM 882 N ARG A 57 -0.984 -3.577 4.059 1.00 0.00 N ATOM 883 CA ARG A 57 -1.257 -5.008 4.048 1.00 0.00 C ATOM 884 C ARG A 57 -2.208 -5.349 2.914 1.00 0.00 C ATOM 885 O ARG A 57 -2.009 -6.324 2.192 1.00 0.00 O ATOM 886 CB ARG A 57 -1.875 -5.447 5.376 1.00 0.00 C ATOM 887 CG ARG A 57 -1.101 -5.011 6.600 1.00 0.00 C ATOM 888 CD ARG A 57 -1.766 -5.534 7.856 1.00 0.00 C ATOM 889 NE ARG A 57 -3.185 -5.173 7.914 1.00 0.00 N ATOM 890 CZ ARG A 57 -4.115 -5.898 8.538 1.00 0.00 C ATOM 891 NH1 ARG A 57 -3.771 -7.000 9.195 1.00 0.00 N ATOM 892 NH2 ARG A 57 -5.390 -5.525 8.497 1.00 0.00 N ATOM 0 H ARG A 57 -1.416 -3.072 4.833 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.314 -5.535 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.888 -5.049 5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.959 -6.534 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.077 -5.380 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.046 -3.923 6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.665 -6.619 7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.254 -5.135 8.731 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.480 -4.315 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.794 -7.293 9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.483 -7.553 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.659 -4.683 7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.100 -6.081 8.975 1.00 0.00 H new ATOM 906 N ALA A 58 -3.240 -4.528 2.761 1.00 0.00 N ATOM 907 CA ALA A 58 -4.248 -4.742 1.733 1.00 0.00 C ATOM 908 C ALA A 58 -3.623 -4.737 0.347 1.00 0.00 C ATOM 909 O ALA A 58 -4.015 -5.514 -0.521 1.00 0.00 O ATOM 910 CB ALA A 58 -5.342 -3.690 1.826 1.00 0.00 C ATOM 0 H ALA A 58 -3.400 -3.704 3.340 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.695 -5.722 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.085 -3.868 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.819 -3.747 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.907 -2.700 1.692 1.00 0.00 H new ATOM 916 N ILE A 59 -2.645 -3.867 0.155 1.00 0.00 N ATOM 917 CA ILE A 59 -1.943 -3.778 -1.116 1.00 0.00 C ATOM 918 C ILE A 59 -1.209 -5.078 -1.427 1.00 0.00 C ATOM 919 O ILE A 59 -1.377 -5.642 -2.500 1.00 0.00 O ATOM 920 CB ILE A 59 -0.941 -2.604 -1.121 1.00 0.00 C ATOM 921 CG1 ILE A 59 -1.685 -1.277 -0.984 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.101 -2.614 -2.388 1.00 0.00 C ATOM 923 CD1 ILE A 59 -0.777 -0.070 -0.923 1.00 0.00 C ATOM 0 H ILE A 59 -2.318 -3.211 0.864 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.693 -3.601 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.270 -2.721 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.366 -1.165 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.296 -1.306 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.597 -1.777 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.455 -3.550 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.752 -2.522 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.379 0.834 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.113 -0.158 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.184 -0.014 -1.836 1.00 0.00 H new ATOM 935 N ILE A 60 -0.435 -5.576 -0.475 1.00 0.00 N ATOM 936 CA ILE A 60 0.350 -6.783 -0.706 1.00 0.00 C ATOM 937 C ILE A 60 -0.557 -8.004 -0.846 1.00 0.00 C ATOM 938 O ILE A 60 -0.305 -8.890 -1.662 1.00 0.00 O ATOM 939 CB ILE A 60 1.383 -7.015 0.419 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.375 -5.851 0.454 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.117 -8.333 0.217 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.438 -5.981 1.522 1.00 0.00 C ATOM 0 H ILE A 60 -0.333 -5.170 0.455 1.00 0.00 H new ATOM 0 HA ILE A 60 0.894 -6.640 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 60 0.857 -7.066 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.860 -5.771 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.825 -4.923 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.839 -8.474 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.400 -9.154 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.639 -8.316 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.102 -5.117 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.965 -6.030 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.015 -6.890 1.352 1.00 0.00 H new ATOM 954 N ARG A 61 -1.612 -8.046 -0.043 1.00 0.00 N ATOM 955 CA ARG A 61 -2.503 -9.198 -0.011 1.00 0.00 C ATOM 956 C ARG A 61 -3.367 -9.285 -1.272 1.00 0.00 C ATOM 957 O ARG A 61 -3.653 -10.378 -1.760 1.00 0.00 O ATOM 958 CB ARG A 61 -3.420 -9.136 1.213 1.00 0.00 C ATOM 959 CG ARG A 61 -4.096 -10.464 1.529 1.00 0.00 C ATOM 960 CD ARG A 61 -5.214 -10.307 2.548 1.00 0.00 C ATOM 961 NE ARG A 61 -6.450 -9.812 1.940 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.646 -10.378 2.129 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.771 -11.408 2.954 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.720 -9.901 1.511 1.00 0.00 N ATOM 0 H ARG A 61 -1.872 -7.294 0.596 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.871 -10.085 0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.838 -8.818 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.185 -8.378 1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.499 -10.893 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.355 -11.166 1.910 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.405 -11.268 3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.896 -9.619 3.331 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.396 -8.990 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.954 -11.770 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.684 -11.839 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.635 -9.098 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.630 -10.338 1.660 1.00 0.00 H new ATOM 978 N ASP A 62 -3.791 -8.137 -1.794 1.00 0.00 N ATOM 979 CA ASP A 62 -4.790 -8.126 -2.866 1.00 0.00 C ATOM 980 C ASP A 62 -4.151 -8.096 -4.252 1.00 0.00 C ATOM 981 O ASP A 62 -4.740 -8.558 -5.232 1.00 0.00 O ATOM 982 CB ASP A 62 -5.739 -6.936 -2.696 1.00 0.00 C ATOM 983 CG ASP A 62 -7.059 -7.135 -3.414 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.135 -6.861 -4.627 1.00 0.00 O ATOM 985 OD2 ASP A 62 -8.030 -7.575 -2.763 1.00 0.00 O ATOM 0 H ASP A 62 -3.467 -7.215 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.356 -9.055 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.928 -6.776 -1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.257 -6.035 -3.074 1.00 0.00 H new ATOM 990 N THR A 63 -2.947 -7.573 -4.328 1.00 0.00 N ATOM 991 CA THR A 63 -2.232 -7.497 -5.594 1.00 0.00 C ATOM 992 C THR A 63 -0.777 -7.927 -5.418 1.00 0.00 C ATOM 993 O THR A 63 -0.073 -7.462 -4.524 1.00 0.00 O ATOM 994 CB THR A 63 -2.337 -6.089 -6.241 1.00 0.00 C ATOM 995 OG1 THR A 63 -1.264 -5.870 -7.164 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.354 -4.976 -5.204 1.00 0.00 C ATOM 0 H THR A 63 -2.438 -7.192 -3.530 1.00 0.00 H new ATOM 0 HA THR A 63 -2.710 -8.192 -6.284 1.00 0.00 H new ATOM 0 HB THR A 63 -3.286 -6.063 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.097 -6.691 -7.672 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.428 -4.012 -5.707 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.211 -5.108 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.435 -5.010 -4.619 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.339 -8.832 -6.289 1.00 0.00 N ATOM 1005 CA VAL A 64 0.940 -9.511 -6.121 1.00 0.00 C ATOM 1006 C VAL A 64 2.027 -8.874 -6.990 1.00 0.00 C ATOM 1007 O VAL A 64 3.198 -9.247 -6.919 1.00 0.00 O ATOM 1008 CB VAL A 64 0.806 -11.013 -6.458 1.00 0.00 C ATOM 1009 CG1 VAL A 64 2.043 -11.792 -6.025 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.438 -11.595 -5.803 1.00 0.00 C ATOM 0 H VAL A 64 -0.855 -9.112 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 64 1.234 -9.407 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 64 0.713 -11.104 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.916 -12.845 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.919 -11.399 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.179 -11.690 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.518 -12.654 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.368 -11.479 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.321 -11.070 -6.168 1.00 0.00 H new ATOM 1020 N GLU A 65 1.645 -7.896 -7.802 1.00 0.00 N ATOM 1021 CA GLU A 65 2.604 -7.189 -8.653 1.00 0.00 C ATOM 1022 C GLU A 65 3.563 -6.346 -7.808 1.00 0.00 C ATOM 1023 O GLU A 65 4.506 -5.741 -8.323 1.00 0.00 O ATOM 1024 CB GLU A 65 1.888 -6.285 -9.662 1.00 0.00 C ATOM 1025 CG GLU A 65 0.833 -6.996 -10.497 1.00 0.00 C ATOM 1026 CD GLU A 65 -0.542 -6.965 -9.858 1.00 0.00 C ATOM 1027 OE1 GLU A 65 -0.803 -7.781 -8.953 1.00 0.00 O ATOM 1028 OE2 GLU A 65 -1.361 -6.105 -10.244 1.00 0.00 O ATOM 0 H GLU A 65 0.682 -7.572 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 65 3.173 -7.943 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.416 -5.462 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.629 -5.846 -10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.782 -6.531 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.135 -8.032 -10.649 1.00 0.00 H new ATOM 1035 N PHE A 66 3.311 -6.311 -6.510 1.00 0.00 N ATOM 1036 CA PHE A 66 4.140 -5.558 -5.585 1.00 0.00 C ATOM 1037 C PHE A 66 5.238 -6.431 -4.994 1.00 0.00 C ATOM 1038 O PHE A 66 6.150 -5.932 -4.341 1.00 0.00 O ATOM 1039 CB PHE A 66 3.269 -4.948 -4.485 1.00 0.00 C ATOM 1040 CG PHE A 66 2.451 -3.791 -4.979 1.00 0.00 C ATOM 1041 CD1 PHE A 66 2.987 -2.514 -5.004 1.00 0.00 C ATOM 1042 CD2 PHE A 66 1.157 -3.978 -5.433 1.00 0.00 C ATOM 1043 CE1 PHE A 66 2.247 -1.448 -5.474 1.00 0.00 C ATOM 1044 CE2 PHE A 66 0.414 -2.911 -5.905 1.00 0.00 C ATOM 1045 CZ PHE A 66 0.961 -1.647 -5.922 1.00 0.00 C ATOM 0 H PHE A 66 2.531 -6.800 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 66 4.627 -4.751 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.605 -5.714 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.905 -4.616 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.995 -2.351 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.723 -4.967 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.677 -0.458 -5.490 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.594 -3.069 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.381 -0.812 -6.287 1.00 0.00 H new ATOM 1055 N SER A 67 5.160 -7.729 -5.246 1.00 0.00 N ATOM 1056 CA SER A 67 6.187 -8.650 -4.788 1.00 0.00 C ATOM 1057 C SER A 67 7.400 -8.609 -5.714 1.00 0.00 C ATOM 1058 O SER A 67 7.470 -9.336 -6.708 1.00 0.00 O ATOM 1059 CB SER A 67 5.634 -10.071 -4.712 1.00 0.00 C ATOM 1060 OG SER A 67 4.519 -10.139 -3.842 1.00 0.00 O ATOM 0 H SER A 67 4.398 -8.167 -5.764 1.00 0.00 H new ATOM 0 HA SER A 67 6.501 -8.341 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.343 -10.405 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.413 -10.749 -4.364 1.00 0.00 H new ATOM 0 HG SER A 67 4.183 -11.059 -3.812 1.00 0.00 H new ATOM 1066 N GLY A 68 8.339 -7.731 -5.397 1.00 0.00 N ATOM 1067 CA GLY A 68 9.535 -7.607 -6.201 1.00 0.00 C ATOM 1068 C GLY A 68 10.788 -7.885 -5.401 1.00 0.00 C ATOM 1069 O GLY A 68 11.307 -7.002 -4.718 1.00 0.00 O ATOM 0 H GLY A 68 8.293 -7.101 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.480 -8.299 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.588 -6.602 -6.619 1.00 0.00 H new ATOM 1073 N VAL A 69 11.271 -9.117 -5.471 1.00 0.00 N ATOM 1074 CA VAL A 69 12.481 -9.498 -4.760 1.00 0.00 C ATOM 1075 C VAL A 69 13.697 -9.364 -5.672 1.00 0.00 C ATOM 1076 O VAL A 69 13.762 -9.986 -6.734 1.00 0.00 O ATOM 1077 CB VAL A 69 12.395 -10.945 -4.228 1.00 0.00 C ATOM 1078 CG1 VAL A 69 13.652 -11.313 -3.453 1.00 0.00 C ATOM 1079 CG2 VAL A 69 11.162 -11.125 -3.359 1.00 0.00 C ATOM 0 H VAL A 69 10.844 -9.868 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 69 12.585 -8.825 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 69 12.314 -11.615 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.568 -12.337 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.520 -11.231 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.770 -10.635 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.120 -12.151 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.211 -10.441 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.269 -10.912 -3.946 1.00 0.00 H new ATOM 1089 N LYS A 70 14.641 -8.527 -5.265 1.00 0.00 N ATOM 1090 CA LYS A 70 15.885 -8.353 -6.002 1.00 0.00 C ATOM 1091 C LYS A 70 16.945 -9.288 -5.425 1.00 0.00 C ATOM 1092 O LYS A 70 17.481 -10.151 -6.122 1.00 0.00 O ATOM 1093 CB LYS A 70 16.333 -6.891 -5.919 1.00 0.00 C ATOM 1094 CG LYS A 70 17.483 -6.534 -6.843 1.00 0.00 C ATOM 1095 CD LYS A 70 17.688 -5.029 -6.894 1.00 0.00 C ATOM 1096 CE LYS A 70 18.823 -4.645 -7.826 1.00 0.00 C ATOM 1097 NZ LYS A 70 18.948 -3.168 -7.969 1.00 0.00 N ATOM 0 H LYS A 70 14.568 -7.955 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 70 15.736 -8.602 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.483 -6.250 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.626 -6.671 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.396 -7.018 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.281 -6.912 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.768 -4.548 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.899 -4.657 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.759 -5.053 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.655 -5.092 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.734 -2.947 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.064 -2.781 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.134 -2.744 -7.038 1.00 0.00 H new ATOM 1111 N GLU A 71 17.235 -9.109 -4.143 1.00 0.00 N ATOM 1112 CA GLU A 71 18.032 -10.067 -3.393 1.00 0.00 C ATOM 1113 C GLU A 71 17.304 -10.439 -2.112 1.00 0.00 C ATOM 1114 O GLU A 71 16.634 -9.601 -1.506 1.00 0.00 O ATOM 1115 CB GLU A 71 19.426 -9.532 -3.051 1.00 0.00 C ATOM 1116 CG GLU A 71 20.417 -9.579 -4.202 1.00 0.00 C ATOM 1117 CD GLU A 71 21.852 -9.626 -3.717 1.00 0.00 C ATOM 1118 OE1 GLU A 71 22.311 -8.641 -3.105 1.00 0.00 O ATOM 1119 OE2 GLU A 71 22.520 -10.667 -3.917 1.00 0.00 O ATOM 0 H GLU A 71 16.927 -8.303 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 71 18.166 -10.944 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.332 -8.501 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 71 19.828 -10.108 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 71 20.214 -10.455 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.278 -8.703 -4.836 1.00 0.00 H new ATOM 1126 N GLY A 72 17.420 -11.693 -1.718 1.00 0.00 N ATOM 1127 CA GLY A 72 16.771 -12.150 -0.511 1.00 0.00 C ATOM 1128 C GLY A 72 17.156 -13.567 -0.166 1.00 0.00 C ATOM 1129 O GLY A 72 18.333 -13.925 -0.203 1.00 0.00 O ATOM 0 H GLY A 72 17.954 -12.406 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 72 17.036 -11.491 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.690 -12.088 -0.634 1.00 0.00 H new ATOM 1133 N SER A 73 16.172 -14.373 0.171 1.00 0.00 N ATOM 1134 CA SER A 73 16.407 -15.762 0.505 1.00 0.00 C ATOM 1135 C SER A 73 15.230 -16.606 0.033 1.00 0.00 C ATOM 1136 O SER A 73 14.169 -16.568 0.687 1.00 0.00 O ATOM 1137 CB SER A 73 16.615 -15.911 2.014 1.00 0.00 C ATOM 1138 OG SER A 73 17.679 -15.083 2.462 1.00 0.00 O ATOM 1139 OXT SER A 73 15.362 -17.287 -1.001 1.00 0.00 O ATOM 0 H SER A 73 15.194 -14.087 0.221 1.00 0.00 H new ATOM 0 HA SER A 73 17.309 -16.110 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.697 -15.647 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.832 -16.952 2.254 1.00 0.00 H new ATOM 0 HG SER A 73 17.794 -15.192 3.429 1.00 0.00 H new TER 1145 SER A 73