USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.138 (180deg=-0.138) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 4 GLN : amide:sc=-0.00168 X(o=-0.0017,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 7 SER OG : rot -91:sc= -0.248! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 13 GLN : amide:sc= 0.505 K(o=0.5,f=-0.25) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.165 F(o=-2.4!,f=-0.16) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 2.29 (180deg=0.893) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 31 THR OG1 : rot 73:sc= 1.39 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00507 USER MOD Single : A 34 CYS SG : rot 60:sc= 1.13 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 46 GLN : amide:sc= -0.0702 K(o=-0.07,f=-0.82) USER MOD Single : A 47 THR OG1 : rot 84:sc= 1.12 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 0.852 (180deg=0.485) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 80:sc= 0.133 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00103 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -106:sc= 0.988 USER MOD Single : A 72 THR OG1 : rot -150:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.509 -0.362 -13.801 1.00 0.00 N ATOM 2 CA MET A 1 9.843 0.241 -13.946 1.00 0.00 C ATOM 3 C MET A 1 9.835 1.746 -13.683 1.00 0.00 C ATOM 4 O MET A 1 10.859 2.417 -13.831 1.00 0.00 O ATOM 5 CB MET A 1 10.410 -0.042 -15.337 1.00 0.00 C ATOM 6 CG MET A 1 11.913 -0.251 -15.355 1.00 0.00 C ATOM 7 SD MET A 1 12.514 -0.724 -16.987 1.00 0.00 S ATOM 8 CE MET A 1 12.962 0.875 -17.656 1.00 0.00 C ATOM 0 H1 MET A 1 8.567 -1.383 -13.989 1.00 0.00 H new ATOM 0 H2 MET A 1 8.162 -0.208 -12.833 1.00 0.00 H new ATOM 0 H3 MET A 1 7.854 0.078 -14.478 1.00 0.00 H new ATOM 0 HA MET A 1 10.481 -0.219 -13.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.924 -0.929 -15.743 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.160 0.789 -15.997 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.410 0.666 -15.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.180 -1.023 -14.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.353 0.750 -18.666 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.082 1.517 -17.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.725 1.332 -17.026 1.00 0.00 H new ATOM 18 N SER A 2 8.687 2.274 -13.298 1.00 0.00 N ATOM 19 CA SER A 2 8.565 3.692 -13.010 1.00 0.00 C ATOM 20 C SER A 2 9.197 4.014 -11.662 1.00 0.00 C ATOM 21 O SER A 2 9.027 3.256 -10.698 1.00 0.00 O ATOM 22 CB SER A 2 7.096 4.096 -13.038 1.00 0.00 C ATOM 23 OG SER A 2 6.358 3.186 -13.835 1.00 0.00 O ATOM 0 H SER A 2 7.825 1.742 -13.177 1.00 0.00 H new ATOM 0 HA SER A 2 9.096 4.262 -13.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.695 4.112 -12.024 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.996 5.106 -13.437 1.00 0.00 H new ATOM 0 HG SER A 2 5.415 3.452 -13.846 1.00 0.00 H new ATOM 29 N ALA A 3 9.916 5.137 -11.616 1.00 0.00 N ATOM 30 CA ALA A 3 10.700 5.543 -10.450 1.00 0.00 C ATOM 31 C ALA A 3 11.891 4.607 -10.258 1.00 0.00 C ATOM 32 O ALA A 3 12.998 4.896 -10.718 1.00 0.00 O ATOM 33 CB ALA A 3 9.837 5.608 -9.192 1.00 0.00 C ATOM 0 H ALA A 3 9.970 5.795 -12.394 1.00 0.00 H new ATOM 0 HA ALA A 3 11.081 6.548 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.451 5.913 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.035 6.332 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.408 4.626 -8.994 1.00 0.00 H new ATOM 39 N GLN A 4 11.658 3.481 -9.605 1.00 0.00 N ATOM 40 CA GLN A 4 12.702 2.492 -9.376 1.00 0.00 C ATOM 41 C GLN A 4 12.160 1.103 -9.669 1.00 0.00 C ATOM 42 O GLN A 4 10.971 0.844 -9.472 1.00 0.00 O ATOM 43 CB GLN A 4 13.203 2.549 -7.928 1.00 0.00 C ATOM 44 CG GLN A 4 13.862 3.869 -7.555 1.00 0.00 C ATOM 45 CD GLN A 4 15.353 3.735 -7.309 1.00 0.00 C ATOM 46 OE1 GLN A 4 16.166 4.309 -8.033 1.00 0.00 O ATOM 47 NE2 GLN A 4 15.720 2.988 -6.280 1.00 0.00 N ATOM 0 H GLN A 4 10.748 3.226 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 4 13.537 2.713 -10.041 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.363 2.371 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.916 1.740 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.694 4.592 -8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.385 4.267 -6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.013 2.529 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.710 2.871 -6.062 1.00 0.00 H new ATOM 56 N THR A 5 13.019 0.217 -10.143 1.00 0.00 N ATOM 57 CA THR A 5 12.630 -1.163 -10.390 1.00 0.00 C ATOM 58 C THR A 5 12.220 -1.838 -9.085 1.00 0.00 C ATOM 59 O THR A 5 11.203 -2.527 -9.017 1.00 0.00 O ATOM 60 CB THR A 5 13.781 -1.948 -11.036 1.00 0.00 C ATOM 61 OG1 THR A 5 14.982 -1.161 -10.996 1.00 0.00 O ATOM 62 CG2 THR A 5 13.447 -2.307 -12.475 1.00 0.00 C ATOM 0 H THR A 5 13.992 0.428 -10.365 1.00 0.00 H new ATOM 0 HA THR A 5 11.782 -1.157 -11.075 1.00 0.00 H new ATOM 0 HB THR A 5 13.930 -2.872 -10.477 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.716 -1.663 -11.407 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.276 -2.863 -12.913 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.547 -2.921 -12.497 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.278 -1.395 -13.048 1.00 0.00 H new ATOM 70 N VAL A 6 13.012 -1.610 -8.049 1.00 0.00 N ATOM 71 CA VAL A 6 12.711 -2.129 -6.726 1.00 0.00 C ATOM 72 C VAL A 6 12.273 -0.990 -5.817 1.00 0.00 C ATOM 73 O VAL A 6 13.023 -0.541 -4.953 1.00 0.00 O ATOM 74 CB VAL A 6 13.925 -2.850 -6.101 1.00 0.00 C ATOM 75 CG1 VAL A 6 13.475 -3.788 -4.989 1.00 0.00 C ATOM 76 CG2 VAL A 6 14.713 -3.606 -7.161 1.00 0.00 C ATOM 0 H VAL A 6 13.873 -1.065 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 6 11.907 -2.857 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 6 14.583 -2.097 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.344 -4.287 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 6 12.966 -3.215 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.792 -4.534 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.563 -4.105 -6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.069 -4.349 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.072 -2.906 -7.916 1.00 0.00 H new ATOM 86 N SER A 7 11.059 -0.504 -6.039 1.00 0.00 N ATOM 87 CA SER A 7 10.506 0.572 -5.228 1.00 0.00 C ATOM 88 C SER A 7 9.724 -0.006 -4.053 1.00 0.00 C ATOM 89 O SER A 7 9.079 0.722 -3.300 1.00 0.00 O ATOM 90 CB SER A 7 9.598 1.454 -6.083 1.00 0.00 C ATOM 91 OG SER A 7 9.347 0.843 -7.342 1.00 0.00 O ATOM 0 H SER A 7 10.438 -0.839 -6.775 1.00 0.00 H new ATOM 0 HA SER A 7 11.323 1.179 -4.839 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.656 1.627 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.064 2.428 -6.232 1.00 0.00 H new ATOM 0 HG SER A 7 10.018 1.143 -7.991 1.00 0.00 H new ATOM 97 N GLY A 8 9.789 -1.324 -3.912 1.00 0.00 N ATOM 98 CA GLY A 8 9.075 -1.997 -2.852 1.00 0.00 C ATOM 99 C GLY A 8 9.856 -2.020 -1.555 1.00 0.00 C ATOM 100 O GLY A 8 11.067 -2.256 -1.560 1.00 0.00 O ATOM 0 H GLY A 8 10.329 -1.940 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.119 -1.500 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.854 -3.019 -3.158 1.00 0.00 H new ATOM 104 N PRO A 9 9.186 -1.767 -0.426 1.00 0.00 N ATOM 105 CA PRO A 9 9.810 -1.804 0.901 1.00 0.00 C ATOM 106 C PRO A 9 10.196 -3.220 1.316 1.00 0.00 C ATOM 107 O PRO A 9 9.719 -4.201 0.736 1.00 0.00 O ATOM 108 CB PRO A 9 8.717 -1.258 1.819 1.00 0.00 C ATOM 109 CG PRO A 9 7.451 -1.569 1.109 1.00 0.00 C ATOM 110 CD PRO A 9 7.757 -1.423 -0.353 1.00 0.00 C ATOM 0 HA PRO A 9 10.738 -1.233 0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.749 -1.731 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.830 -0.186 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.112 -2.579 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.655 -0.889 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.149 -2.092 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.567 -0.410 -0.706 1.00 0.00 H new ATOM 118 N THR A 10 11.051 -3.320 2.319 1.00 0.00 N ATOM 119 CA THR A 10 11.545 -4.602 2.787 1.00 0.00 C ATOM 120 C THR A 10 10.489 -5.354 3.598 1.00 0.00 C ATOM 121 O THR A 10 9.436 -4.800 3.928 1.00 0.00 O ATOM 122 CB THR A 10 12.804 -4.387 3.635 1.00 0.00 C ATOM 123 OG1 THR A 10 12.858 -3.016 4.062 1.00 0.00 O ATOM 124 CG2 THR A 10 14.053 -4.722 2.833 1.00 0.00 C ATOM 0 H THR A 10 11.421 -2.518 2.830 1.00 0.00 H new ATOM 0 HA THR A 10 11.785 -5.211 1.915 1.00 0.00 H new ATOM 0 HB THR A 10 12.763 -5.045 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.661 -2.874 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.936 -4.563 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.014 -5.765 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.105 -4.079 1.955 1.00 0.00 H new ATOM 132 N GLU A 11 10.788 -6.612 3.918 1.00 0.00 N ATOM 133 CA GLU A 11 9.856 -7.492 4.627 1.00 0.00 C ATOM 134 C GLU A 11 9.345 -6.847 5.912 1.00 0.00 C ATOM 135 O GLU A 11 8.150 -6.911 6.217 1.00 0.00 O ATOM 136 CB GLU A 11 10.539 -8.816 4.968 1.00 0.00 C ATOM 137 CG GLU A 11 10.773 -9.716 3.769 1.00 0.00 C ATOM 138 CD GLU A 11 11.965 -9.289 2.941 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.103 -9.350 3.449 1.00 0.00 O ATOM 140 OE2 GLU A 11 11.768 -8.882 1.779 1.00 0.00 O ATOM 0 H GLU A 11 11.681 -7.051 3.694 1.00 0.00 H new ATOM 0 HA GLU A 11 9.007 -7.670 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.497 -8.607 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.930 -9.350 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.922 -10.740 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.882 -9.717 3.141 1.00 0.00 H new ATOM 147 N ASP A 12 10.259 -6.228 6.650 1.00 0.00 N ATOM 148 CA ASP A 12 9.931 -5.557 7.907 1.00 0.00 C ATOM 149 C ASP A 12 8.855 -4.501 7.691 1.00 0.00 C ATOM 150 O ASP A 12 7.880 -4.420 8.437 1.00 0.00 O ATOM 151 CB ASP A 12 11.185 -4.899 8.492 1.00 0.00 C ATOM 152 CG ASP A 12 11.489 -5.367 9.899 1.00 0.00 C ATOM 153 OD1 ASP A 12 11.983 -6.505 10.060 1.00 0.00 O ATOM 154 OD2 ASP A 12 11.246 -4.597 10.852 1.00 0.00 O ATOM 0 H ASP A 12 11.246 -6.176 6.397 1.00 0.00 H new ATOM 0 HA ASP A 12 9.553 -6.304 8.605 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.038 -5.117 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.055 -3.817 8.494 1.00 0.00 H new ATOM 159 N GLN A 13 9.033 -3.712 6.642 1.00 0.00 N ATOM 160 CA GLN A 13 8.119 -2.620 6.337 1.00 0.00 C ATOM 161 C GLN A 13 6.803 -3.151 5.800 1.00 0.00 C ATOM 162 O GLN A 13 5.744 -2.587 6.063 1.00 0.00 O ATOM 163 CB GLN A 13 8.749 -1.664 5.330 1.00 0.00 C ATOM 164 CG GLN A 13 9.977 -0.959 5.867 1.00 0.00 C ATOM 165 CD GLN A 13 9.727 -0.326 7.223 1.00 0.00 C ATOM 166 OE1 GLN A 13 10.348 -0.695 8.216 1.00 0.00 O ATOM 167 NE2 GLN A 13 8.802 0.623 7.277 1.00 0.00 N ATOM 0 H GLN A 13 9.806 -3.808 5.984 1.00 0.00 H new ATOM 0 HA GLN A 13 7.920 -2.077 7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.020 -2.219 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.010 -0.919 5.034 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.798 -1.672 5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.290 -0.190 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.308 0.902 6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.585 1.074 8.166 1.00 0.00 H new ATOM 176 N VAL A 14 6.884 -4.235 5.037 1.00 0.00 N ATOM 177 CA VAL A 14 5.703 -4.883 4.481 1.00 0.00 C ATOM 178 C VAL A 14 4.729 -5.267 5.595 1.00 0.00 C ATOM 179 O VAL A 14 3.510 -5.177 5.429 1.00 0.00 O ATOM 180 CB VAL A 14 6.090 -6.135 3.656 1.00 0.00 C ATOM 181 CG1 VAL A 14 4.880 -7.017 3.375 1.00 0.00 C ATOM 182 CG2 VAL A 14 6.754 -5.724 2.351 1.00 0.00 C ATOM 0 H VAL A 14 7.764 -4.687 4.788 1.00 0.00 H new ATOM 0 HA VAL A 14 5.214 -4.173 3.814 1.00 0.00 H new ATOM 0 HB VAL A 14 6.796 -6.716 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.190 -7.886 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.444 -7.348 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.139 -6.450 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.020 -6.615 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.064 -5.114 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.654 -5.148 2.566 1.00 0.00 H new ATOM 192 N GLU A 15 5.278 -5.657 6.740 1.00 0.00 N ATOM 193 CA GLU A 15 4.464 -6.040 7.891 1.00 0.00 C ATOM 194 C GLU A 15 3.673 -4.840 8.408 1.00 0.00 C ATOM 195 O GLU A 15 2.473 -4.934 8.672 1.00 0.00 O ATOM 196 CB GLU A 15 5.350 -6.605 9.004 1.00 0.00 C ATOM 197 CG GLU A 15 4.714 -7.758 9.763 1.00 0.00 C ATOM 198 CD GLU A 15 4.504 -7.440 11.228 1.00 0.00 C ATOM 199 OE1 GLU A 15 5.502 -7.357 11.972 1.00 0.00 O ATOM 200 OE2 GLU A 15 3.337 -7.269 11.646 1.00 0.00 O ATOM 0 H GLU A 15 6.284 -5.717 6.897 1.00 0.00 H new ATOM 0 HA GLU A 15 3.761 -6.811 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.292 -6.942 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.589 -5.807 9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.755 -8.005 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.346 -8.641 9.673 1.00 0.00 H new ATOM 207 N ILE A 16 4.356 -3.712 8.540 1.00 0.00 N ATOM 208 CA ILE A 16 3.729 -2.474 8.990 1.00 0.00 C ATOM 209 C ILE A 16 2.749 -1.958 7.937 1.00 0.00 C ATOM 210 O ILE A 16 1.704 -1.386 8.254 1.00 0.00 O ATOM 211 CB ILE A 16 4.804 -1.397 9.271 1.00 0.00 C ATOM 212 CG1 ILE A 16 5.854 -1.935 10.250 1.00 0.00 C ATOM 213 CG2 ILE A 16 4.181 -0.120 9.814 1.00 0.00 C ATOM 214 CD1 ILE A 16 7.196 -1.245 10.139 1.00 0.00 C ATOM 0 H ILE A 16 5.353 -3.627 8.340 1.00 0.00 H new ATOM 0 HA ILE A 16 3.184 -2.683 9.910 1.00 0.00 H new ATOM 0 HB ILE A 16 5.291 -1.156 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.480 -1.823 11.268 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.988 -3.002 10.075 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.963 0.616 10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.475 0.278 9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.658 -0.338 10.745 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.888 -1.677 10.861 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.592 -1.379 9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.076 -0.181 10.343 1.00 0.00 H new ATOM 226 N LEU A 17 3.095 -2.191 6.682 1.00 0.00 N ATOM 227 CA LEU A 17 2.309 -1.713 5.555 1.00 0.00 C ATOM 228 C LEU A 17 0.995 -2.473 5.417 1.00 0.00 C ATOM 229 O LEU A 17 -0.069 -1.868 5.278 1.00 0.00 O ATOM 230 CB LEU A 17 3.118 -1.852 4.266 1.00 0.00 C ATOM 231 CG LEU A 17 3.492 -0.538 3.588 1.00 0.00 C ATOM 232 CD1 LEU A 17 3.569 0.587 4.599 1.00 0.00 C ATOM 233 CD2 LEU A 17 4.812 -0.675 2.860 1.00 0.00 C ATOM 0 H LEU A 17 3.928 -2.716 6.415 1.00 0.00 H new ATOM 0 HA LEU A 17 2.072 -0.665 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.033 -2.401 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.547 -2.456 3.561 1.00 0.00 H new ATOM 0 HG LEU A 17 2.714 -0.298 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.837 1.514 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.601 0.706 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.325 0.352 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.064 0.272 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.594 -0.942 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.730 -1.454 2.102 1.00 0.00 H new ATOM 245 N GLU A 18 1.080 -3.798 5.448 1.00 0.00 N ATOM 246 CA GLU A 18 -0.087 -4.649 5.255 1.00 0.00 C ATOM 247 C GLU A 18 -1.152 -4.375 6.309 1.00 0.00 C ATOM 248 O GLU A 18 -2.339 -4.309 5.992 1.00 0.00 O ATOM 249 CB GLU A 18 0.313 -6.122 5.271 1.00 0.00 C ATOM 250 CG GLU A 18 0.040 -6.827 3.955 1.00 0.00 C ATOM 251 CD GLU A 18 0.651 -8.207 3.899 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.300 -9.051 4.748 1.00 0.00 O ATOM 253 OE2 GLU A 18 1.486 -8.451 3.006 1.00 0.00 O ATOM 0 H GLU A 18 1.949 -4.308 5.606 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.512 -4.414 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.374 -6.202 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.229 -6.631 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.037 -6.904 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.434 -6.225 3.136 1.00 0.00 H new ATOM 260 N TYR A 19 -0.722 -4.193 7.554 1.00 0.00 N ATOM 261 CA TYR A 19 -1.645 -3.866 8.636 1.00 0.00 C ATOM 262 C TYR A 19 -2.359 -2.549 8.335 1.00 0.00 C ATOM 263 O TYR A 19 -3.569 -2.427 8.529 1.00 0.00 O ATOM 264 CB TYR A 19 -0.895 -3.788 9.980 1.00 0.00 C ATOM 265 CG TYR A 19 -1.268 -2.595 10.842 1.00 0.00 C ATOM 266 CD1 TYR A 19 -2.461 -2.572 11.557 1.00 0.00 C ATOM 267 CD2 TYR A 19 -0.432 -1.489 10.926 1.00 0.00 C ATOM 268 CE1 TYR A 19 -2.809 -1.480 12.325 1.00 0.00 C ATOM 269 CE2 TYR A 19 -0.773 -0.396 11.695 1.00 0.00 C ATOM 270 CZ TYR A 19 -1.963 -0.395 12.389 1.00 0.00 C ATOM 271 OH TYR A 19 -2.312 0.699 13.148 1.00 0.00 O ATOM 0 H TYR A 19 0.255 -4.266 7.838 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.393 -4.656 8.712 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.088 -4.701 10.543 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.176 -3.756 9.782 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.125 -3.422 11.510 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.500 -1.485 10.380 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.740 -1.476 12.873 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.110 0.455 11.753 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.607 1.377 13.088 1.00 0.00 H new ATOM 281 N ASN A 20 -1.604 -1.573 7.839 1.00 0.00 N ATOM 282 CA ASN A 20 -2.158 -0.255 7.572 1.00 0.00 C ATOM 283 C ASN A 20 -3.160 -0.312 6.433 1.00 0.00 C ATOM 284 O ASN A 20 -4.286 0.146 6.576 1.00 0.00 O ATOM 285 CB ASN A 20 -1.054 0.757 7.256 1.00 0.00 C ATOM 286 CG ASN A 20 -0.892 1.779 8.365 1.00 0.00 C ATOM 287 OD1 ASN A 20 -1.832 2.494 8.709 1.00 0.00 O ATOM 288 ND2 ASN A 20 0.301 1.849 8.937 1.00 0.00 N ATOM 0 H ASN A 20 -0.614 -1.671 7.616 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.674 0.075 8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.111 0.231 7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.286 1.268 6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.466 2.514 9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.054 1.238 8.622 1.00 0.00 H new ATOM 295 N PHE A 21 -2.757 -0.899 5.310 1.00 0.00 N ATOM 296 CA PHE A 21 -3.641 -1.005 4.152 1.00 0.00 C ATOM 297 C PHE A 21 -4.918 -1.751 4.519 1.00 0.00 C ATOM 298 O PHE A 21 -6.014 -1.353 4.118 1.00 0.00 O ATOM 299 CB PHE A 21 -2.929 -1.708 2.990 1.00 0.00 C ATOM 300 CG PHE A 21 -3.659 -1.613 1.673 1.00 0.00 C ATOM 301 CD1 PHE A 21 -4.696 -2.482 1.361 1.00 0.00 C ATOM 302 CD2 PHE A 21 -3.303 -0.650 0.747 1.00 0.00 C ATOM 303 CE1 PHE A 21 -5.358 -2.383 0.150 1.00 0.00 C ATOM 304 CE2 PHE A 21 -3.959 -0.548 -0.460 1.00 0.00 C ATOM 305 CZ PHE A 21 -4.987 -1.413 -0.761 1.00 0.00 C ATOM 0 H PHE A 21 -1.831 -1.306 5.177 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.908 0.003 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.934 -1.278 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.794 -2.759 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.989 -3.242 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.498 0.033 0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.164 -3.063 -0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.667 0.211 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.502 -1.333 -1.707 1.00 0.00 H new ATOM 315 N ASN A 22 -4.770 -2.814 5.300 1.00 0.00 N ATOM 316 CA ASN A 22 -5.903 -3.633 5.720 1.00 0.00 C ATOM 317 C ASN A 22 -6.901 -2.813 6.533 1.00 0.00 C ATOM 318 O ASN A 22 -8.112 -2.924 6.346 1.00 0.00 O ATOM 319 CB ASN A 22 -5.417 -4.820 6.553 1.00 0.00 C ATOM 320 CG ASN A 22 -6.061 -6.127 6.133 1.00 0.00 C ATOM 321 OD1 ASN A 22 -7.259 -6.187 5.873 1.00 0.00 O ATOM 322 ND2 ASN A 22 -5.265 -7.183 6.067 1.00 0.00 N ATOM 0 H ASN A 22 -3.869 -3.132 5.658 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.403 -3.999 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.334 -4.906 6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.633 -4.634 7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.642 -8.090 5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.274 -7.090 6.291 1.00 0.00 H new ATOM 329 N LYS A 23 -6.381 -1.975 7.420 1.00 0.00 N ATOM 330 CA LYS A 23 -7.214 -1.149 8.287 1.00 0.00 C ATOM 331 C LYS A 23 -7.576 0.173 7.615 1.00 0.00 C ATOM 332 O LYS A 23 -8.221 1.031 8.219 1.00 0.00 O ATOM 333 CB LYS A 23 -6.485 -0.872 9.606 1.00 0.00 C ATOM 334 CG LYS A 23 -6.950 -1.747 10.758 1.00 0.00 C ATOM 335 CD LYS A 23 -6.118 -3.013 10.866 1.00 0.00 C ATOM 336 CE LYS A 23 -6.887 -4.125 11.557 1.00 0.00 C ATOM 337 NZ LYS A 23 -6.514 -4.256 12.991 1.00 0.00 N ATOM 0 H LYS A 23 -5.379 -1.848 7.559 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.136 -1.696 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.415 -1.021 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.627 0.174 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.885 -1.187 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.998 -2.010 10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.819 -3.340 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.203 -2.803 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.956 -3.929 11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.697 -5.069 11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.063 -5.026 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.499 -4.469 13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.719 -3.365 13.486 1.00 0.00 H new ATOM 351 N VAL A 24 -7.160 0.341 6.367 1.00 0.00 N ATOM 352 CA VAL A 24 -7.382 1.593 5.663 1.00 0.00 C ATOM 353 C VAL A 24 -8.323 1.413 4.466 1.00 0.00 C ATOM 354 O VAL A 24 -9.465 1.871 4.505 1.00 0.00 O ATOM 355 CB VAL A 24 -6.041 2.211 5.194 1.00 0.00 C ATOM 356 CG1 VAL A 24 -6.241 3.123 4.002 1.00 0.00 C ATOM 357 CG2 VAL A 24 -5.367 2.967 6.324 1.00 0.00 C ATOM 0 H VAL A 24 -6.670 -0.371 5.825 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.858 2.275 6.368 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.393 1.389 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.281 3.540 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.667 2.554 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.919 3.932 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.428 3.391 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.021 3.769 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.167 2.285 7.150 1.00 0.00 H new ATOM 367 N ASN A 25 -7.831 0.742 3.416 1.00 0.00 N ATOM 368 CA ASN A 25 -8.566 0.600 2.147 1.00 0.00 C ATOM 369 C ASN A 25 -8.840 1.973 1.539 1.00 0.00 C ATOM 370 O ASN A 25 -9.808 2.643 1.899 1.00 0.00 O ATOM 371 CB ASN A 25 -9.881 -0.166 2.339 1.00 0.00 C ATOM 372 CG ASN A 25 -9.660 -1.638 2.620 1.00 0.00 C ATOM 373 OD1 ASN A 25 -8.662 -1.934 3.429 1.00 0.00 O flip ATOM 374 ND2 ASN A 25 -10.369 -2.497 2.107 1.00 0.00 N flip ATOM 0 H ASN A 25 -6.919 0.285 3.419 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.942 0.024 1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.439 0.278 3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.494 -0.058 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.131 -2.225 1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.196 -3.483 2.301 1.00 0.00 H new ATOM 381 N LYS A 26 -7.986 2.396 0.616 1.00 0.00 N ATOM 382 CA LYS A 26 -8.040 3.746 0.104 1.00 0.00 C ATOM 383 C LYS A 26 -7.973 3.769 -1.415 1.00 0.00 C ATOM 384 O LYS A 26 -8.268 2.789 -2.095 1.00 0.00 O ATOM 385 CB LYS A 26 -6.878 4.569 0.681 1.00 0.00 C ATOM 386 CG LYS A 26 -5.581 3.781 0.830 1.00 0.00 C ATOM 387 CD LYS A 26 -4.663 3.957 -0.369 1.00 0.00 C ATOM 388 CE LYS A 26 -3.450 4.806 -0.022 1.00 0.00 C ATOM 389 NZ LYS A 26 -3.555 6.186 -0.573 1.00 0.00 N ATOM 0 H LYS A 26 -7.250 1.818 0.211 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.991 4.182 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.698 5.429 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.170 4.958 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.063 4.104 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.813 2.723 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.335 2.980 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.214 4.424 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.341 4.856 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.551 4.328 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.604 6.546 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.128 6.171 -1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.006 6.807 0.129 1.00 0.00 H new ATOM 403 N HIS A 27 -7.568 4.916 -1.908 1.00 0.00 N ATOM 404 CA HIS A 27 -7.381 5.177 -3.325 1.00 0.00 C ATOM 405 C HIS A 27 -6.112 6.017 -3.464 1.00 0.00 C ATOM 406 O HIS A 27 -5.451 6.261 -2.455 1.00 0.00 O ATOM 407 CB HIS A 27 -8.597 5.933 -3.879 1.00 0.00 C ATOM 408 CG HIS A 27 -9.513 5.087 -4.702 1.00 0.00 C ATOM 409 ND1 HIS A 27 -9.845 5.388 -6.003 1.00 0.00 N ATOM 410 CD2 HIS A 27 -10.164 3.940 -4.405 1.00 0.00 C ATOM 411 CE1 HIS A 27 -10.660 4.463 -6.469 1.00 0.00 C ATOM 412 NE2 HIS A 27 -10.871 3.572 -5.521 1.00 0.00 N ATOM 0 H HIS A 27 -7.352 5.721 -1.320 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.284 4.249 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.159 6.356 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.248 6.769 -4.485 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.133 3.412 -3.464 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.084 4.439 -7.462 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.463 2.745 -5.604 1.00 0.00 H new ATOM 421 N PRO A 28 -5.708 6.434 -4.679 1.00 0.00 N ATOM 422 CA PRO A 28 -4.630 7.420 -4.837 1.00 0.00 C ATOM 423 C PRO A 28 -4.906 8.683 -4.014 1.00 0.00 C ATOM 424 O PRO A 28 -5.700 9.536 -4.414 1.00 0.00 O ATOM 425 CB PRO A 28 -4.644 7.730 -6.336 1.00 0.00 C ATOM 426 CG PRO A 28 -5.219 6.510 -6.965 1.00 0.00 C ATOM 427 CD PRO A 28 -6.216 5.961 -5.981 1.00 0.00 C ATOM 0 HA PRO A 28 -3.667 7.049 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.248 8.611 -6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.640 7.933 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.700 6.751 -7.913 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.440 5.778 -7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.222 6.332 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.264 4.873 -6.022 1.00 0.00 H new ATOM 435 N ASP A 29 -4.255 8.784 -2.861 1.00 0.00 N ATOM 436 CA ASP A 29 -4.508 9.871 -1.925 1.00 0.00 C ATOM 437 C ASP A 29 -3.259 10.182 -1.114 1.00 0.00 C ATOM 438 O ASP A 29 -2.549 9.277 -0.665 1.00 0.00 O ATOM 439 CB ASP A 29 -5.687 9.534 -0.995 1.00 0.00 C ATOM 440 CG ASP A 29 -5.269 9.133 0.414 1.00 0.00 C ATOM 441 OD1 ASP A 29 -5.002 7.935 0.647 1.00 0.00 O ATOM 442 OD2 ASP A 29 -5.210 10.011 1.302 1.00 0.00 O ATOM 0 H ASP A 29 -3.544 8.121 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.774 10.757 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.348 10.399 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.264 8.722 -1.437 1.00 0.00 H new ATOM 447 N PRO A 30 -2.965 11.474 -0.964 1.00 0.00 N ATOM 448 CA PRO A 30 -1.816 11.964 -0.210 1.00 0.00 C ATOM 449 C PRO A 30 -2.057 11.960 1.297 1.00 0.00 C ATOM 450 O PRO A 30 -1.153 11.655 2.071 1.00 0.00 O ATOM 451 CB PRO A 30 -1.635 13.406 -0.722 1.00 0.00 C ATOM 452 CG PRO A 30 -2.662 13.595 -1.800 1.00 0.00 C ATOM 453 CD PRO A 30 -3.731 12.580 -1.536 1.00 0.00 C ATOM 0 HA PRO A 30 -0.940 11.332 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.778 14.127 0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.628 13.558 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.070 14.606 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.222 13.451 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.487 12.954 -0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.250 12.288 -2.449 1.00 0.00 H new ATOM 461 N THR A 31 -3.290 12.271 1.695 1.00 0.00 N ATOM 462 CA THR A 31 -3.634 12.500 3.096 1.00 0.00 C ATOM 463 C THR A 31 -3.230 11.336 4.000 1.00 0.00 C ATOM 464 O THR A 31 -2.570 11.533 5.023 1.00 0.00 O ATOM 465 CB THR A 31 -5.143 12.748 3.244 1.00 0.00 C ATOM 466 OG1 THR A 31 -5.803 12.474 1.997 1.00 0.00 O ATOM 467 CG2 THR A 31 -5.417 14.183 3.661 1.00 0.00 C ATOM 0 H THR A 31 -4.078 12.371 1.055 1.00 0.00 H new ATOM 0 HA THR A 31 -3.073 13.380 3.411 1.00 0.00 H new ATOM 0 HB THR A 31 -5.527 12.083 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.829 11.506 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.492 14.334 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.933 14.383 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.022 14.863 2.906 1.00 0.00 H new ATOM 475 N THR A 32 -3.605 10.128 3.611 1.00 0.00 N ATOM 476 CA THR A 32 -3.312 8.946 4.408 1.00 0.00 C ATOM 477 C THR A 32 -1.815 8.636 4.422 1.00 0.00 C ATOM 478 O THR A 32 -1.291 8.098 5.395 1.00 0.00 O ATOM 479 CB THR A 32 -4.080 7.719 3.874 1.00 0.00 C ATOM 480 OG1 THR A 32 -5.378 8.116 3.398 1.00 0.00 O ATOM 481 CG2 THR A 32 -4.234 6.663 4.956 1.00 0.00 C ATOM 0 H THR A 32 -4.114 9.939 2.747 1.00 0.00 H new ATOM 0 HA THR A 32 -3.635 9.160 5.427 1.00 0.00 H new ATOM 0 HB THR A 32 -3.507 7.293 3.051 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.857 7.331 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.779 5.808 4.555 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.249 6.340 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.785 7.082 5.798 1.00 0.00 H new ATOM 489 N LEU A 33 -1.129 9.014 3.352 1.00 0.00 N ATOM 490 CA LEU A 33 0.267 8.642 3.160 1.00 0.00 C ATOM 491 C LEU A 33 1.191 9.310 4.173 1.00 0.00 C ATOM 492 O LEU A 33 2.081 8.659 4.719 1.00 0.00 O ATOM 493 CB LEU A 33 0.717 8.989 1.742 1.00 0.00 C ATOM 494 CG LEU A 33 1.735 8.024 1.138 1.00 0.00 C ATOM 495 CD1 LEU A 33 1.038 6.781 0.604 1.00 0.00 C ATOM 496 CD2 LEU A 33 2.535 8.711 0.042 1.00 0.00 C ATOM 0 H LEU A 33 -1.519 9.581 2.599 1.00 0.00 H new ATOM 0 HA LEU A 33 0.334 7.565 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.160 9.021 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.146 9.991 1.747 1.00 0.00 H new ATOM 0 HG LEU A 33 2.428 7.715 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.778 6.104 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.514 6.280 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.322 7.068 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.256 8.009 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.860 9.050 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.064 9.567 0.460 1.00 0.00 H new ATOM 508 N CYS A 34 0.973 10.597 4.427 1.00 0.00 N ATOM 509 CA CYS A 34 1.848 11.368 5.311 1.00 0.00 C ATOM 510 C CYS A 34 2.012 10.707 6.678 1.00 0.00 C ATOM 511 O CYS A 34 3.129 10.569 7.180 1.00 0.00 O ATOM 512 CB CYS A 34 1.308 12.791 5.486 1.00 0.00 C ATOM 513 SG CYS A 34 -0.102 13.181 4.426 1.00 0.00 S ATOM 0 H CYS A 34 0.198 11.130 4.034 1.00 0.00 H new ATOM 0 HA CYS A 34 2.830 11.404 4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.016 12.932 6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.110 13.500 5.281 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.083 12.371 4.693 1.00 0.00 H new ATOM 519 N LEU A 35 0.903 10.281 7.269 1.00 0.00 N ATOM 520 CA LEU A 35 0.937 9.718 8.610 1.00 0.00 C ATOM 521 C LEU A 35 1.481 8.291 8.604 1.00 0.00 C ATOM 522 O LEU A 35 2.337 7.947 9.416 1.00 0.00 O ATOM 523 CB LEU A 35 -0.454 9.754 9.251 1.00 0.00 C ATOM 524 CG LEU A 35 -1.625 9.492 8.302 1.00 0.00 C ATOM 525 CD1 LEU A 35 -2.351 8.217 8.699 1.00 0.00 C ATOM 526 CD2 LEU A 35 -2.585 10.671 8.304 1.00 0.00 C ATOM 0 H LEU A 35 -0.024 10.314 6.844 1.00 0.00 H new ATOM 0 HA LEU A 35 1.612 10.333 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.485 9.014 10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.596 10.730 9.714 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.232 9.369 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.182 8.043 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.660 7.375 8.652 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.733 8.317 9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.412 10.468 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.973 10.823 9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.059 11.569 7.978 1.00 0.00 H new ATOM 538 N ILE A 36 1.006 7.467 7.672 1.00 0.00 N ATOM 539 CA ILE A 36 1.391 6.057 7.645 1.00 0.00 C ATOM 540 C ILE A 36 2.870 5.883 7.306 1.00 0.00 C ATOM 541 O ILE A 36 3.517 4.959 7.795 1.00 0.00 O ATOM 542 CB ILE A 36 0.534 5.232 6.657 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.708 5.736 5.224 1.00 0.00 C ATOM 544 CG2 ILE A 36 -0.931 5.271 7.067 1.00 0.00 C ATOM 545 CD1 ILE A 36 -0.045 4.918 4.202 1.00 0.00 C ATOM 0 H ILE A 36 0.361 7.747 6.933 1.00 0.00 H new ATOM 0 HA ILE A 36 1.211 5.678 8.651 1.00 0.00 H new ATOM 0 HB ILE A 36 0.877 4.198 6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.372 6.771 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.768 5.731 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.522 4.686 6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.040 4.852 8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.282 6.303 7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.124 5.332 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.307 3.887 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.111 4.943 4.429 1.00 0.00 H new ATOM 557 N ALA A 37 3.405 6.778 6.480 1.00 0.00 N ATOM 558 CA ALA A 37 4.817 6.739 6.134 1.00 0.00 C ATOM 559 C ALA A 37 5.668 7.041 7.361 1.00 0.00 C ATOM 560 O ALA A 37 6.684 6.387 7.604 1.00 0.00 O ATOM 561 CB ALA A 37 5.121 7.727 5.019 1.00 0.00 C ATOM 0 H ALA A 37 2.882 7.535 6.041 1.00 0.00 H new ATOM 0 HA ALA A 37 5.060 5.737 5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.182 7.684 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.534 7.472 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.865 8.735 5.346 1.00 0.00 H new ATOM 567 N ALA A 38 5.227 8.019 8.143 1.00 0.00 N ATOM 568 CA ALA A 38 5.913 8.382 9.373 1.00 0.00 C ATOM 569 C ALA A 38 5.790 7.266 10.405 1.00 0.00 C ATOM 570 O ALA A 38 6.750 6.945 11.105 1.00 0.00 O ATOM 571 CB ALA A 38 5.357 9.686 9.928 1.00 0.00 C ATOM 0 H ALA A 38 4.395 8.575 7.945 1.00 0.00 H new ATOM 0 HA ALA A 38 6.970 8.526 9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.882 9.943 10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.497 10.482 9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.294 9.568 10.137 1.00 0.00 H new ATOM 577 N GLU A 39 4.605 6.669 10.485 1.00 0.00 N ATOM 578 CA GLU A 39 4.357 5.579 11.421 1.00 0.00 C ATOM 579 C GLU A 39 5.164 4.335 11.056 1.00 0.00 C ATOM 580 O GLU A 39 5.528 3.547 11.928 1.00 0.00 O ATOM 581 CB GLU A 39 2.869 5.240 11.458 1.00 0.00 C ATOM 582 CG GLU A 39 2.026 6.290 12.159 1.00 0.00 C ATOM 583 CD GLU A 39 2.028 6.128 13.664 1.00 0.00 C ATOM 584 OE1 GLU A 39 3.060 6.434 14.299 1.00 0.00 O ATOM 585 OE2 GLU A 39 0.995 5.699 14.223 1.00 0.00 O ATOM 0 H GLU A 39 3.800 6.923 9.912 1.00 0.00 H new ATOM 0 HA GLU A 39 4.675 5.912 12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.507 5.117 10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.735 4.282 11.961 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.400 7.281 11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.001 6.232 11.792 1.00 0.00 H new ATOM 592 N ALA A 40 5.430 4.156 9.768 1.00 0.00 N ATOM 593 CA ALA A 40 6.239 3.037 9.301 1.00 0.00 C ATOM 594 C ALA A 40 7.722 3.376 9.377 1.00 0.00 C ATOM 595 O ALA A 40 8.569 2.485 9.433 1.00 0.00 O ATOM 596 CB ALA A 40 5.854 2.657 7.880 1.00 0.00 C ATOM 0 H ALA A 40 5.097 4.773 9.027 1.00 0.00 H new ATOM 0 HA ALA A 40 6.048 2.183 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.468 1.820 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.803 2.369 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.014 3.509 7.219 1.00 0.00 H new ATOM 602 N GLY A 41 8.025 4.670 9.381 1.00 0.00 N ATOM 603 CA GLY A 41 9.403 5.115 9.452 1.00 0.00 C ATOM 604 C GLY A 41 10.139 4.908 8.144 1.00 0.00 C ATOM 605 O GLY A 41 11.348 4.679 8.132 1.00 0.00 O ATOM 0 H GLY A 41 7.336 5.421 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.429 6.172 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.917 4.574 10.246 1.00 0.00 H new ATOM 609 N LEU A 42 9.414 5.002 7.039 1.00 0.00 N ATOM 610 CA LEU A 42 9.979 4.741 5.730 1.00 0.00 C ATOM 611 C LEU A 42 9.531 5.827 4.753 1.00 0.00 C ATOM 612 O LEU A 42 8.599 6.580 5.047 1.00 0.00 O ATOM 613 CB LEU A 42 9.556 3.336 5.282 1.00 0.00 C ATOM 614 CG LEU A 42 9.057 3.190 3.849 1.00 0.00 C ATOM 615 CD1 LEU A 42 10.165 2.638 2.967 1.00 0.00 C ATOM 616 CD2 LEU A 42 7.839 2.281 3.802 1.00 0.00 C ATOM 0 H LEU A 42 8.427 5.259 7.027 1.00 0.00 H new ATOM 0 HA LEU A 42 11.068 4.769 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.406 2.667 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.770 2.989 5.952 1.00 0.00 H new ATOM 0 HG LEU A 42 8.767 4.172 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.800 2.537 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.016 3.319 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.475 1.662 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.495 2.187 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.105 1.297 4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.043 2.707 4.413 1.00 0.00 H new ATOM 628 N THR A 43 10.190 5.913 3.603 1.00 0.00 N ATOM 629 CA THR A 43 9.959 7.009 2.676 1.00 0.00 C ATOM 630 C THR A 43 8.619 6.877 1.951 1.00 0.00 C ATOM 631 O THR A 43 8.102 5.773 1.749 1.00 0.00 O ATOM 632 CB THR A 43 11.090 7.116 1.641 1.00 0.00 C ATOM 633 OG1 THR A 43 11.584 5.813 1.316 1.00 0.00 O ATOM 634 CG2 THR A 43 12.227 7.976 2.167 1.00 0.00 C ATOM 0 H THR A 43 10.887 5.236 3.293 1.00 0.00 H new ATOM 0 HA THR A 43 9.937 7.918 3.277 1.00 0.00 H new ATOM 0 HB THR A 43 10.685 7.585 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.303 5.891 0.655 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.015 8.036 1.416 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.855 8.977 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.627 7.532 3.078 1.00 0.00 H new ATOM 642 N GLU A 44 8.081 8.018 1.551 1.00 0.00 N ATOM 643 CA GLU A 44 6.771 8.098 0.919 1.00 0.00 C ATOM 644 C GLU A 44 6.702 7.294 -0.377 1.00 0.00 C ATOM 645 O GLU A 44 5.723 6.595 -0.618 1.00 0.00 O ATOM 646 CB GLU A 44 6.450 9.555 0.624 1.00 0.00 C ATOM 647 CG GLU A 44 5.586 10.220 1.681 1.00 0.00 C ATOM 648 CD GLU A 44 5.523 11.722 1.516 1.00 0.00 C ATOM 649 OE1 GLU A 44 4.826 12.197 0.592 1.00 0.00 O ATOM 650 OE2 GLU A 44 6.182 12.437 2.298 1.00 0.00 O ATOM 0 H GLU A 44 8.543 8.921 1.656 1.00 0.00 H new ATOM 0 HA GLU A 44 6.043 7.672 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.383 10.111 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.942 9.618 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.577 9.810 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.979 9.982 2.669 1.00 0.00 H new ATOM 657 N GLU A 45 7.739 7.408 -1.202 1.00 0.00 N ATOM 658 CA GLU A 45 7.767 6.766 -2.522 1.00 0.00 C ATOM 659 C GLU A 45 7.456 5.273 -2.433 1.00 0.00 C ATOM 660 O GLU A 45 6.602 4.765 -3.160 1.00 0.00 O ATOM 661 CB GLU A 45 9.130 6.966 -3.192 1.00 0.00 C ATOM 662 CG GLU A 45 9.602 8.410 -3.206 1.00 0.00 C ATOM 663 CD GLU A 45 10.344 8.790 -1.943 1.00 0.00 C ATOM 664 OE1 GLU A 45 11.560 8.524 -1.859 1.00 0.00 O ATOM 665 OE2 GLU A 45 9.709 9.347 -1.026 1.00 0.00 O ATOM 0 H GLU A 45 8.579 7.942 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 45 6.993 7.241 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.871 6.357 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.077 6.601 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.252 8.568 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.742 9.069 -3.331 1.00 0.00 H new ATOM 672 N GLN A 46 8.137 4.584 -1.528 1.00 0.00 N ATOM 673 CA GLN A 46 7.950 3.146 -1.364 1.00 0.00 C ATOM 674 C GLN A 46 6.555 2.846 -0.826 1.00 0.00 C ATOM 675 O GLN A 46 5.865 1.954 -1.321 1.00 0.00 O ATOM 676 CB GLN A 46 9.012 2.572 -0.423 1.00 0.00 C ATOM 677 CG GLN A 46 10.360 3.270 -0.523 1.00 0.00 C ATOM 678 CD GLN A 46 11.527 2.306 -0.406 1.00 0.00 C ATOM 679 OE1 GLN A 46 11.394 1.214 0.144 1.00 0.00 O ATOM 680 NE2 GLN A 46 12.680 2.701 -0.922 1.00 0.00 N ATOM 0 H GLN A 46 8.824 4.995 -0.896 1.00 0.00 H new ATOM 0 HA GLN A 46 8.056 2.674 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.652 2.643 0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.144 1.512 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.423 3.796 -1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.435 4.022 0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.752 3.614 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.497 2.092 -0.871 1.00 0.00 H new ATOM 689 N THR A 47 6.146 3.607 0.180 1.00 0.00 N ATOM 690 CA THR A 47 4.826 3.461 0.776 1.00 0.00 C ATOM 691 C THR A 47 3.725 3.685 -0.261 1.00 0.00 C ATOM 692 O THR A 47 2.772 2.912 -0.351 1.00 0.00 O ATOM 693 CB THR A 47 4.646 4.458 1.939 1.00 0.00 C ATOM 694 OG1 THR A 47 5.873 4.577 2.672 1.00 0.00 O ATOM 695 CG2 THR A 47 3.539 4.011 2.880 1.00 0.00 C ATOM 0 H THR A 47 6.716 4.339 0.604 1.00 0.00 H new ATOM 0 HA THR A 47 4.746 2.443 1.156 1.00 0.00 H new ATOM 0 HB THR A 47 4.371 5.424 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.455 5.231 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.436 4.734 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.600 3.944 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.787 3.034 3.295 1.00 0.00 H new ATOM 703 N GLN A 48 3.877 4.733 -1.058 1.00 0.00 N ATOM 704 CA GLN A 48 2.887 5.087 -2.064 1.00 0.00 C ATOM 705 C GLN A 48 2.794 4.016 -3.140 1.00 0.00 C ATOM 706 O GLN A 48 1.698 3.618 -3.540 1.00 0.00 O ATOM 707 CB GLN A 48 3.236 6.428 -2.700 1.00 0.00 C ATOM 708 CG GLN A 48 2.028 7.163 -3.239 1.00 0.00 C ATOM 709 CD GLN A 48 2.201 7.582 -4.682 1.00 0.00 C ATOM 710 OE1 GLN A 48 2.481 8.744 -4.974 1.00 0.00 O ATOM 711 NE2 GLN A 48 2.046 6.635 -5.592 1.00 0.00 N ATOM 0 H GLN A 48 4.683 5.357 -1.026 1.00 0.00 H new ATOM 0 HA GLN A 48 1.919 5.164 -1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.735 7.055 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.946 6.265 -3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.149 6.524 -3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.841 8.046 -2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.814 5.684 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.159 6.855 -6.582 1.00 0.00 H new ATOM 720 N LYS A 49 3.947 3.563 -3.610 1.00 0.00 N ATOM 721 CA LYS A 49 4.005 2.531 -4.633 1.00 0.00 C ATOM 722 C LYS A 49 3.399 1.230 -4.118 1.00 0.00 C ATOM 723 O LYS A 49 2.629 0.574 -4.820 1.00 0.00 O ATOM 724 CB LYS A 49 5.449 2.302 -5.081 1.00 0.00 C ATOM 725 CG LYS A 49 5.579 1.363 -6.271 1.00 0.00 C ATOM 726 CD LYS A 49 5.950 2.112 -7.543 1.00 0.00 C ATOM 727 CE LYS A 49 6.468 1.164 -8.615 1.00 0.00 C ATOM 728 NZ LYS A 49 6.638 1.840 -9.929 1.00 0.00 N ATOM 0 H LYS A 49 4.859 3.896 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 49 3.423 2.867 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.897 3.262 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.019 1.896 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.337 0.609 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.638 0.834 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.078 2.647 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.711 2.860 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.423 0.746 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.776 0.329 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.556 1.139 -10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.902 2.565 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.575 2.289 -9.970 1.00 0.00 H new ATOM 742 N TRP A 50 3.739 0.873 -2.886 1.00 0.00 N ATOM 743 CA TRP A 50 3.242 -0.352 -2.279 1.00 0.00 C ATOM 744 C TRP A 50 1.725 -0.307 -2.107 1.00 0.00 C ATOM 745 O TRP A 50 1.021 -1.252 -2.475 1.00 0.00 O ATOM 746 CB TRP A 50 3.917 -0.590 -0.923 1.00 0.00 C ATOM 747 CG TRP A 50 3.537 -1.901 -0.301 1.00 0.00 C ATOM 748 CD1 TRP A 50 4.213 -3.080 -0.390 1.00 0.00 C ATOM 749 CD2 TRP A 50 2.382 -2.163 0.503 1.00 0.00 C ATOM 750 NE1 TRP A 50 3.544 -4.058 0.302 1.00 0.00 N ATOM 751 CE2 TRP A 50 2.415 -3.522 0.854 1.00 0.00 C ATOM 752 CE3 TRP A 50 1.322 -1.379 0.955 1.00 0.00 C ATOM 753 CZ2 TRP A 50 1.427 -4.111 1.634 1.00 0.00 C ATOM 754 CZ3 TRP A 50 0.345 -1.961 1.729 1.00 0.00 C ATOM 755 CH2 TRP A 50 0.399 -3.318 2.060 1.00 0.00 C ATOM 0 H TRP A 50 4.359 1.418 -2.287 1.00 0.00 H new ATOM 0 HA TRP A 50 3.486 -1.178 -2.947 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.999 -0.555 -1.051 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.650 0.219 -0.243 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.139 -3.224 -0.926 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.842 -5.030 0.390 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.268 -0.331 0.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.470 -5.158 1.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.477 -1.359 2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.387 -3.748 2.664 1.00 0.00 H new ATOM 766 N PHE A 51 1.219 0.789 -1.551 1.00 0.00 N ATOM 767 CA PHE A 51 -0.213 0.921 -1.301 1.00 0.00 C ATOM 768 C PHE A 51 -0.989 0.934 -2.618 1.00 0.00 C ATOM 769 O PHE A 51 -2.150 0.537 -2.668 1.00 0.00 O ATOM 770 CB PHE A 51 -0.510 2.187 -0.490 1.00 0.00 C ATOM 771 CG PHE A 51 -0.469 1.972 1.002 1.00 0.00 C ATOM 772 CD1 PHE A 51 0.740 1.899 1.668 1.00 0.00 C ATOM 773 CD2 PHE A 51 -1.638 1.835 1.739 1.00 0.00 C ATOM 774 CE1 PHE A 51 0.786 1.694 3.033 1.00 0.00 C ATOM 775 CE2 PHE A 51 -1.597 1.632 3.104 1.00 0.00 C ATOM 776 CZ PHE A 51 -0.383 1.560 3.752 1.00 0.00 C ATOM 0 H PHE A 51 1.775 1.595 -1.266 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.537 0.059 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.213 2.958 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.495 2.563 -0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.661 2.004 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.593 1.888 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.739 1.639 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.515 1.530 3.663 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.347 1.399 4.819 1.00 0.00 H new ATOM 786 N LYS A 52 -0.337 1.384 -3.683 1.00 0.00 N ATOM 787 CA LYS A 52 -0.941 1.365 -5.009 1.00 0.00 C ATOM 788 C LYS A 52 -0.904 -0.047 -5.589 1.00 0.00 C ATOM 789 O LYS A 52 -1.808 -0.457 -6.319 1.00 0.00 O ATOM 790 CB LYS A 52 -0.216 2.338 -5.942 1.00 0.00 C ATOM 791 CG LYS A 52 -1.049 2.771 -7.138 1.00 0.00 C ATOM 792 CD LYS A 52 -1.164 4.284 -7.222 1.00 0.00 C ATOM 793 CE LYS A 52 -0.514 4.822 -8.487 1.00 0.00 C ATOM 794 NZ LYS A 52 -1.469 4.871 -9.625 1.00 0.00 N ATOM 0 H LYS A 52 0.608 1.766 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.981 1.680 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.077 3.222 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.701 1.870 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.598 2.389 -8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.045 2.333 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.215 4.572 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.692 4.735 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.124 5.822 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.336 4.194 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.986 5.243 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.822 3.913 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.268 5.491 -9.381 1.00 0.00 H new ATOM 808 N GLN A 53 0.145 -0.786 -5.253 1.00 0.00 N ATOM 809 CA GLN A 53 0.300 -2.160 -5.714 1.00 0.00 C ATOM 810 C GLN A 53 -0.816 -3.041 -5.158 1.00 0.00 C ATOM 811 O GLN A 53 -1.463 -3.778 -5.902 1.00 0.00 O ATOM 812 CB GLN A 53 1.678 -2.702 -5.304 1.00 0.00 C ATOM 813 CG GLN A 53 1.697 -4.193 -4.980 1.00 0.00 C ATOM 814 CD GLN A 53 3.098 -4.728 -4.764 1.00 0.00 C ATOM 815 OE1 GLN A 53 3.841 -4.228 -3.920 1.00 0.00 O ATOM 816 NE2 GLN A 53 3.466 -5.750 -5.520 1.00 0.00 N ATOM 0 H GLN A 53 0.905 -0.455 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 53 0.232 -2.175 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.386 -2.509 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.028 -2.149 -4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.102 -4.373 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.224 -4.743 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.819 -6.135 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.397 -6.153 -5.415 1.00 0.00 H new ATOM 825 N ARG A 54 -1.058 -2.940 -3.853 1.00 0.00 N ATOM 826 CA ARG A 54 -2.097 -3.739 -3.213 1.00 0.00 C ATOM 827 C ARG A 54 -3.474 -3.308 -3.698 1.00 0.00 C ATOM 828 O ARG A 54 -4.417 -4.092 -3.686 1.00 0.00 O ATOM 829 CB ARG A 54 -2.024 -3.622 -1.688 1.00 0.00 C ATOM 830 CG ARG A 54 -0.653 -3.931 -1.108 1.00 0.00 C ATOM 831 CD ARG A 54 -0.128 -5.285 -1.568 1.00 0.00 C ATOM 832 NE ARG A 54 0.192 -6.187 -0.460 1.00 0.00 N ATOM 833 CZ ARG A 54 0.328 -7.510 -0.600 1.00 0.00 C ATOM 834 NH1 ARG A 54 0.096 -8.081 -1.776 1.00 0.00 N ATOM 835 NH2 ARG A 54 0.675 -8.268 0.436 1.00 0.00 N ATOM 0 H ARG A 54 -0.552 -2.317 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.931 -4.781 -3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.310 -2.611 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.755 -4.300 -1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.049 -3.151 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.708 -3.915 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.873 -5.757 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.765 -5.134 -2.174 1.00 0.00 H new ATOM 0 HE ARG A 54 0.318 -5.785 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.186 -7.511 -2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.200 -9.090 -1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.840 -7.841 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.776 -9.276 0.319 1.00 0.00 H new ATOM 849 N LEU A 55 -3.571 -2.060 -4.137 1.00 0.00 N ATOM 850 CA LEU A 55 -4.824 -1.511 -4.646 1.00 0.00 C ATOM 851 C LEU A 55 -5.278 -2.255 -5.899 1.00 0.00 C ATOM 852 O LEU A 55 -6.471 -2.508 -6.084 1.00 0.00 O ATOM 853 CB LEU A 55 -4.655 -0.025 -4.964 1.00 0.00 C ATOM 854 CG LEU A 55 -5.880 0.844 -4.693 1.00 0.00 C ATOM 855 CD1 LEU A 55 -5.583 1.848 -3.594 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.316 1.555 -5.963 1.00 0.00 C ATOM 0 H LEU A 55 -2.791 -1.403 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.585 -1.634 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.820 0.362 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.384 0.076 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.696 0.202 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.466 2.460 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.314 1.318 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.755 2.487 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.191 2.171 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.505 2.188 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.566 0.817 -6.725 1.00 0.00 H new ATOM 868 N ALA A 56 -4.320 -2.613 -6.747 1.00 0.00 N ATOM 869 CA ALA A 56 -4.613 -3.311 -7.992 1.00 0.00 C ATOM 870 C ALA A 56 -5.204 -4.690 -7.718 1.00 0.00 C ATOM 871 O ALA A 56 -6.075 -5.162 -8.446 1.00 0.00 O ATOM 872 CB ALA A 56 -3.353 -3.427 -8.837 1.00 0.00 C ATOM 0 H ALA A 56 -3.329 -2.430 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.353 -2.732 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.584 -3.950 -9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.976 -2.430 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.595 -3.984 -8.286 1.00 0.00 H new ATOM 878 N GLU A 57 -4.731 -5.325 -6.657 1.00 0.00 N ATOM 879 CA GLU A 57 -5.222 -6.643 -6.277 1.00 0.00 C ATOM 880 C GLU A 57 -6.526 -6.522 -5.495 1.00 0.00 C ATOM 881 O GLU A 57 -7.472 -7.278 -5.722 1.00 0.00 O ATOM 882 CB GLU A 57 -4.178 -7.379 -5.434 1.00 0.00 C ATOM 883 CG GLU A 57 -2.834 -6.672 -5.362 1.00 0.00 C ATOM 884 CD GLU A 57 -1.727 -7.572 -4.862 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.627 -8.723 -5.340 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.950 -7.143 -3.993 1.00 0.00 O ATOM 0 H GLU A 57 -4.008 -4.950 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.408 -7.213 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.565 -7.506 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.031 -8.377 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.572 -6.296 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.918 -5.807 -4.704 1.00 0.00 H new ATOM 893 N TRP A 58 -6.566 -5.544 -4.592 1.00 0.00 N ATOM 894 CA TRP A 58 -7.712 -5.320 -3.717 1.00 0.00 C ATOM 895 C TRP A 58 -8.993 -5.133 -4.527 1.00 0.00 C ATOM 896 O TRP A 58 -10.031 -5.726 -4.217 1.00 0.00 O ATOM 897 CB TRP A 58 -7.449 -4.089 -2.826 1.00 0.00 C ATOM 898 CG TRP A 58 -8.690 -3.382 -2.364 1.00 0.00 C ATOM 899 CD1 TRP A 58 -9.622 -3.856 -1.490 1.00 0.00 C ATOM 900 CD2 TRP A 58 -9.132 -2.073 -2.749 1.00 0.00 C ATOM 901 NE1 TRP A 58 -10.622 -2.933 -1.322 1.00 0.00 N ATOM 902 CE2 TRP A 58 -10.342 -1.829 -2.076 1.00 0.00 C ATOM 903 CE3 TRP A 58 -8.625 -1.085 -3.595 1.00 0.00 C ATOM 904 CZ2 TRP A 58 -11.055 -0.644 -2.225 1.00 0.00 C ATOM 905 CZ3 TRP A 58 -9.332 0.094 -3.741 1.00 0.00 C ATOM 906 CH2 TRP A 58 -10.534 0.305 -3.058 1.00 0.00 C ATOM 0 H TRP A 58 -5.802 -4.884 -4.447 1.00 0.00 H new ATOM 0 HA TRP A 58 -7.846 -6.198 -3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.878 -4.403 -1.952 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.827 -3.383 -3.377 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.579 -4.818 -1.001 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -11.443 -3.052 -0.729 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.697 -1.239 -4.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -11.986 -0.480 -1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -8.950 0.865 -4.393 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -11.061 1.238 -3.192 1.00 0.00 H new ATOM 917 N ARG A 59 -8.912 -4.331 -5.581 1.00 0.00 N ATOM 918 CA ARG A 59 -10.080 -4.022 -6.393 1.00 0.00 C ATOM 919 C ARG A 59 -10.616 -5.260 -7.105 1.00 0.00 C ATOM 920 O ARG A 59 -11.781 -5.297 -7.497 1.00 0.00 O ATOM 921 CB ARG A 59 -9.747 -2.929 -7.404 1.00 0.00 C ATOM 922 CG ARG A 59 -9.964 -1.531 -6.851 1.00 0.00 C ATOM 923 CD ARG A 59 -11.378 -1.034 -7.114 1.00 0.00 C ATOM 924 NE ARG A 59 -11.483 -0.245 -8.342 1.00 0.00 N ATOM 925 CZ ARG A 59 -11.967 -0.712 -9.493 1.00 0.00 C ATOM 926 NH1 ARG A 59 -12.342 -1.979 -9.596 1.00 0.00 N ATOM 927 NH2 ARG A 59 -12.066 0.092 -10.544 1.00 0.00 N ATOM 0 H ARG A 59 -8.050 -3.883 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.862 -3.663 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.708 -3.034 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.363 -3.063 -8.293 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.772 -1.530 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.247 -0.846 -7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.052 -1.888 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.708 -0.429 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.166 0.724 -8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.261 -2.602 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.712 -2.331 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.772 1.066 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.436 -0.264 -11.425 1.00 0.00 H new ATOM 941 N ARG A 60 -9.770 -6.270 -7.265 1.00 0.00 N ATOM 942 CA ARG A 60 -10.185 -7.516 -7.900 1.00 0.00 C ATOM 943 C ARG A 60 -10.956 -8.389 -6.919 1.00 0.00 C ATOM 944 O ARG A 60 -12.109 -8.744 -7.160 1.00 0.00 O ATOM 945 CB ARG A 60 -8.979 -8.299 -8.425 1.00 0.00 C ATOM 946 CG ARG A 60 -8.119 -7.522 -9.403 1.00 0.00 C ATOM 947 CD ARG A 60 -7.037 -8.402 -10.006 1.00 0.00 C ATOM 948 NE ARG A 60 -5.997 -7.612 -10.660 1.00 0.00 N ATOM 949 CZ ARG A 60 -6.063 -7.191 -11.922 1.00 0.00 C ATOM 950 NH1 ARG A 60 -7.075 -7.557 -12.702 1.00 0.00 N ATOM 951 NH2 ARG A 60 -5.098 -6.430 -12.419 1.00 0.00 N ATOM 0 H ARG A 60 -8.795 -6.252 -6.965 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.830 -7.253 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.363 -8.607 -7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.332 -9.209 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.745 -7.115 -10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.660 -6.675 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.590 -9.015 -9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.484 -9.084 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.169 -7.368 -10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.808 -8.164 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.119 -7.231 -13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.304 -6.167 -11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.149 -6.108 -13.385 1.00 0.00 H new ATOM 965 N SER A 61 -10.316 -8.706 -5.801 1.00 0.00 N ATOM 966 CA SER A 61 -10.872 -9.641 -4.830 1.00 0.00 C ATOM 967 C SER A 61 -12.128 -9.089 -4.153 1.00 0.00 C ATOM 968 O SER A 61 -12.997 -9.852 -3.729 1.00 0.00 O ATOM 969 CB SER A 61 -9.813 -9.976 -3.786 1.00 0.00 C ATOM 970 OG SER A 61 -8.597 -9.301 -4.068 1.00 0.00 O ATOM 0 H SER A 61 -9.405 -8.327 -5.543 1.00 0.00 H new ATOM 0 HA SER A 61 -11.167 -10.545 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.170 -9.693 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.641 -11.052 -3.768 1.00 0.00 H new ATOM 0 HG SER A 61 -8.659 -8.373 -3.759 1.00 0.00 H new ATOM 976 N GLU A 62 -12.234 -7.767 -4.069 1.00 0.00 N ATOM 977 CA GLU A 62 -13.386 -7.136 -3.434 1.00 0.00 C ATOM 978 C GLU A 62 -14.587 -7.096 -4.376 1.00 0.00 C ATOM 979 O GLU A 62 -15.622 -6.516 -4.050 1.00 0.00 O ATOM 980 CB GLU A 62 -13.033 -5.724 -2.969 1.00 0.00 C ATOM 981 CG GLU A 62 -12.554 -5.671 -1.528 1.00 0.00 C ATOM 982 CD GLU A 62 -13.453 -4.834 -0.643 1.00 0.00 C ATOM 983 OE1 GLU A 62 -14.636 -5.197 -0.473 1.00 0.00 O ATOM 984 OE2 GLU A 62 -12.980 -3.809 -0.101 1.00 0.00 O ATOM 0 H GLU A 62 -11.539 -7.114 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.658 -7.737 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.257 -5.318 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.908 -5.083 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.501 -6.684 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.543 -5.264 -1.500 1.00 0.00 H new ATOM 991 N GLY A 63 -14.440 -7.710 -5.547 1.00 0.00 N ATOM 992 CA GLY A 63 -15.541 -7.803 -6.486 1.00 0.00 C ATOM 993 C GLY A 63 -15.889 -6.473 -7.114 1.00 0.00 C ATOM 994 O GLY A 63 -17.058 -6.187 -7.375 1.00 0.00 O ATOM 0 H GLY A 63 -13.573 -8.146 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.284 -8.514 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.418 -8.198 -5.973 1.00 0.00 H new ATOM 998 N LEU A 64 -14.883 -5.649 -7.346 1.00 0.00 N ATOM 999 CA LEU A 64 -15.090 -4.355 -7.969 1.00 0.00 C ATOM 1000 C LEU A 64 -14.699 -4.422 -9.440 1.00 0.00 C ATOM 1001 O LEU A 64 -13.635 -4.945 -9.775 1.00 0.00 O ATOM 1002 CB LEU A 64 -14.272 -3.279 -7.249 1.00 0.00 C ATOM 1003 CG LEU A 64 -14.894 -2.740 -5.961 1.00 0.00 C ATOM 1004 CD1 LEU A 64 -13.826 -2.549 -4.894 1.00 0.00 C ATOM 1005 CD2 LEU A 64 -15.621 -1.431 -6.231 1.00 0.00 C ATOM 0 H LEU A 64 -13.912 -5.854 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.145 -4.091 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.289 -3.689 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.115 -2.446 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.619 -3.467 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.286 -2.165 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.347 -3.505 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.079 -1.840 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.059 -1.060 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.915 -0.696 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.411 -1.598 -6.964 1.00 0.00 H new ATOM 1017 N PRO A 65 -15.552 -3.890 -10.334 1.00 0.00 N ATOM 1018 CA PRO A 65 -15.309 -3.908 -11.783 1.00 0.00 C ATOM 1019 C PRO A 65 -13.931 -3.354 -12.141 1.00 0.00 C ATOM 1020 O PRO A 65 -13.671 -2.156 -12.011 1.00 0.00 O ATOM 1021 CB PRO A 65 -16.421 -3.015 -12.358 1.00 0.00 C ATOM 1022 CG PRO A 65 -17.021 -2.313 -11.185 1.00 0.00 C ATOM 1023 CD PRO A 65 -16.817 -3.220 -10.006 1.00 0.00 C ATOM 0 HA PRO A 65 -15.323 -4.922 -12.184 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.018 -2.302 -13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.169 -3.610 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.541 -1.348 -11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.081 -2.119 -11.348 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.750 -2.662 -9.072 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -17.636 -3.931 -9.895 1.00 0.00 H new ATOM 1031 N SER A 66 -13.042 -4.233 -12.572 1.00 0.00 N ATOM 1032 CA SER A 66 -11.667 -3.854 -12.866 1.00 0.00 C ATOM 1033 C SER A 66 -11.493 -3.506 -14.345 1.00 0.00 C ATOM 1034 O SER A 66 -10.467 -3.812 -14.955 1.00 0.00 O ATOM 1035 CB SER A 66 -10.732 -4.997 -12.467 1.00 0.00 C ATOM 1036 OG SER A 66 -11.350 -5.844 -11.507 1.00 0.00 O ATOM 0 H SER A 66 -13.248 -5.220 -12.727 1.00 0.00 H new ATOM 0 HA SER A 66 -11.417 -2.963 -12.290 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.462 -5.577 -13.350 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.807 -4.590 -12.058 1.00 0.00 H new ATOM 0 HG SER A 66 -10.736 -6.569 -11.267 1.00 0.00 H new ATOM 1042 N GLU A 67 -12.504 -2.860 -14.908 1.00 0.00 N ATOM 1043 CA GLU A 67 -12.493 -2.468 -16.309 1.00 0.00 C ATOM 1044 C GLU A 67 -13.492 -1.343 -16.525 1.00 0.00 C ATOM 1045 O GLU A 67 -14.433 -1.474 -17.315 1.00 0.00 O ATOM 1046 CB GLU A 67 -12.842 -3.666 -17.197 1.00 0.00 C ATOM 1047 CG GLU A 67 -11.703 -4.098 -18.105 1.00 0.00 C ATOM 1048 CD GLU A 67 -12.059 -3.994 -19.570 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -12.657 -4.945 -20.111 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -11.750 -2.954 -20.189 1.00 0.00 O ATOM 0 H GLU A 67 -13.352 -2.594 -14.408 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.496 -2.120 -16.578 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.131 -4.505 -16.564 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.709 -3.415 -17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.827 -3.481 -17.903 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.428 -5.127 -17.873 1.00 0.00 H new ATOM 1057 N CYS A 68 -13.278 -0.242 -15.804 1.00 0.00 N ATOM 1058 CA CYS A 68 -14.214 0.874 -15.782 1.00 0.00 C ATOM 1059 C CYS A 68 -15.544 0.408 -15.191 1.00 0.00 C ATOM 1060 O CYS A 68 -15.573 -0.566 -14.434 1.00 0.00 O ATOM 1061 CB CYS A 68 -14.391 1.463 -17.186 1.00 0.00 C ATOM 1062 SG CYS A 68 -12.866 2.147 -17.881 1.00 0.00 S ATOM 0 H CYS A 68 -12.452 -0.102 -15.222 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.816 1.669 -15.152 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -14.768 0.687 -17.852 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -15.148 2.247 -17.150 1.00 0.00 H new ATOM 0 HG CYS A 68 -13.104 2.621 -19.068 1.00 0.00 H new ATOM 1068 N ARG A 69 -16.637 1.083 -15.510 1.00 0.00 N ATOM 1069 CA ARG A 69 -17.930 0.669 -14.993 1.00 0.00 C ATOM 1070 C ARG A 69 -18.521 -0.428 -15.868 1.00 0.00 C ATOM 1071 O ARG A 69 -19.266 -0.158 -16.812 1.00 0.00 O ATOM 1072 CB ARG A 69 -18.889 1.856 -14.907 1.00 0.00 C ATOM 1073 CG ARG A 69 -19.829 1.785 -13.715 1.00 0.00 C ATOM 1074 CD ARG A 69 -21.029 0.900 -14.007 1.00 0.00 C ATOM 1075 NE ARG A 69 -22.156 1.664 -14.539 1.00 0.00 N ATOM 1076 CZ ARG A 69 -22.609 1.575 -15.789 1.00 0.00 C ATOM 1077 NH1 ARG A 69 -22.007 0.783 -16.673 1.00 0.00 N ATOM 1078 NH2 ARG A 69 -23.662 2.295 -16.152 1.00 0.00 N ATOM 0 H ARG A 69 -16.656 1.905 -16.113 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.785 0.276 -13.987 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -18.310 2.778 -14.850 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -19.478 1.905 -15.823 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -19.292 1.398 -12.849 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -20.169 2.788 -13.458 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -20.745 0.128 -14.722 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -21.335 0.391 -13.093 1.00 0.00 H new ATOM 0 HE ARG A 69 -22.629 2.311 -13.909 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -21.191 0.237 -16.396 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -22.362 0.722 -17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -24.117 2.909 -15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -24.017 2.234 -17.106 1.00 0.00 H new ATOM 1092 N SER A 70 -18.200 -1.662 -15.528 1.00 0.00 N ATOM 1093 CA SER A 70 -18.699 -2.814 -16.249 1.00 0.00 C ATOM 1094 C SER A 70 -19.350 -3.788 -15.279 1.00 0.00 C ATOM 1095 O SER A 70 -19.342 -3.566 -14.065 1.00 0.00 O ATOM 1096 CB SER A 70 -17.547 -3.500 -16.989 1.00 0.00 C ATOM 1097 OG SER A 70 -16.318 -3.290 -16.312 1.00 0.00 O ATOM 0 H SER A 70 -17.587 -1.892 -14.746 1.00 0.00 H new ATOM 0 HA SER A 70 -19.444 -2.488 -16.975 1.00 0.00 H new ATOM 0 HB2 SER A 70 -17.745 -4.569 -17.069 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.479 -3.111 -18.005 1.00 0.00 H new ATOM 0 HG SER A 70 -15.778 -2.640 -16.809 1.00 0.00 H new ATOM 1103 N VAL A 71 -19.916 -4.857 -15.807 1.00 0.00 N ATOM 1104 CA VAL A 71 -20.518 -5.879 -14.973 1.00 0.00 C ATOM 1105 C VAL A 71 -19.636 -7.120 -14.960 1.00 0.00 C ATOM 1106 O VAL A 71 -19.577 -7.864 -15.938 1.00 0.00 O ATOM 1107 CB VAL A 71 -21.940 -6.263 -15.445 1.00 0.00 C ATOM 1108 CG1 VAL A 71 -22.949 -6.031 -14.333 1.00 0.00 C ATOM 1109 CG2 VAL A 71 -22.340 -5.490 -16.696 1.00 0.00 C ATOM 0 H VAL A 71 -19.971 -5.040 -16.809 1.00 0.00 H new ATOM 0 HA VAL A 71 -20.605 -5.466 -13.968 1.00 0.00 H new ATOM 0 HB VAL A 71 -21.932 -7.323 -15.697 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -23.944 -6.306 -14.682 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -22.685 -6.641 -13.469 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -22.942 -4.979 -14.049 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -23.344 -5.784 -17.000 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -22.324 -4.421 -16.484 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -21.638 -5.711 -17.500 1.00 0.00 H new ATOM 1119 N THR A 72 -18.930 -7.318 -13.860 1.00 0.00 N ATOM 1120 CA THR A 72 -18.029 -8.448 -13.726 1.00 0.00 C ATOM 1121 C THR A 72 -18.498 -9.373 -12.615 1.00 0.00 C ATOM 1122 O THR A 72 -18.537 -8.981 -11.447 1.00 0.00 O ATOM 1123 CB THR A 72 -16.593 -7.975 -13.428 1.00 0.00 C ATOM 1124 OG1 THR A 72 -16.505 -6.553 -13.602 1.00 0.00 O ATOM 1125 CG2 THR A 72 -15.599 -8.665 -14.347 1.00 0.00 C ATOM 0 H THR A 72 -18.964 -6.707 -13.044 1.00 0.00 H new ATOM 0 HA THR A 72 -18.032 -8.990 -14.672 1.00 0.00 H new ATOM 0 HB THR A 72 -16.350 -8.233 -12.397 1.00 0.00 H new ATOM 0 HG1 THR A 72 -15.598 -6.314 -13.885 1.00 0.00 H new ATOM 0 HG21 THR A 72 -14.591 -8.317 -14.120 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.653 -9.743 -14.197 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.839 -8.430 -15.384 1.00 0.00 H new ATOM 1133 N ASP A 73 -18.885 -10.585 -12.984 1.00 0.00 N ATOM 1134 CA ASP A 73 -19.324 -11.578 -12.012 1.00 0.00 C ATOM 1135 C ASP A 73 -19.281 -12.967 -12.624 1.00 0.00 C ATOM 1136 O ASP A 73 -18.425 -13.778 -12.211 1.00 0.00 O ATOM 1137 CB ASP A 73 -20.743 -11.279 -11.521 1.00 0.00 C ATOM 1138 CG ASP A 73 -20.964 -11.709 -10.082 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -20.527 -12.819 -9.706 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -21.584 -10.938 -9.319 1.00 0.00 O ATOM 1141 OXT ASP A 73 -20.101 -13.244 -13.522 1.00 0.00 O ATOM 0 H ASP A 73 -18.904 -10.906 -13.952 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.645 -11.535 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.937 -10.210 -11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -21.461 -11.789 -12.163 1.00 0.00 H new TER 1146 ASP A 73