USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -3.3 X(o=-8.2,f=-8.3) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -4.91 X(o=-8.2,f=-8.3) USER MOD Set 2.1: A 19 HIS : no HE2:sc= -10.8! C(o=-12!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot -151:sc= -1.3 USER MOD Set 3.1: A 32 THR OG1 : rot -6:sc= 0.508 USER MOD Set 3.2: A 89 GLN : amide:sc= -1.06 K(o=-0.55,f=-5.7!) USER MOD Set 4.1: A 10 MET CE :methyl 164:sc= -8.43! (180deg=-9.59!) USER MOD Set 4.2: A 70 MET CE :methyl -143:sc= -0.847 (180deg=-2.73!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -158:sc= -1.32 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -1.54! F(o=-3,f=-1.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.33! C(o=-1.3!,f=-1.4!) USER MOD Single : A 33 GLN : amide:sc= -4.78! C(o=-4.8!,f=-10!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.837 F(o=-1.5,f=-0.84) USER MOD Single : A 42 ASN : amide:sc= -6.51 K(o=-6.5,f=-12!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.176 USER MOD Single : A 56 THR OG1 : rot -108:sc= -0.0997 USER MOD Single : A 60 ASN : amide:sc= -0.544 K(o=-0.54,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00764 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.13 X(o=-2.1,f=-2.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.609 -4.029 -7.501 1.00 0.00 N ATOM 32 CA LEU A 3 -0.356 -4.167 -6.416 1.00 0.00 C ATOM 33 C LEU A 3 -1.558 -4.989 -6.863 1.00 0.00 C ATOM 34 O LEU A 3 -2.403 -4.513 -7.620 1.00 0.00 O ATOM 35 CB LEU A 3 -0.811 -2.787 -5.936 1.00 0.00 C ATOM 36 CG LEU A 3 -1.892 -2.800 -4.854 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.840 -1.520 -4.036 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.267 -2.979 -5.478 1.00 0.00 C ATOM 0 HA LEU A 3 0.129 -4.688 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.056 -2.248 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.183 -2.226 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.704 -3.642 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.616 -1.546 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.863 -1.432 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.004 -0.663 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.024 -2.986 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.464 -2.157 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.299 -3.923 -6.022 1.00 0.00 H new ATOM 44 N ASN A 4 -1.624 -6.232 -6.396 1.00 0.00 N ATOM 45 CA ASN A 4 -2.721 -7.125 -6.755 1.00 0.00 C ATOM 46 C ASN A 4 -3.947 -6.888 -5.877 1.00 0.00 C ATOM 47 O ASN A 4 -3.854 -6.315 -4.787 1.00 0.00 O ATOM 48 CB ASN A 4 -2.278 -8.579 -6.640 1.00 0.00 C ATOM 49 CG ASN A 4 -0.952 -8.838 -7.329 1.00 0.00 C ATOM 50 OD1 ASN A 4 0.041 -9.175 -6.686 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.931 -8.682 -8.648 1.00 0.00 N ATOM 0 H ASN A 4 -0.932 -6.643 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.996 -6.910 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.195 -8.848 -5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.042 -9.224 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.068 -8.843 -9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.778 -8.401 -9.142 1.00 0.00 H new ATOM 56 N ILE A 5 -5.099 -7.339 -6.365 1.00 0.00 N ATOM 57 CA ILE A 5 -6.356 -7.183 -5.642 1.00 0.00 C ATOM 58 C ILE A 5 -7.044 -8.527 -5.440 1.00 0.00 C ATOM 59 O ILE A 5 -6.762 -9.498 -6.141 1.00 0.00 O ATOM 60 CB ILE A 5 -7.340 -6.232 -6.372 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.892 -5.972 -7.818 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.477 -4.928 -5.603 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.614 -5.167 -7.933 1.00 0.00 C ATOM 0 H ILE A 5 -5.187 -7.817 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.096 -6.748 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.316 -6.715 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.753 -6.929 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.688 -5.447 -8.345 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.170 -4.269 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.856 -5.134 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.503 -4.445 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.366 -5.027 -8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.753 -4.195 -7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.803 -5.699 -7.437 1.00 0.00 H new ATOM 67 N THR A 6 -7.963 -8.562 -4.484 1.00 0.00 N ATOM 68 CA THR A 6 -8.718 -9.769 -4.186 1.00 0.00 C ATOM 69 C THR A 6 -10.208 -9.467 -4.232 1.00 0.00 C ATOM 70 O THR A 6 -10.967 -10.119 -4.948 1.00 0.00 O ATOM 71 CB THR A 6 -8.333 -10.318 -2.810 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.924 -10.346 -2.657 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.849 -11.718 -2.558 1.00 0.00 C ATOM 0 H THR A 6 -8.204 -7.762 -3.899 1.00 0.00 H new ATOM 0 HA THR A 6 -8.482 -10.525 -4.935 1.00 0.00 H new ATOM 0 HB THR A 6 -8.796 -9.642 -2.090 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.698 -10.698 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.541 -12.046 -1.565 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.937 -11.721 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.441 -12.396 -3.307 1.00 0.00 H new ATOM 78 N SER A 7 -10.610 -8.452 -3.472 1.00 0.00 N ATOM 79 CA SER A 7 -12.003 -8.021 -3.416 1.00 0.00 C ATOM 80 C SER A 7 -12.967 -9.202 -3.342 1.00 0.00 C ATOM 81 O SER A 7 -13.328 -9.790 -4.361 1.00 0.00 O ATOM 82 CB SER A 7 -12.327 -7.153 -4.631 1.00 0.00 C ATOM 83 OG SER A 7 -11.230 -6.322 -4.971 1.00 0.00 O ATOM 0 H SER A 7 -9.982 -7.908 -2.880 1.00 0.00 H new ATOM 0 HA SER A 7 -12.132 -7.439 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.582 -7.789 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.202 -6.538 -4.420 1.00 0.00 H new ATOM 0 HG SER A 7 -11.549 -5.556 -5.493 1.00 0.00 H new ATOM 89 N LYS A 8 -13.377 -9.540 -2.125 1.00 0.00 N ATOM 90 CA LYS A 8 -14.297 -10.650 -1.907 1.00 0.00 C ATOM 91 C LYS A 8 -15.623 -10.437 -2.640 1.00 0.00 C ATOM 92 O LYS A 8 -16.215 -11.385 -3.153 1.00 0.00 O ATOM 93 CB LYS A 8 -14.549 -10.843 -0.407 1.00 0.00 C ATOM 94 CG LYS A 8 -15.537 -9.850 0.186 1.00 0.00 C ATOM 95 CD LYS A 8 -15.300 -9.648 1.674 1.00 0.00 C ATOM 96 CE LYS A 8 -16.147 -10.598 2.506 1.00 0.00 C ATOM 97 NZ LYS A 8 -16.669 -9.942 3.736 1.00 0.00 N ATOM 0 H LYS A 8 -13.086 -9.061 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.833 -11.549 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.920 -11.854 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.601 -10.758 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.448 -8.894 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.554 -10.206 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.245 -9.806 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.534 -8.618 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.981 -10.961 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.551 -11.468 2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.241 -10.622 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.873 -9.618 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.258 -9.127 3.471 1.00 0.00 H new ATOM 111 N GLN A 9 -16.091 -9.190 -2.677 1.00 0.00 N ATOM 112 CA GLN A 9 -17.354 -8.873 -3.338 1.00 0.00 C ATOM 113 C GLN A 9 -17.152 -7.905 -4.508 1.00 0.00 C ATOM 114 O GLN A 9 -16.880 -8.332 -5.630 1.00 0.00 O ATOM 115 CB GLN A 9 -18.356 -8.294 -2.330 1.00 0.00 C ATOM 116 CG GLN A 9 -17.710 -7.493 -1.209 1.00 0.00 C ATOM 117 CD GLN A 9 -18.707 -6.629 -0.463 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.276 -5.648 -1.156 1.00 0.00 O flip ATOM 119 NE2 GLN A 9 -18.967 -6.842 0.721 1.00 0.00 N flip ATOM 0 H GLN A 9 -15.618 -8.389 -2.260 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.757 -9.801 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.061 -7.654 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.932 -9.111 -1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.231 -8.177 -0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.925 -6.861 -1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.506 -7.607 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.643 -6.254 1.208 1.00 0.00 H new ATOM 126 N MET A 10 -17.295 -6.602 -4.249 1.00 0.00 N ATOM 127 CA MET A 10 -17.136 -5.588 -5.288 1.00 0.00 C ATOM 128 C MET A 10 -15.880 -5.829 -6.117 1.00 0.00 C ATOM 129 O MET A 10 -14.764 -5.702 -5.619 1.00 0.00 O ATOM 130 CB MET A 10 -17.074 -4.196 -4.664 1.00 0.00 C ATOM 131 CG MET A 10 -16.083 -4.087 -3.522 1.00 0.00 C ATOM 132 SD MET A 10 -15.427 -2.422 -3.329 1.00 0.00 S ATOM 133 CE MET A 10 -15.009 -2.445 -1.591 1.00 0.00 C ATOM 0 H MET A 10 -17.521 -6.227 -3.328 1.00 0.00 H new ATOM 0 HA MET A 10 -18.001 -5.656 -5.948 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.808 -3.473 -5.435 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.065 -3.925 -4.301 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.568 -4.392 -2.595 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.259 -4.780 -3.693 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.341 -1.614 -1.367 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.918 -2.350 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.513 -3.385 -1.348 1.00 0.00 H new ATOM 143 N ASP A 11 -16.064 -6.173 -7.386 1.00 0.00 N ATOM 144 CA ASP A 11 -14.934 -6.423 -8.270 1.00 0.00 C ATOM 145 C ASP A 11 -14.060 -5.177 -8.389 1.00 0.00 C ATOM 146 O ASP A 11 -14.394 -4.123 -7.849 1.00 0.00 O ATOM 147 CB ASP A 11 -15.422 -6.858 -9.653 1.00 0.00 C ATOM 148 CG ASP A 11 -16.435 -7.983 -9.583 1.00 0.00 C ATOM 149 OD1 ASP A 11 -17.588 -7.721 -9.181 1.00 0.00 O ATOM 150 OD2 ASP A 11 -16.075 -9.128 -9.930 1.00 0.00 O ATOM 0 H ASP A 11 -16.979 -6.284 -7.823 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.337 -7.228 -7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.867 -6.004 -10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.569 -7.178 -10.252 1.00 0.00 H new ATOM 155 N ILE A 12 -12.944 -5.300 -9.100 1.00 0.00 N ATOM 156 CA ILE A 12 -12.036 -4.170 -9.281 1.00 0.00 C ATOM 157 C ILE A 12 -12.333 -3.443 -10.586 1.00 0.00 C ATOM 158 O ILE A 12 -12.746 -4.052 -11.572 1.00 0.00 O ATOM 159 CB ILE A 12 -10.536 -4.573 -9.270 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.356 -6.090 -9.133 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.797 -3.855 -8.146 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.877 -6.647 -7.826 1.00 0.00 C ATOM 0 H ILE A 12 -12.647 -6.162 -9.557 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.212 -3.516 -8.427 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.111 -4.271 -10.227 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.868 -6.584 -9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.297 -6.331 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.748 -4.150 -8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.872 -2.777 -8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.242 -4.124 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.716 -7.725 -7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.348 -6.181 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.943 -6.437 -7.740 1.00 0.00 H new ATOM 166 N THR A 13 -12.118 -2.137 -10.578 1.00 0.00 N ATOM 167 CA THR A 13 -12.357 -1.310 -11.749 1.00 0.00 C ATOM 168 C THR A 13 -11.290 -0.221 -11.857 1.00 0.00 C ATOM 169 O THR A 13 -10.482 -0.047 -10.944 1.00 0.00 O ATOM 170 CB THR A 13 -13.748 -0.681 -11.665 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.214 -0.672 -10.328 1.00 0.00 O ATOM 172 CG2 THR A 13 -14.782 -1.400 -12.505 1.00 0.00 C ATOM 0 H THR A 13 -11.775 -1.624 -9.766 1.00 0.00 H new ATOM 0 HA THR A 13 -12.304 -1.936 -12.640 1.00 0.00 H new ATOM 0 HB THR A 13 -13.630 0.332 -12.050 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.105 -0.264 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.746 -0.902 -12.400 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.477 -1.383 -13.551 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.869 -2.433 -12.169 1.00 0.00 H new ATOM 177 N PRO A 14 -11.269 0.528 -12.975 1.00 0.00 N ATOM 178 CA PRO A 14 -10.293 1.600 -13.189 1.00 0.00 C ATOM 179 C PRO A 14 -10.054 2.440 -11.938 1.00 0.00 C ATOM 180 O PRO A 14 -8.911 2.676 -11.548 1.00 0.00 O ATOM 181 CB PRO A 14 -10.951 2.438 -14.278 1.00 0.00 C ATOM 182 CG PRO A 14 -11.727 1.454 -15.084 1.00 0.00 C ATOM 183 CD PRO A 14 -12.193 0.393 -14.120 1.00 0.00 C ATOM 0 HA PRO A 14 -9.308 1.214 -13.452 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.600 3.203 -13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.208 2.953 -14.887 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.574 1.934 -15.573 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.108 1.021 -15.870 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.229 0.552 -13.819 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.139 -0.602 -14.563 1.00 0.00 H new ATOM 191 N ALA A 15 -11.138 2.886 -11.309 1.00 0.00 N ATOM 192 CA ALA A 15 -11.039 3.696 -10.099 1.00 0.00 C ATOM 193 C ALA A 15 -10.172 3.001 -9.056 1.00 0.00 C ATOM 194 O ALA A 15 -9.029 3.393 -8.827 1.00 0.00 O ATOM 195 CB ALA A 15 -12.423 3.985 -9.537 1.00 0.00 C ATOM 0 H ALA A 15 -12.093 2.701 -11.616 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.567 4.644 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.330 4.590 -8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.011 4.526 -10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.921 3.046 -9.295 1.00 0.00 H new ATOM 201 N ILE A 16 -10.714 1.952 -8.438 1.00 0.00 N ATOM 202 CA ILE A 16 -9.973 1.192 -7.437 1.00 0.00 C ATOM 203 C ILE A 16 -8.590 0.832 -7.971 1.00 0.00 C ATOM 204 O ILE A 16 -7.574 1.297 -7.457 1.00 0.00 O ATOM 205 CB ILE A 16 -10.718 -0.110 -7.046 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.753 0.161 -5.960 1.00 0.00 C ATOM 207 CG2 ILE A 16 -9.746 -1.174 -6.561 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.109 0.558 -6.501 1.00 0.00 C ATOM 0 H ILE A 16 -11.659 1.612 -8.613 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.880 1.820 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.224 -0.475 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.864 -0.732 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.385 0.954 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.297 -2.076 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.034 -1.405 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.209 -0.805 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.794 0.735 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.012 1.468 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.499 -0.243 -7.129 1.00 0.00 H new ATOM 212 N ARG A 17 -8.571 0.000 -9.014 1.00 0.00 N ATOM 213 CA ARG A 17 -7.324 -0.439 -9.635 1.00 0.00 C ATOM 214 C ARG A 17 -6.314 0.707 -9.702 1.00 0.00 C ATOM 215 O ARG A 17 -5.236 0.637 -9.111 1.00 0.00 O ATOM 216 CB ARG A 17 -7.593 -0.976 -11.042 1.00 0.00 C ATOM 217 CG ARG A 17 -6.435 -1.775 -11.618 1.00 0.00 C ATOM 218 CD ARG A 17 -6.709 -2.207 -13.050 1.00 0.00 C ATOM 219 NE ARG A 17 -6.544 -3.648 -13.228 1.00 0.00 N ATOM 220 CZ ARG A 17 -6.350 -4.232 -14.407 1.00 0.00 C ATOM 221 NH1 ARG A 17 -6.299 -3.506 -15.517 1.00 0.00 N ATOM 222 NH2 ARG A 17 -6.207 -5.549 -14.479 1.00 0.00 N ATOM 0 H ARG A 17 -9.411 -0.384 -9.447 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.903 -1.236 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.482 -1.606 -11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.813 -0.140 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.526 -1.174 -11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.257 -2.655 -11.000 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.724 -1.921 -13.327 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.034 -1.679 -13.723 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.580 -4.241 -12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.409 -2.493 -15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.150 -3.961 -16.418 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.246 -6.113 -13.630 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.058 -5.997 -15.383 1.00 0.00 H new ATOM 236 N GLU A 18 -6.684 1.767 -10.416 1.00 0.00 N ATOM 237 CA GLU A 18 -5.823 2.935 -10.555 1.00 0.00 C ATOM 238 C GLU A 18 -5.492 3.521 -9.188 1.00 0.00 C ATOM 239 O GLU A 18 -4.366 3.952 -8.940 1.00 0.00 O ATOM 240 CB GLU A 18 -6.501 3.992 -11.430 1.00 0.00 C ATOM 241 CG GLU A 18 -5.672 5.254 -11.615 1.00 0.00 C ATOM 242 CD GLU A 18 -5.573 5.681 -13.066 1.00 0.00 C ATOM 243 OE1 GLU A 18 -6.569 5.519 -13.802 1.00 0.00 O ATOM 244 OE2 GLU A 18 -4.499 6.177 -13.467 1.00 0.00 O ATOM 0 H GLU A 18 -7.575 1.840 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.895 2.623 -11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.713 3.560 -12.408 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.460 4.259 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.113 6.062 -11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.670 5.087 -11.221 1.00 0.00 H new ATOM 251 N HIS A 19 -6.479 3.520 -8.295 1.00 0.00 N ATOM 252 CA HIS A 19 -6.291 4.033 -6.949 1.00 0.00 C ATOM 253 C HIS A 19 -5.223 3.213 -6.236 1.00 0.00 C ATOM 254 O HIS A 19 -4.121 3.698 -5.979 1.00 0.00 O ATOM 255 CB HIS A 19 -7.615 3.966 -6.194 1.00 0.00 C ATOM 256 CG HIS A 19 -7.697 4.868 -5.016 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.095 6.105 -4.947 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.347 4.697 -3.856 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.377 6.660 -3.781 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.137 5.823 -3.096 1.00 0.00 N ATOM 0 H HIS A 19 -7.417 3.168 -8.484 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.962 5.071 -6.989 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.424 4.212 -6.882 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.779 2.940 -5.863 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -6.523 6.526 -5.679 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.929 3.833 -3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.044 7.631 -3.445 1.00 0.00 H new ATOM 269 N LEU A 20 -5.552 1.956 -5.949 1.00 0.00 N ATOM 270 CA LEU A 20 -4.616 1.042 -5.295 1.00 0.00 C ATOM 271 C LEU A 20 -3.243 1.120 -5.957 1.00 0.00 C ATOM 272 O LEU A 20 -2.225 1.311 -5.288 1.00 0.00 O ATOM 273 CB LEU A 20 -5.141 -0.393 -5.358 1.00 0.00 C ATOM 274 CG LEU A 20 -6.662 -0.533 -5.221 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.099 -1.982 -5.333 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.127 0.064 -3.907 1.00 0.00 C ATOM 0 H LEU A 20 -6.462 1.545 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.521 1.339 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.834 -0.835 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.665 -0.973 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.125 0.015 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.182 -2.044 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.802 -2.377 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.626 -2.567 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.209 -0.042 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.645 -0.457 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.862 1.121 -3.873 1.00 0.00 H new ATOM 282 N GLU A 21 -3.227 0.985 -7.283 1.00 0.00 N ATOM 283 CA GLU A 21 -1.983 1.056 -8.042 1.00 0.00 C ATOM 284 C GLU A 21 -1.264 2.368 -7.750 1.00 0.00 C ATOM 285 O GLU A 21 -0.100 2.376 -7.347 1.00 0.00 O ATOM 286 CB GLU A 21 -2.267 0.932 -9.540 1.00 0.00 C ATOM 287 CG GLU A 21 -2.619 -0.481 -9.976 1.00 0.00 C ATOM 288 CD GLU A 21 -2.599 -0.649 -11.483 1.00 0.00 C ATOM 289 OE1 GLU A 21 -3.205 0.191 -12.182 1.00 0.00 O ATOM 290 OE2 GLU A 21 -1.977 -1.618 -11.964 1.00 0.00 O ATOM 0 H GLU A 21 -4.060 0.826 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.342 0.228 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.088 1.600 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.392 1.268 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.915 -1.182 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.609 -0.738 -9.599 1.00 0.00 H new ATOM 297 N GLU A 22 -1.975 3.477 -7.941 1.00 0.00 N ATOM 298 CA GLU A 22 -1.411 4.797 -7.680 1.00 0.00 C ATOM 299 C GLU A 22 -0.850 4.855 -6.264 1.00 0.00 C ATOM 300 O GLU A 22 0.246 5.372 -6.038 1.00 0.00 O ATOM 301 CB GLU A 22 -2.475 5.881 -7.868 1.00 0.00 C ATOM 302 CG GLU A 22 -2.711 6.256 -9.323 1.00 0.00 C ATOM 303 CD GLU A 22 -2.498 7.734 -9.587 1.00 0.00 C ATOM 304 OE1 GLU A 22 -1.404 8.244 -9.266 1.00 0.00 O ATOM 305 OE2 GLU A 22 -3.426 8.382 -10.115 1.00 0.00 O ATOM 0 H GLU A 22 -2.939 3.487 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.603 4.976 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.413 5.537 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.176 6.772 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.039 5.677 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.728 5.984 -9.604 1.00 0.00 H new ATOM 312 N ARG A 23 -1.602 4.302 -5.314 1.00 0.00 N ATOM 313 CA ARG A 23 -1.172 4.273 -3.924 1.00 0.00 C ATOM 314 C ARG A 23 0.139 3.508 -3.801 1.00 0.00 C ATOM 315 O ARG A 23 1.077 3.964 -3.146 1.00 0.00 O ATOM 316 CB ARG A 23 -2.243 3.631 -3.043 1.00 0.00 C ATOM 317 CG ARG A 23 -3.408 4.558 -2.731 1.00 0.00 C ATOM 318 CD ARG A 23 -2.935 5.919 -2.243 1.00 0.00 C ATOM 319 NE ARG A 23 -3.899 6.544 -1.341 1.00 0.00 N ATOM 320 CZ ARG A 23 -3.706 7.723 -0.752 1.00 0.00 C ATOM 321 NH1 ARG A 23 -2.589 8.406 -0.968 1.00 0.00 N ATOM 322 NH2 ARG A 23 -4.634 8.221 0.053 1.00 0.00 N ATOM 0 H ARG A 23 -2.510 3.870 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.018 5.298 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.623 2.738 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.786 3.307 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.020 4.685 -3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.043 4.101 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.979 5.808 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.764 6.572 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.770 6.049 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.872 8.029 -1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.447 9.308 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.495 7.701 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.487 9.124 0.504 1.00 0.00 H new ATOM 336 N LEU A 24 0.205 2.349 -4.455 1.00 0.00 N ATOM 337 CA LEU A 24 1.415 1.538 -4.437 1.00 0.00 C ATOM 338 C LEU A 24 2.572 2.334 -5.023 1.00 0.00 C ATOM 339 O LEU A 24 3.634 2.467 -4.405 1.00 0.00 O ATOM 340 CB LEU A 24 1.208 0.246 -5.230 1.00 0.00 C ATOM 341 CG LEU A 24 2.441 -0.654 -5.334 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.449 -1.681 -4.213 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.486 -1.342 -6.690 1.00 0.00 C ATOM 0 H LEU A 24 -0.562 1.955 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 24 1.647 1.273 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.401 -0.321 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.879 0.504 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 24 3.330 -0.032 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.333 -2.312 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.466 -1.169 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.554 -2.299 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.369 -1.978 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.591 -1.951 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.529 -0.590 -7.478 1.00 0.00 H new ATOM 349 N ALA A 25 2.350 2.888 -6.214 1.00 0.00 N ATOM 350 CA ALA A 25 3.361 3.700 -6.875 1.00 0.00 C ATOM 351 C ALA A 25 3.777 4.847 -5.967 1.00 0.00 C ATOM 352 O ALA A 25 4.934 5.272 -5.969 1.00 0.00 O ATOM 353 CB ALA A 25 2.834 4.231 -8.201 1.00 0.00 C ATOM 0 H ALA A 25 1.480 2.788 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 25 4.234 3.080 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.603 4.836 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.572 3.395 -8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.950 4.843 -8.022 1.00 0.00 H new ATOM 359 N LYS A 26 2.824 5.329 -5.172 1.00 0.00 N ATOM 360 CA LYS A 26 3.085 6.410 -4.235 1.00 0.00 C ATOM 361 C LYS A 26 3.938 5.899 -3.081 1.00 0.00 C ATOM 362 O LYS A 26 4.846 6.586 -2.614 1.00 0.00 O ATOM 363 CB LYS A 26 1.771 6.987 -3.705 1.00 0.00 C ATOM 364 CG LYS A 26 1.942 8.298 -2.952 1.00 0.00 C ATOM 365 CD LYS A 26 0.991 9.370 -3.465 1.00 0.00 C ATOM 366 CE LYS A 26 0.303 10.098 -2.323 1.00 0.00 C ATOM 367 NZ LYS A 26 0.153 11.554 -2.602 1.00 0.00 N ATOM 0 H LYS A 26 1.864 4.985 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 26 3.625 7.202 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.089 7.144 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.303 6.257 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.765 8.133 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.970 8.645 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.543 10.086 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.241 8.913 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.679 9.658 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.878 9.961 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.321 12.014 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.092 11.979 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.417 11.686 -3.462 1.00 0.00 H new ATOM 381 N LEU A 27 3.648 4.677 -2.637 1.00 0.00 N ATOM 382 CA LEU A 27 4.402 4.065 -1.551 1.00 0.00 C ATOM 383 C LEU A 27 5.766 3.585 -2.049 1.00 0.00 C ATOM 384 O LEU A 27 6.626 3.206 -1.258 1.00 0.00 O ATOM 385 CB LEU A 27 3.617 2.905 -0.920 1.00 0.00 C ATOM 386 CG LEU A 27 2.804 3.277 0.327 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.182 2.038 0.952 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.675 4.007 1.345 1.00 0.00 C ATOM 0 H LEU A 27 2.899 4.095 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 27 4.561 4.821 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.939 2.495 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.318 2.113 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 27 2.002 3.948 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.610 2.324 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.520 1.559 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.969 1.341 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.077 4.261 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.502 3.363 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.069 4.920 0.898 1.00 0.00 H new ATOM 394 N GLY A 28 5.965 3.616 -3.368 1.00 0.00 N ATOM 395 CA GLY A 28 7.238 3.198 -3.933 1.00 0.00 C ATOM 396 C GLY A 28 8.377 4.103 -3.505 1.00 0.00 C ATOM 397 O GLY A 28 9.498 3.645 -3.284 1.00 0.00 O ATOM 0 H GLY A 28 5.271 3.921 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.453 2.175 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.168 3.194 -5.021 1.00 0.00 H new ATOM 401 N LYS A 29 8.081 5.390 -3.382 1.00 0.00 N ATOM 402 CA LYS A 29 9.072 6.377 -2.969 1.00 0.00 C ATOM 403 C LYS A 29 9.551 6.101 -1.544 1.00 0.00 C ATOM 404 O LYS A 29 10.645 6.510 -1.153 1.00 0.00 O ATOM 405 CB LYS A 29 8.461 7.784 -3.061 1.00 0.00 C ATOM 406 CG LYS A 29 9.265 8.874 -2.362 1.00 0.00 C ATOM 407 CD LYS A 29 8.358 9.963 -1.808 1.00 0.00 C ATOM 408 CE LYS A 29 8.278 9.912 -0.287 1.00 0.00 C ATOM 409 NZ LYS A 29 8.488 11.252 0.325 1.00 0.00 N ATOM 0 H LYS A 29 7.155 5.778 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 29 9.933 6.311 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.352 8.050 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.459 7.759 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.847 8.436 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.975 9.312 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.729 10.939 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.359 9.853 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.304 9.525 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.028 9.218 0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.426 11.174 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.427 11.611 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.758 11.908 -0.017 1.00 0.00 H new ATOM 423 N TRP A 30 8.717 5.418 -0.772 1.00 0.00 N ATOM 424 CA TRP A 30 9.019 5.099 0.590 1.00 0.00 C ATOM 425 C TRP A 30 10.163 4.111 0.693 1.00 0.00 C ATOM 426 O TRP A 30 10.373 3.277 -0.186 1.00 0.00 O ATOM 427 CB TRP A 30 7.771 4.548 1.271 1.00 0.00 C ATOM 428 CG TRP A 30 6.838 5.621 1.734 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.925 6.303 0.983 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.743 6.143 3.056 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.260 7.215 1.768 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.748 7.136 3.047 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.404 5.861 4.246 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.401 7.848 4.192 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.063 6.569 5.379 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.069 7.552 5.346 1.00 0.00 C ATOM 0 H TRP A 30 7.810 5.074 -1.088 1.00 0.00 H new ATOM 0 HA TRP A 30 9.336 6.012 1.095 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.245 3.891 0.578 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.068 3.939 2.125 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.751 6.149 -0.072 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.524 7.847 1.451 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.171 5.101 4.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.632 8.606 4.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.573 6.361 6.308 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.825 8.088 6.251 1.00 0.00 H new ATOM 447 N GLN A 31 10.882 4.227 1.790 1.00 0.00 N ATOM 448 CA GLN A 31 12.020 3.363 2.088 1.00 0.00 C ATOM 449 C GLN A 31 11.559 1.916 2.194 1.00 0.00 C ATOM 450 O GLN A 31 11.568 1.330 3.277 1.00 0.00 O ATOM 451 CB GLN A 31 12.668 3.782 3.411 1.00 0.00 C ATOM 452 CG GLN A 31 13.492 5.057 3.335 1.00 0.00 C ATOM 453 CD GLN A 31 12.770 6.183 2.622 1.00 0.00 C ATOM 454 OE1 GLN A 31 12.935 6.378 1.417 1.00 0.00 O ATOM 455 NE2 GLN A 31 11.964 6.933 3.365 1.00 0.00 N ATOM 0 H GLN A 31 10.697 4.926 2.509 1.00 0.00 H new ATOM 0 HA GLN A 31 12.748 3.457 1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.885 3.915 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.308 2.972 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.749 5.378 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.429 4.848 2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.857 6.736 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.452 7.706 2.941 1.00 0.00 H new ATOM 462 N THR A 32 11.125 1.349 1.078 1.00 0.00 N ATOM 463 CA THR A 32 10.631 -0.010 1.077 1.00 0.00 C ATOM 464 C THR A 32 10.515 -0.565 -0.342 1.00 0.00 C ATOM 465 O THR A 32 10.471 0.181 -1.320 1.00 0.00 O ATOM 466 CB THR A 32 9.265 -0.032 1.766 1.00 0.00 C ATOM 467 OG1 THR A 32 9.406 0.139 3.165 1.00 0.00 O ATOM 468 CG2 THR A 32 8.488 -1.306 1.542 1.00 0.00 C ATOM 0 H THR A 32 11.107 1.810 0.168 1.00 0.00 H new ATOM 0 HA THR A 32 11.337 -0.643 1.615 1.00 0.00 H new ATOM 0 HB THR A 32 8.711 0.791 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.357 0.131 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.532 -1.245 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.313 -1.443 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.057 -2.152 1.928 1.00 0.00 H new ATOM 473 N GLN A 33 10.432 -1.885 -0.424 1.00 0.00 N ATOM 474 CA GLN A 33 10.280 -2.589 -1.685 1.00 0.00 C ATOM 475 C GLN A 33 9.161 -3.597 -1.527 1.00 0.00 C ATOM 476 O GLN A 33 9.363 -4.700 -1.017 1.00 0.00 O ATOM 477 CB GLN A 33 11.570 -3.293 -2.093 1.00 0.00 C ATOM 478 CG GLN A 33 12.380 -3.822 -0.922 1.00 0.00 C ATOM 479 CD GLN A 33 13.343 -2.785 -0.372 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.056 -1.588 -0.388 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.493 -3.236 0.118 1.00 0.00 N ATOM 0 H GLN A 33 10.469 -2.500 0.389 1.00 0.00 H new ATOM 0 HA GLN A 33 10.044 -1.872 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.325 -4.122 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.186 -2.599 -2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.703 -4.142 -0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.939 -4.702 -1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.692 -4.236 0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.176 -2.582 0.500 1.00 0.00 H new ATOM 488 N LEU A 34 7.974 -3.186 -1.917 1.00 0.00 N ATOM 489 CA LEU A 34 6.789 -4.011 -1.777 1.00 0.00 C ATOM 490 C LEU A 34 6.992 -5.428 -2.292 1.00 0.00 C ATOM 491 O LEU A 34 6.841 -5.703 -3.482 1.00 0.00 O ATOM 492 CB LEU A 34 5.604 -3.358 -2.484 1.00 0.00 C ATOM 493 CG LEU A 34 5.371 -1.879 -2.147 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.974 -1.515 -0.792 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.950 -1.000 -3.241 1.00 0.00 C ATOM 0 H LEU A 34 7.801 -2.274 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 34 6.582 -4.088 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.749 -3.449 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.702 -3.916 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 34 4.296 -1.709 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.791 -0.461 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.514 -2.124 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.048 -1.700 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.780 0.048 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.021 -1.184 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.465 -1.232 -4.189 1.00 0.00 H new ATOM 501 N ILE A 35 7.299 -6.330 -1.369 1.00 0.00 N ATOM 502 CA ILE A 35 7.484 -7.730 -1.699 1.00 0.00 C ATOM 503 C ILE A 35 6.128 -8.371 -1.960 1.00 0.00 C ATOM 504 O ILE A 35 5.476 -8.861 -1.038 1.00 0.00 O ATOM 505 CB ILE A 35 8.194 -8.478 -0.559 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.622 -7.946 -0.405 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.192 -9.981 -0.823 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.500 -8.833 0.439 1.00 0.00 C ATOM 0 H ILE A 35 7.425 -6.111 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 35 8.106 -7.795 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 35 7.657 -8.305 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.070 -7.837 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.586 -6.952 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.699 -10.495 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.164 -10.337 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.712 -10.187 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.497 -8.399 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.074 -8.922 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.565 -9.821 -0.017 1.00 0.00 H new ATOM 512 N SER A 36 5.696 -8.343 -3.213 1.00 0.00 N ATOM 513 CA SER A 36 4.399 -8.904 -3.576 1.00 0.00 C ATOM 514 C SER A 36 3.294 -8.192 -2.801 1.00 0.00 C ATOM 515 O SER A 36 2.994 -8.540 -1.659 1.00 0.00 O ATOM 516 CB SER A 36 4.379 -10.405 -3.285 1.00 0.00 C ATOM 517 OG SER A 36 3.071 -10.936 -3.420 1.00 0.00 O ATOM 0 H SER A 36 6.219 -7.941 -3.991 1.00 0.00 H new ATOM 0 HA SER A 36 4.228 -8.757 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.055 -10.919 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.746 -10.587 -2.275 1.00 0.00 H new ATOM 0 HG SER A 36 3.087 -11.897 -3.230 1.00 0.00 H new ATOM 523 N PRO A 37 2.700 -7.157 -3.413 1.00 0.00 N ATOM 524 CA PRO A 37 1.656 -6.350 -2.801 1.00 0.00 C ATOM 525 C PRO A 37 0.237 -6.768 -3.179 1.00 0.00 C ATOM 526 O PRO A 37 -0.043 -7.105 -4.331 1.00 0.00 O ATOM 527 CB PRO A 37 1.962 -4.966 -3.369 1.00 0.00 C ATOM 528 CG PRO A 37 2.628 -5.211 -4.695 1.00 0.00 C ATOM 529 CD PRO A 37 3.026 -6.660 -4.751 1.00 0.00 C ATOM 0 HA PRO A 37 1.668 -6.431 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.050 -4.382 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.614 -4.404 -2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.949 -4.970 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.503 -4.570 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.476 -7.197 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.086 -6.776 -4.975 1.00 0.00 H new ATOM 537 N HIS A 38 -0.654 -6.718 -2.194 1.00 0.00 N ATOM 538 CA HIS A 38 -2.053 -7.063 -2.392 1.00 0.00 C ATOM 539 C HIS A 38 -2.954 -6.027 -1.751 1.00 0.00 C ATOM 540 O HIS A 38 -2.499 -5.154 -1.011 1.00 0.00 O ATOM 541 CB HIS A 38 -2.373 -8.418 -1.774 1.00 0.00 C ATOM 542 CG HIS A 38 -2.687 -9.485 -2.764 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.646 -9.561 -3.716 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.995 -10.670 -2.820 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.517 -10.787 -4.321 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.515 -11.437 -3.761 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.425 -6.438 -1.240 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.228 -7.098 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.524 -8.738 -1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.221 -8.305 -1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.156 -10.933 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.135 -11.159 -5.125 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.196 -12.373 -4.012 1.00 0.00 H new ATOM 555 N PHE A 39 -4.238 -6.160 -2.016 1.00 0.00 N ATOM 556 CA PHE A 39 -5.228 -5.268 -1.442 1.00 0.00 C ATOM 557 C PHE A 39 -6.576 -5.965 -1.311 1.00 0.00 C ATOM 558 O PHE A 39 -7.275 -6.178 -2.302 1.00 0.00 O ATOM 559 CB PHE A 39 -5.362 -3.996 -2.266 1.00 0.00 C ATOM 560 CG PHE A 39 -4.800 -2.782 -1.584 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.437 -2.532 -1.584 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.641 -1.890 -0.939 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.925 -1.414 -0.953 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.135 -0.772 -0.305 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.776 -0.533 -0.313 1.00 0.00 C ATOM 0 H PHE A 39 -4.623 -6.880 -2.628 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.887 -4.991 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.854 -4.135 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.415 -3.824 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.768 -3.218 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.706 -2.071 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.861 -1.229 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.802 -0.086 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.378 0.341 0.180 1.00 0.00 H new ATOM 575 N VAL A 40 -6.939 -6.308 -0.081 1.00 0.00 N ATOM 576 CA VAL A 40 -8.199 -6.965 0.184 1.00 0.00 C ATOM 577 C VAL A 40 -9.284 -5.919 0.418 1.00 0.00 C ATOM 578 O VAL A 40 -9.512 -5.469 1.543 1.00 0.00 O ATOM 579 CB VAL A 40 -8.079 -7.897 1.402 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.418 -8.526 1.726 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.023 -8.968 1.150 1.00 0.00 C ATOM 0 H VAL A 40 -6.370 -6.138 0.748 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.469 -7.571 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.767 -7.305 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.312 -9.182 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.143 -7.743 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.764 -9.106 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.950 -9.619 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.304 -9.558 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.059 -8.493 0.971 1.00 0.00 H new ATOM 585 N LEU A 41 -9.921 -5.517 -0.676 1.00 0.00 N ATOM 586 CA LEU A 41 -10.964 -4.499 -0.650 1.00 0.00 C ATOM 587 C LEU A 41 -12.347 -5.107 -0.449 1.00 0.00 C ATOM 588 O LEU A 41 -12.671 -6.139 -1.030 1.00 0.00 O ATOM 589 CB LEU A 41 -10.935 -3.727 -1.969 1.00 0.00 C ATOM 590 CG LEU A 41 -11.783 -2.459 -2.015 1.00 0.00 C ATOM 591 CD1 LEU A 41 -10.995 -1.263 -1.509 1.00 0.00 C ATOM 592 CD2 LEU A 41 -12.276 -2.219 -3.434 1.00 0.00 C ATOM 0 H LEU A 41 -9.729 -5.888 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.770 -3.834 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.902 -3.459 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.267 -4.393 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.645 -2.590 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.620 -0.371 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.685 -1.441 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.113 -1.118 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.881 -1.313 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.422 -2.105 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.879 -3.067 -3.758 1.00 0.00 H new ATOM 598 N ASN A 42 -13.168 -4.449 0.360 1.00 0.00 N ATOM 599 CA ASN A 42 -14.525 -4.925 0.609 1.00 0.00 C ATOM 600 C ASN A 42 -15.477 -3.781 0.935 1.00 0.00 C ATOM 601 O ASN A 42 -15.065 -2.689 1.328 1.00 0.00 O ATOM 602 CB ASN A 42 -14.559 -5.955 1.735 1.00 0.00 C ATOM 603 CG ASN A 42 -13.587 -7.090 1.508 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.660 -7.795 0.501 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.671 -7.277 2.445 1.00 0.00 N ATOM 0 H ASN A 42 -12.922 -3.590 0.852 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.859 -5.400 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.326 -5.464 2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.568 -6.357 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.989 -8.029 2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.647 -6.669 3.263 1.00 0.00 H new ATOM 610 N LYS A 43 -16.758 -4.058 0.768 1.00 0.00 N ATOM 611 CA LYS A 43 -17.808 -3.086 1.039 1.00 0.00 C ATOM 612 C LYS A 43 -18.815 -3.679 2.010 1.00 0.00 C ATOM 613 O LYS A 43 -18.832 -4.888 2.238 1.00 0.00 O ATOM 614 CB LYS A 43 -18.536 -2.703 -0.261 1.00 0.00 C ATOM 615 CG LYS A 43 -20.044 -2.513 -0.086 1.00 0.00 C ATOM 616 CD LYS A 43 -20.723 -2.165 -1.401 1.00 0.00 C ATOM 617 CE LYS A 43 -21.763 -1.072 -1.218 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.969 -1.306 -2.060 1.00 0.00 N ATOM 0 H LYS A 43 -17.102 -4.961 0.441 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.351 -2.195 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.105 -1.781 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.360 -3.477 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.481 -3.426 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.229 -1.721 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.974 -1.839 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.198 -3.055 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.056 -1.022 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.324 -0.107 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.654 -0.539 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.693 -1.328 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.403 -2.215 -1.800 1.00 0.00 H new ATOM 632 N VAL A 44 -19.678 -2.831 2.544 1.00 0.00 N ATOM 633 CA VAL A 44 -20.711 -3.284 3.446 1.00 0.00 C ATOM 634 C VAL A 44 -21.843 -2.262 3.559 1.00 0.00 C ATOM 635 O VAL A 44 -21.656 -1.080 3.281 1.00 0.00 O ATOM 636 CB VAL A 44 -20.155 -3.584 4.838 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.447 -4.932 4.860 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.228 -2.476 5.317 1.00 0.00 C ATOM 0 H VAL A 44 -19.680 -1.827 2.366 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.109 -4.207 3.023 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.998 -3.630 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.060 -5.123 5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.152 -5.718 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.622 -4.921 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.851 -2.721 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.392 -2.377 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.777 -1.535 5.360 1.00 0.00 H new ATOM 642 N PRO A 45 -23.041 -2.707 3.965 1.00 0.00 N ATOM 643 CA PRO A 45 -24.202 -1.823 4.104 1.00 0.00 C ATOM 644 C PRO A 45 -23.891 -0.567 4.914 1.00 0.00 C ATOM 645 O PRO A 45 -24.309 0.534 4.557 1.00 0.00 O ATOM 646 CB PRO A 45 -25.222 -2.694 4.838 1.00 0.00 C ATOM 647 CG PRO A 45 -24.859 -4.090 4.472 1.00 0.00 C ATOM 648 CD PRO A 45 -23.362 -4.104 4.314 1.00 0.00 C ATOM 0 HA PRO A 45 -24.548 -1.454 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.171 -2.541 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.240 -2.456 4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.176 -4.790 5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.351 -4.391 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.864 -4.413 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.047 -4.796 3.533 1.00 0.00 H new ATOM 656 N ASN A 46 -23.166 -0.746 6.010 1.00 0.00 N ATOM 657 CA ASN A 46 -22.805 0.366 6.885 1.00 0.00 C ATOM 658 C ASN A 46 -21.599 1.151 6.361 1.00 0.00 C ATOM 659 O ASN A 46 -21.103 2.049 7.043 1.00 0.00 O ATOM 660 CB ASN A 46 -22.510 -0.150 8.294 1.00 0.00 C ATOM 661 CG ASN A 46 -23.736 -0.744 8.961 1.00 0.00 C ATOM 662 OD1 ASN A 46 -23.749 -1.919 9.327 1.00 0.00 O ATOM 663 ND2 ASN A 46 -24.774 0.068 9.121 1.00 0.00 N ATOM 0 H ASN A 46 -22.814 -1.653 6.317 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.656 1.047 6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.725 -0.905 8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.128 0.668 8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -25.627 -0.275 9.563 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -24.719 1.035 8.802 1.00 0.00 H new ATOM 668 N GLY A 47 -21.120 0.815 5.164 1.00 0.00 N ATOM 669 CA GLY A 47 -19.976 1.512 4.616 1.00 0.00 C ATOM 670 C GLY A 47 -19.116 0.633 3.742 1.00 0.00 C ATOM 671 O GLY A 47 -19.600 -0.254 3.044 1.00 0.00 O ATOM 0 H GLY A 47 -21.503 0.078 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.322 2.367 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.371 1.906 5.433 1.00 0.00 H new ATOM 675 N PHE A 48 -17.833 0.898 3.786 1.00 0.00 N ATOM 676 CA PHE A 48 -16.858 0.158 3.014 1.00 0.00 C ATOM 677 C PHE A 48 -15.738 -0.337 3.916 1.00 0.00 C ATOM 678 O PHE A 48 -15.135 0.449 4.653 1.00 0.00 O ATOM 679 CB PHE A 48 -16.256 1.049 1.933 1.00 0.00 C ATOM 680 CG PHE A 48 -17.130 1.269 0.735 1.00 0.00 C ATOM 681 CD1 PHE A 48 -18.047 2.307 0.701 1.00 0.00 C ATOM 682 CD2 PHE A 48 -17.013 0.449 -0.367 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.831 2.515 -0.417 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.793 0.646 -1.485 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.702 1.680 -1.512 1.00 0.00 C ATOM 0 H PHE A 48 -17.431 1.638 4.362 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.363 -0.691 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.017 2.017 2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.316 0.608 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.150 2.959 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.298 -0.361 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.543 3.327 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.692 -0.009 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.314 1.839 -2.388 1.00 0.00 H new ATOM 695 N SER A 49 -15.440 -1.629 3.843 1.00 0.00 N ATOM 696 CA SER A 49 -14.364 -2.194 4.636 1.00 0.00 C ATOM 697 C SER A 49 -13.213 -2.564 3.729 1.00 0.00 C ATOM 698 O SER A 49 -13.354 -3.362 2.804 1.00 0.00 O ATOM 699 CB SER A 49 -14.815 -3.407 5.435 1.00 0.00 C ATOM 700 OG SER A 49 -16.153 -3.762 5.130 1.00 0.00 O ATOM 0 H SER A 49 -15.927 -2.298 3.246 1.00 0.00 H new ATOM 0 HA SER A 49 -14.044 -1.439 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.157 -4.249 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.728 -3.195 6.501 1.00 0.00 H new ATOM 0 HG SER A 49 -16.412 -4.546 5.658 1.00 0.00 H new ATOM 706 N VAL A 50 -12.082 -1.960 3.994 1.00 0.00 N ATOM 707 CA VAL A 50 -10.890 -2.189 3.196 1.00 0.00 C ATOM 708 C VAL A 50 -9.762 -2.760 4.043 1.00 0.00 C ATOM 709 O VAL A 50 -9.676 -2.487 5.238 1.00 0.00 O ATOM 710 CB VAL A 50 -10.399 -0.882 2.536 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.672 -1.182 1.237 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.559 0.076 2.293 1.00 0.00 C ATOM 0 H VAL A 50 -11.955 -1.300 4.761 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.162 -2.906 2.422 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.701 -0.399 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.333 -0.249 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.812 -1.820 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.348 -1.692 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.186 0.988 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.288 -0.395 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.033 0.321 3.243 1.00 0.00 H new ATOM 716 N GLU A 51 -8.896 -3.545 3.413 1.00 0.00 N ATOM 717 CA GLU A 51 -7.763 -4.147 4.105 1.00 0.00 C ATOM 718 C GLU A 51 -6.607 -4.349 3.138 1.00 0.00 C ATOM 719 O GLU A 51 -6.749 -5.010 2.109 1.00 0.00 O ATOM 720 CB GLU A 51 -8.169 -5.474 4.745 1.00 0.00 C ATOM 721 CG GLU A 51 -7.019 -6.227 5.398 1.00 0.00 C ATOM 722 CD GLU A 51 -7.264 -7.722 5.459 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.404 -8.344 4.385 1.00 0.00 O ATOM 724 OE2 GLU A 51 -7.317 -8.271 6.579 1.00 0.00 O ATOM 0 H GLU A 51 -8.957 -3.780 2.422 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.439 -3.473 4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.937 -5.283 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.619 -6.110 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.101 -6.035 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.866 -5.846 6.408 1.00 0.00 H new ATOM 731 N ALA A 52 -5.465 -3.766 3.471 1.00 0.00 N ATOM 732 CA ALA A 52 -4.282 -3.869 2.628 1.00 0.00 C ATOM 733 C ALA A 52 -3.275 -4.855 3.206 1.00 0.00 C ATOM 734 O ALA A 52 -3.214 -5.056 4.419 1.00 0.00 O ATOM 735 CB ALA A 52 -3.640 -2.501 2.453 1.00 0.00 C ATOM 0 H ALA A 52 -5.332 -3.216 4.320 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.595 -4.242 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.757 -2.592 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.353 -1.822 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.350 -2.108 3.427 1.00 0.00 H new ATOM 741 N SER A 53 -2.486 -5.465 2.325 1.00 0.00 N ATOM 742 CA SER A 53 -1.477 -6.427 2.741 1.00 0.00 C ATOM 743 C SER A 53 -0.314 -6.460 1.754 1.00 0.00 C ATOM 744 O SER A 53 -0.413 -7.044 0.676 1.00 0.00 O ATOM 745 CB SER A 53 -2.087 -7.821 2.872 1.00 0.00 C ATOM 746 OG SER A 53 -3.329 -7.775 3.551 1.00 0.00 O ATOM 0 H SER A 53 -2.528 -5.308 1.318 1.00 0.00 H new ATOM 0 HA SER A 53 -1.097 -6.113 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.227 -8.254 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.399 -8.473 3.411 1.00 0.00 H new ATOM 0 HG SER A 53 -3.698 -8.680 3.620 1.00 0.00 H new ATOM 752 N ILE A 54 0.790 -5.832 2.141 1.00 0.00 N ATOM 753 CA ILE A 54 1.986 -5.787 1.306 1.00 0.00 C ATOM 754 C ILE A 54 3.163 -6.425 2.037 1.00 0.00 C ATOM 755 O ILE A 54 3.045 -6.794 3.203 1.00 0.00 O ATOM 756 CB ILE A 54 2.351 -4.335 0.912 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.083 -3.514 0.644 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.258 -4.329 -0.311 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.355 -2.105 0.151 1.00 0.00 C ATOM 0 H ILE A 54 0.882 -5.344 3.032 1.00 0.00 H new ATOM 0 HA ILE A 54 1.771 -6.346 0.395 1.00 0.00 H new ATOM 0 HB ILE A 54 2.887 -3.877 1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.474 -4.035 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.496 -3.461 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.506 -3.301 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.174 -4.877 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.745 -4.805 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.409 -1.589 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.937 -1.564 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.914 -2.148 -0.784 1.00 0.00 H new ATOM 763 N GLY A 55 4.296 -6.552 1.356 1.00 0.00 N ATOM 764 CA GLY A 55 5.464 -7.138 1.968 1.00 0.00 C ATOM 765 C GLY A 55 6.648 -6.210 1.918 1.00 0.00 C ATOM 766 O GLY A 55 6.795 -5.417 0.989 1.00 0.00 O ATOM 0 H GLY A 55 4.422 -6.257 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.243 -7.389 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.711 -8.070 1.460 1.00 0.00 H new ATOM 770 N THR A 56 7.494 -6.318 2.917 1.00 0.00 N ATOM 771 CA THR A 56 8.688 -5.489 2.998 1.00 0.00 C ATOM 772 C THR A 56 9.841 -6.257 3.628 1.00 0.00 C ATOM 773 O THR A 56 9.647 -6.968 4.614 1.00 0.00 O ATOM 774 CB THR A 56 8.439 -4.217 3.818 1.00 0.00 C ATOM 775 OG1 THR A 56 8.968 -4.352 5.134 1.00 0.00 O ATOM 776 CG2 THR A 56 6.977 -3.840 3.922 1.00 0.00 C ATOM 0 H THR A 56 7.382 -6.973 3.691 1.00 0.00 H new ATOM 0 HA THR A 56 8.945 -5.209 1.976 1.00 0.00 H new ATOM 0 HB THR A 56 8.950 -3.420 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.232 -4.450 5.774 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.877 -2.931 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.574 -3.668 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.426 -4.649 4.401 1.00 0.00 H new ATOM 781 N PRO A 57 11.067 -6.106 3.100 1.00 0.00 N ATOM 782 CA PRO A 57 12.229 -6.779 3.671 1.00 0.00 C ATOM 783 C PRO A 57 12.354 -6.507 5.169 1.00 0.00 C ATOM 784 O PRO A 57 13.068 -7.215 5.879 1.00 0.00 O ATOM 785 CB PRO A 57 13.418 -6.164 2.931 1.00 0.00 C ATOM 786 CG PRO A 57 12.859 -5.592 1.674 1.00 0.00 C ATOM 787 CD PRO A 57 11.418 -5.261 1.941 1.00 0.00 C ATOM 0 HA PRO A 57 12.164 -7.862 3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.897 -5.392 3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.177 -6.916 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.411 -4.700 1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.945 -6.306 0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.286 -4.202 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.790 -5.485 1.079 1.00 0.00 H new ATOM 795 N LEU A 58 11.665 -5.464 5.643 1.00 0.00 N ATOM 796 CA LEU A 58 11.720 -5.097 7.053 1.00 0.00 C ATOM 797 C LEU A 58 10.516 -5.647 7.816 1.00 0.00 C ATOM 798 O LEU A 58 10.565 -5.807 9.036 1.00 0.00 O ATOM 799 CB LEU A 58 11.786 -3.573 7.201 1.00 0.00 C ATOM 800 CG LEU A 58 12.338 -2.817 5.987 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.322 -1.318 6.240 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.749 -3.288 5.654 1.00 0.00 C ATOM 0 H LEU A 58 11.068 -4.866 5.072 1.00 0.00 H new ATOM 0 HA LEU A 58 12.621 -5.537 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.783 -3.202 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.404 -3.336 8.067 1.00 0.00 H new ATOM 0 HG LEU A 58 11.696 -3.030 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.717 -0.798 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.299 -0.991 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.939 -1.089 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.121 -2.739 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.403 -3.109 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.733 -4.354 5.427 1.00 0.00 H new ATOM 808 N GLY A 59 9.440 -5.937 7.093 1.00 0.00 N ATOM 809 CA GLY A 59 8.244 -6.469 7.720 1.00 0.00 C ATOM 810 C GLY A 59 7.013 -6.322 6.849 1.00 0.00 C ATOM 811 O GLY A 59 6.757 -5.250 6.302 1.00 0.00 O ATOM 0 H GLY A 59 9.374 -5.813 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.398 -7.523 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.077 -5.957 8.668 1.00 0.00 H new ATOM 815 N ASN A 60 6.253 -7.405 6.720 1.00 0.00 N ATOM 816 CA ASN A 60 5.043 -7.404 5.909 1.00 0.00 C ATOM 817 C ASN A 60 4.091 -6.291 6.332 1.00 0.00 C ATOM 818 O ASN A 60 3.878 -6.060 7.522 1.00 0.00 O ATOM 819 CB ASN A 60 4.331 -8.751 6.026 1.00 0.00 C ATOM 820 CG ASN A 60 5.270 -9.927 5.842 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.466 -9.751 5.611 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.731 -11.137 5.945 1.00 0.00 N ATOM 0 H ASN A 60 6.456 -8.298 7.169 1.00 0.00 H new ATOM 0 HA ASN A 60 5.338 -7.231 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.854 -8.822 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.538 -8.804 5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.314 -11.966 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.734 -11.237 6.138 1.00 0.00 H new ATOM 827 N LEU A 61 3.508 -5.614 5.348 1.00 0.00 N ATOM 828 CA LEU A 61 2.563 -4.539 5.617 1.00 0.00 C ATOM 829 C LEU A 61 1.137 -5.069 5.612 1.00 0.00 C ATOM 830 O LEU A 61 0.781 -5.905 4.784 1.00 0.00 O ATOM 831 CB LEU A 61 2.673 -3.432 4.567 1.00 0.00 C ATOM 832 CG LEU A 61 3.987 -2.650 4.553 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.477 -2.472 3.123 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.808 -1.294 5.221 1.00 0.00 C ATOM 0 H LEU A 61 3.674 -5.792 4.357 1.00 0.00 H new ATOM 0 HA LEU A 61 2.806 -4.132 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.527 -3.876 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.856 -2.728 4.723 1.00 0.00 H new ATOM 0 HG LEU A 61 4.733 -3.215 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.413 -1.914 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.639 -3.450 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.730 -1.925 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.753 -0.751 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.050 -0.722 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.492 -1.436 6.254 1.00 0.00 H new ATOM 840 N LEU A 62 0.323 -4.560 6.524 1.00 0.00 N ATOM 841 CA LEU A 62 -1.071 -4.960 6.614 1.00 0.00 C ATOM 842 C LEU A 62 -1.894 -3.832 7.213 1.00 0.00 C ATOM 843 O LEU A 62 -1.389 -3.030 7.997 1.00 0.00 O ATOM 844 CB LEU A 62 -1.235 -6.224 7.458 1.00 0.00 C ATOM 845 CG LEU A 62 -0.256 -7.357 7.141 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.272 -8.404 8.244 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.595 -7.990 5.798 1.00 0.00 C ATOM 0 H LEU A 62 0.607 -3.866 7.215 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.425 -5.177 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.126 -5.956 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.251 -6.598 7.329 1.00 0.00 H new ATOM 0 HG LEU A 62 0.749 -6.938 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.431 -9.201 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.017 -7.942 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.275 -8.820 8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.110 -8.794 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.607 -8.394 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.531 -7.236 5.014 1.00 0.00 H new ATOM 853 N ALA A 63 -3.157 -3.775 6.838 1.00 0.00 N ATOM 854 CA ALA A 63 -4.052 -2.742 7.336 1.00 0.00 C ATOM 855 C ALA A 63 -5.500 -3.083 7.030 1.00 0.00 C ATOM 856 O ALA A 63 -5.783 -3.939 6.192 1.00 0.00 O ATOM 857 CB ALA A 63 -3.687 -1.391 6.742 1.00 0.00 C ATOM 0 H ALA A 63 -3.590 -4.432 6.189 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.938 -2.689 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.366 -0.630 7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.664 -1.136 7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.769 -1.437 5.656 1.00 0.00 H new ATOM 863 N SER A 64 -6.415 -2.408 7.713 1.00 0.00 N ATOM 864 CA SER A 64 -7.841 -2.641 7.515 1.00 0.00 C ATOM 865 C SER A 64 -8.666 -1.534 8.165 1.00 0.00 C ATOM 866 O SER A 64 -8.407 -1.142 9.302 1.00 0.00 O ATOM 867 CB SER A 64 -8.241 -4.000 8.090 1.00 0.00 C ATOM 868 OG SER A 64 -7.314 -4.434 9.070 1.00 0.00 O ATOM 0 H SER A 64 -6.196 -1.695 8.409 1.00 0.00 H new ATOM 0 HA SER A 64 -8.042 -2.637 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.236 -3.933 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.297 -4.735 7.287 1.00 0.00 H new ATOM 0 HG SER A 64 -7.594 -5.304 9.422 1.00 0.00 H new ATOM 874 N ALA A 65 -9.660 -1.032 7.437 1.00 0.00 N ATOM 875 CA ALA A 65 -10.514 0.031 7.952 1.00 0.00 C ATOM 876 C ALA A 65 -11.932 -0.071 7.396 1.00 0.00 C ATOM 877 O ALA A 65 -12.162 -0.690 6.358 1.00 0.00 O ATOM 878 CB ALA A 65 -9.916 1.391 7.624 1.00 0.00 C ATOM 0 H ALA A 65 -9.892 -1.343 6.494 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.572 -0.082 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.563 2.177 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.929 1.474 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.826 1.498 6.543 1.00 0.00 H new ATOM 884 N THR A 66 -12.876 0.547 8.099 1.00 0.00 N ATOM 885 CA THR A 66 -14.276 0.539 7.689 1.00 0.00 C ATOM 886 C THR A 66 -14.855 1.948 7.751 1.00 0.00 C ATOM 887 O THR A 66 -14.702 2.641 8.756 1.00 0.00 O ATOM 888 CB THR A 66 -15.088 -0.394 8.590 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.570 -1.712 8.547 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.554 -0.462 8.220 1.00 0.00 C ATOM 0 H THR A 66 -12.695 1.063 8.960 1.00 0.00 H new ATOM 0 HA THR A 66 -14.332 0.178 6.662 1.00 0.00 H new ATOM 0 HB THR A 66 -15.004 0.030 9.591 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.102 -2.292 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.070 -1.141 8.899 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.995 0.532 8.297 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.655 -0.826 7.197 1.00 0.00 H new ATOM 895 N SER A 67 -15.519 2.374 6.679 1.00 0.00 N ATOM 896 CA SER A 67 -16.105 3.707 6.643 1.00 0.00 C ATOM 897 C SER A 67 -17.060 3.857 5.469 1.00 0.00 C ATOM 898 O SER A 67 -16.979 3.117 4.492 1.00 0.00 O ATOM 899 CB SER A 67 -15.005 4.762 6.543 1.00 0.00 C ATOM 900 OG SER A 67 -14.984 5.594 7.690 1.00 0.00 O ATOM 0 H SER A 67 -15.663 1.821 5.834 1.00 0.00 H new ATOM 0 HA SER A 67 -16.667 3.850 7.566 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.038 4.272 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.162 5.371 5.652 1.00 0.00 H new ATOM 0 HG SER A 67 -14.269 6.258 7.599 1.00 0.00 H new ATOM 906 N ASP A 68 -17.950 4.836 5.563 1.00 0.00 N ATOM 907 CA ASP A 68 -18.906 5.096 4.499 1.00 0.00 C ATOM 908 C ASP A 68 -18.251 5.868 3.355 1.00 0.00 C ATOM 909 O ASP A 68 -18.915 6.237 2.386 1.00 0.00 O ATOM 910 CB ASP A 68 -20.103 5.882 5.040 1.00 0.00 C ATOM 911 CG ASP A 68 -21.417 5.422 4.442 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.404 4.921 3.298 1.00 0.00 O ATOM 913 OD2 ASP A 68 -22.458 5.561 5.116 1.00 0.00 O ATOM 0 H ASP A 68 -18.029 5.462 6.365 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.254 4.137 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.144 5.775 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.963 6.942 4.829 1.00 0.00 H new ATOM 918 N ASP A 69 -16.943 6.111 3.470 1.00 0.00 N ATOM 919 CA ASP A 69 -16.213 6.837 2.442 1.00 0.00 C ATOM 920 C ASP A 69 -15.139 5.957 1.808 1.00 0.00 C ATOM 921 O ASP A 69 -14.040 5.815 2.338 1.00 0.00 O ATOM 922 CB ASP A 69 -15.582 8.097 3.034 1.00 0.00 C ATOM 923 CG ASP A 69 -16.558 9.257 3.097 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.771 9.004 3.257 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.109 10.417 2.987 1.00 0.00 O ATOM 0 H ASP A 69 -16.375 5.815 4.263 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.919 7.125 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.215 7.880 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.719 8.384 2.434 1.00 0.00 H new ATOM 930 N MET A 70 -15.487 5.365 0.673 1.00 0.00 N ATOM 931 CA MET A 70 -14.597 4.479 -0.074 1.00 0.00 C ATOM 932 C MET A 70 -13.140 4.951 -0.079 1.00 0.00 C ATOM 933 O MET A 70 -12.265 4.319 0.526 1.00 0.00 O ATOM 934 CB MET A 70 -15.108 4.373 -1.512 1.00 0.00 C ATOM 935 CG MET A 70 -15.701 3.016 -1.851 1.00 0.00 C ATOM 936 SD MET A 70 -14.915 2.246 -3.278 1.00 0.00 S ATOM 937 CE MET A 70 -13.475 1.519 -2.503 1.00 0.00 C ATOM 0 H MET A 70 -16.402 5.486 0.239 1.00 0.00 H new ATOM 0 HA MET A 70 -14.606 3.508 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.863 5.141 -1.677 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.286 4.582 -2.197 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.603 2.357 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.767 3.129 -2.047 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.622 1.596 -3.177 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.254 2.048 -1.576 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.671 0.469 -2.284 1.00 0.00 H new ATOM 947 N TYR A 71 -12.877 6.043 -0.788 1.00 0.00 N ATOM 948 CA TYR A 71 -11.522 6.562 -0.899 1.00 0.00 C ATOM 949 C TYR A 71 -10.975 7.021 0.438 1.00 0.00 C ATOM 950 O TYR A 71 -9.764 7.038 0.629 1.00 0.00 O ATOM 951 CB TYR A 71 -11.451 7.663 -1.954 1.00 0.00 C ATOM 952 CG TYR A 71 -11.110 7.109 -3.321 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.355 5.770 -3.617 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.533 7.900 -4.303 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.043 5.239 -4.846 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.216 7.375 -5.543 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.473 6.044 -5.810 1.00 0.00 C ATOM 958 OH TYR A 71 -10.161 5.520 -7.043 1.00 0.00 O ATOM 0 H TYR A 71 -13.581 6.582 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.880 5.744 -1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.407 8.184 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.701 8.398 -1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.800 5.135 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.328 8.940 -4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.243 4.198 -5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.769 8.003 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.400 6.007 -7.422 1.00 0.00 H new ATOM 968 N LYS A 72 -11.858 7.341 1.377 1.00 0.00 N ATOM 969 CA LYS A 72 -11.418 7.737 2.705 1.00 0.00 C ATOM 970 C LYS A 72 -10.977 6.492 3.461 1.00 0.00 C ATOM 971 O LYS A 72 -9.975 6.499 4.169 1.00 0.00 O ATOM 972 CB LYS A 72 -12.519 8.429 3.465 1.00 0.00 C ATOM 973 CG LYS A 72 -12.059 9.074 4.761 1.00 0.00 C ATOM 974 CD LYS A 72 -11.774 10.557 4.577 1.00 0.00 C ATOM 975 CE LYS A 72 -10.481 10.965 5.262 1.00 0.00 C ATOM 976 NZ LYS A 72 -10.649 11.109 6.736 1.00 0.00 N ATOM 0 H LYS A 72 -12.869 7.334 1.244 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.590 8.439 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.963 9.194 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.303 7.706 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.824 8.942 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.160 8.572 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.712 10.787 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.601 11.140 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.712 10.221 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.132 11.909 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.743 11.388 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.364 11.837 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.957 10.202 7.141 1.00 0.00 H new ATOM 990 N ALA A 73 -11.721 5.399 3.264 1.00 0.00 N ATOM 991 CA ALA A 73 -11.381 4.128 3.883 1.00 0.00 C ATOM 992 C ALA A 73 -10.021 3.724 3.356 1.00 0.00 C ATOM 993 O ALA A 73 -9.117 3.363 4.111 1.00 0.00 O ATOM 994 CB ALA A 73 -12.428 3.070 3.565 1.00 0.00 C ATOM 0 H ALA A 73 -12.558 5.375 2.682 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.355 4.225 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.150 2.129 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.398 3.394 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.486 2.929 2.486 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.871 3.879 2.042 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.603 3.625 1.386 1.00 0.00 C ATOM 1002 C ILE A 74 -7.610 4.642 1.931 1.00 0.00 C ATOM 1003 O ILE A 74 -6.451 4.333 2.222 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.752 3.760 -0.149 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.251 2.443 -0.732 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.449 4.176 -0.819 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.584 2.553 -1.431 1.00 0.00 C ATOM 0 H ILE A 74 -10.617 4.180 1.415 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.256 2.611 1.583 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.478 4.549 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.511 2.065 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.331 1.709 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.603 4.258 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.128 5.140 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.682 3.428 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.873 1.576 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.338 2.900 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.505 3.262 -2.255 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.128 5.855 2.112 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.385 6.960 2.673 1.00 0.00 C ATOM 1013 C ASN A 75 -6.839 6.558 4.036 1.00 0.00 C ATOM 1014 O ASN A 75 -5.700 6.866 4.388 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.334 8.155 2.780 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.645 9.471 2.547 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.926 9.980 3.407 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.868 10.027 1.369 1.00 0.00 N ATOM 0 H ASN A 75 -9.089 6.092 1.867 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.538 7.230 2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.140 8.039 2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.793 8.161 3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.435 10.921 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.473 9.562 0.692 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.669 5.837 4.785 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.297 5.344 6.103 1.00 0.00 C ATOM 1025 C GLU A 76 -6.267 4.220 5.974 1.00 0.00 C ATOM 1026 O GLU A 76 -5.184 4.283 6.565 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.541 4.842 6.843 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.810 5.573 8.148 1.00 0.00 C ATOM 1029 CD GLU A 76 -10.105 6.361 8.119 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.456 6.888 7.042 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -10.768 6.451 9.174 1.00 0.00 O ATOM 0 H GLU A 76 -8.613 5.580 4.495 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.853 6.159 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.408 4.948 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.426 3.778 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.847 4.851 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.982 6.250 8.358 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.605 3.195 5.183 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.704 2.069 4.964 1.00 0.00 C ATOM 1040 C VAL A 77 -4.307 2.559 4.644 1.00 0.00 C ATOM 1041 O VAL A 77 -3.333 2.166 5.287 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.171 1.176 3.806 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.347 -0.102 3.748 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.645 0.863 3.942 1.00 0.00 C ATOM 0 H VAL A 77 -7.494 3.126 4.688 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.704 1.488 5.886 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.022 1.716 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.694 -0.721 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.297 0.149 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.460 -0.650 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.960 0.229 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.821 0.343 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.217 1.791 3.927 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.217 3.430 3.644 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.934 3.980 3.247 1.00 0.00 C ATOM 1050 C GLU A 78 -2.248 4.611 4.448 1.00 0.00 C ATOM 1051 O GLU A 78 -1.025 4.554 4.582 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.110 5.010 2.129 1.00 0.00 C ATOM 1053 CG GLU A 78 -2.042 4.925 1.050 1.00 0.00 C ATOM 1054 CD GLU A 78 -0.888 5.877 1.295 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -1.081 6.869 2.029 1.00 0.00 O ATOM 1056 OE2 GLU A 78 0.210 5.629 0.753 1.00 0.00 O ATOM 0 H GLU A 78 -5.012 3.765 3.100 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.309 3.171 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.089 4.873 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.098 6.010 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.662 3.905 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.491 5.146 0.082 1.00 0.00 H new ATOM 1063 N GLU A 79 -3.051 5.189 5.335 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.525 5.802 6.541 1.00 0.00 C ATOM 1065 C GLU A 79 -1.913 4.727 7.423 1.00 0.00 C ATOM 1066 O GLU A 79 -0.812 4.892 7.949 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.628 6.552 7.292 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.317 8.022 7.519 1.00 0.00 C ATOM 1069 CD GLU A 79 -2.788 8.298 8.913 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -1.586 8.057 9.149 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -3.576 8.753 9.768 1.00 0.00 O ATOM 0 H GLU A 79 -4.065 5.244 5.239 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.756 6.525 6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.559 6.468 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.792 6.071 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.583 8.352 6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.220 8.610 7.354 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.620 3.605 7.556 1.00 0.00 N ATOM 1079 CA LYS A 80 -2.113 2.495 8.349 1.00 0.00 C ATOM 1080 C LYS A 80 -0.841 1.963 7.707 1.00 0.00 C ATOM 1081 O LYS A 80 0.222 1.939 8.327 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.154 1.376 8.454 1.00 0.00 C ATOM 1083 CG LYS A 80 -4.328 1.718 9.358 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.184 1.073 10.728 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.651 2.004 11.835 1.00 0.00 C ATOM 1086 NZ LYS A 80 -4.895 1.273 13.109 1.00 0.00 N ATOM 0 H LYS A 80 -3.533 3.445 7.130 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.898 2.851 9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.529 1.146 7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.669 0.474 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.399 2.800 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.256 1.384 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.763 0.150 10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.142 0.801 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.901 2.778 11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.567 2.507 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.212 1.943 13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.628 0.551 12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.015 0.814 13.420 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.958 1.559 6.443 1.00 0.00 N ATOM 1101 CA LEU A 81 0.180 1.044 5.687 1.00 0.00 C ATOM 1102 C LEU A 81 1.377 1.989 5.812 1.00 0.00 C ATOM 1103 O LEU A 81 2.496 1.552 6.090 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.207 0.845 4.211 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.343 -0.610 3.742 1.00 0.00 C ATOM 1106 CD1 LEU A 81 0.978 -1.112 3.182 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.824 -1.513 4.871 1.00 0.00 C ATOM 0 H LEU A 81 -1.834 1.579 5.920 1.00 0.00 H new ATOM 0 HA LEU A 81 0.466 0.077 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.154 1.354 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.541 1.338 3.590 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.092 -0.639 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.865 -2.145 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.273 -0.492 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.745 -1.059 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.910 -2.537 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.109 -1.479 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.797 -1.170 5.222 1.00 0.00 H new ATOM 1113 N GLU A 82 1.137 3.290 5.628 1.00 0.00 N ATOM 1114 CA GLU A 82 2.206 4.275 5.747 1.00 0.00 C ATOM 1115 C GLU A 82 2.749 4.282 7.170 1.00 0.00 C ATOM 1116 O GLU A 82 3.963 4.228 7.387 1.00 0.00 O ATOM 1117 CB GLU A 82 1.692 5.665 5.374 1.00 0.00 C ATOM 1118 CG GLU A 82 2.786 6.620 4.930 1.00 0.00 C ATOM 1119 CD GLU A 82 2.958 7.790 5.882 1.00 0.00 C ATOM 1120 OE1 GLU A 82 3.324 7.553 7.053 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.727 8.941 5.457 1.00 0.00 O ATOM 0 H GLU A 82 0.222 3.679 5.399 1.00 0.00 H new ATOM 0 HA GLU A 82 3.009 4.006 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.958 5.569 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.174 6.094 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.728 6.077 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.553 6.997 3.934 1.00 0.00 H new ATOM 1128 N ARG A 83 1.840 4.332 8.139 1.00 0.00 N ATOM 1129 CA ARG A 83 2.222 4.326 9.547 1.00 0.00 C ATOM 1130 C ARG A 83 3.144 3.147 9.836 1.00 0.00 C ATOM 1131 O ARG A 83 4.211 3.306 10.435 1.00 0.00 O ATOM 1132 CB ARG A 83 0.979 4.253 10.438 1.00 0.00 C ATOM 1133 CG ARG A 83 1.280 4.427 11.917 1.00 0.00 C ATOM 1134 CD ARG A 83 1.431 3.087 12.617 1.00 0.00 C ATOM 1135 NE ARG A 83 1.670 3.241 14.050 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.714 3.505 14.937 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -0.546 3.643 14.543 1.00 0.00 N ATOM 1138 NH2 ARG A 83 1.017 3.630 16.222 1.00 0.00 N ATOM 0 H ARG A 83 0.834 4.377 7.975 1.00 0.00 H new ATOM 0 HA ARG A 83 2.753 5.252 9.766 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.273 5.023 10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.489 3.291 10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.195 5.006 12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.478 4.996 12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.530 2.493 12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.257 2.535 12.169 1.00 0.00 H new ATOM 0 HE ARG A 83 2.626 3.140 14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.785 3.547 13.556 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.275 3.845 15.227 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.983 3.524 16.531 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.284 3.832 16.902 1.00 0.00 H new ATOM 1152 N GLN A 84 2.738 1.963 9.382 1.00 0.00 N ATOM 1153 CA GLN A 84 3.547 0.764 9.575 1.00 0.00 C ATOM 1154 C GLN A 84 4.878 0.942 8.859 1.00 0.00 C ATOM 1155 O GLN A 84 5.938 0.699 9.433 1.00 0.00 O ATOM 1156 CB GLN A 84 2.834 -0.495 9.063 1.00 0.00 C ATOM 1157 CG GLN A 84 1.317 -0.391 9.042 1.00 0.00 C ATOM 1158 CD GLN A 84 0.630 -1.672 9.471 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.210 -2.756 9.403 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.614 -1.550 9.919 1.00 0.00 N ATOM 0 H GLN A 84 1.862 1.810 8.883 1.00 0.00 H new ATOM 0 HA GLN A 84 3.712 0.629 10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.185 -0.712 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.120 -1.340 9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.005 0.420 9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.990 -0.129 8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.054 -0.631 9.957 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.129 -2.376 10.225 1.00 0.00 H new ATOM 1167 N LEU A 85 4.814 1.402 7.606 1.00 0.00 N ATOM 1168 CA LEU A 85 6.019 1.650 6.816 1.00 0.00 C ATOM 1169 C LEU A 85 7.014 2.458 7.645 1.00 0.00 C ATOM 1170 O LEU A 85 8.157 2.035 7.878 1.00 0.00 O ATOM 1171 CB LEU A 85 5.658 2.413 5.533 1.00 0.00 C ATOM 1172 CG LEU A 85 5.449 1.543 4.289 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.142 1.907 3.600 1.00 0.00 C ATOM 1174 CD2 LEU A 85 6.617 1.692 3.322 1.00 0.00 C ATOM 0 H LEU A 85 3.942 1.609 7.120 1.00 0.00 H new ATOM 0 HA LEU A 85 6.472 0.698 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.747 2.984 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.449 3.133 5.324 1.00 0.00 H new ATOM 0 HG LEU A 85 5.398 0.501 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.009 1.280 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.311 1.748 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.168 2.954 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.447 1.065 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.702 2.733 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.539 1.384 3.815 1.00 0.00 H new ATOM 1180 N ASN A 86 6.551 3.614 8.120 1.00 0.00 N ATOM 1181 CA ASN A 86 7.370 4.476 8.958 1.00 0.00 C ATOM 1182 C ASN A 86 7.821 3.699 10.185 1.00 0.00 C ATOM 1183 O ASN A 86 8.940 3.871 10.668 1.00 0.00 O ATOM 1184 CB ASN A 86 6.588 5.725 9.372 1.00 0.00 C ATOM 1185 CG ASN A 86 7.497 6.882 9.737 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.539 7.089 9.115 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.106 7.645 10.751 1.00 0.00 N ATOM 0 H ASN A 86 5.613 3.971 7.937 1.00 0.00 H new ATOM 0 HA ASN A 86 8.245 4.800 8.394 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.931 6.026 8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.950 5.485 10.223 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.677 8.439 11.042 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.235 7.437 11.239 1.00 0.00 H new ATOM 1192 N LYS A 87 6.948 2.814 10.661 1.00 0.00 N ATOM 1193 CA LYS A 87 7.266 1.977 11.808 1.00 0.00 C ATOM 1194 C LYS A 87 8.430 1.065 11.463 1.00 0.00 C ATOM 1195 O LYS A 87 9.359 0.896 12.251 1.00 0.00 O ATOM 1196 CB LYS A 87 6.062 1.126 12.206 1.00 0.00 C ATOM 1197 CG LYS A 87 5.746 1.173 13.692 1.00 0.00 C ATOM 1198 CD LYS A 87 6.279 -0.054 14.415 1.00 0.00 C ATOM 1199 CE LYS A 87 5.155 -0.998 14.812 1.00 0.00 C ATOM 1200 NZ LYS A 87 5.665 -2.195 15.536 1.00 0.00 N ATOM 0 H LYS A 87 6.019 2.661 10.270 1.00 0.00 H new ATOM 0 HA LYS A 87 7.532 2.623 12.645 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.189 1.463 11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.247 0.092 11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.181 2.072 14.129 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.667 1.240 13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.986 -0.578 13.772 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.827 0.256 15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.442 -0.468 15.444 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.616 -1.316 13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.868 -2.813 15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.326 -2.715 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.158 -1.894 16.401 1.00 0.00 H new ATOM 1214 N LEU A 88 8.369 0.477 10.271 1.00 0.00 N ATOM 1215 CA LEU A 88 9.417 -0.419 9.817 1.00 0.00 C ATOM 1216 C LEU A 88 10.753 0.305 9.792 1.00 0.00 C ATOM 1217 O LEU A 88 11.705 -0.099 10.459 1.00 0.00 O ATOM 1218 CB LEU A 88 9.110 -0.966 8.417 1.00 0.00 C ATOM 1219 CG LEU A 88 7.680 -1.458 8.191 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.571 -2.191 6.862 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.237 -2.357 9.334 1.00 0.00 C ATOM 0 H LEU A 88 7.606 0.607 9.607 1.00 0.00 H new ATOM 0 HA LEU A 88 9.466 -1.254 10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.324 -0.185 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.794 -1.790 8.212 1.00 0.00 H new ATOM 0 HG LEU A 88 7.020 -0.591 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.546 -2.534 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.845 -1.516 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.244 -3.049 6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.217 -2.697 9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.901 -3.219 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.275 -1.800 10.270 1.00 0.00 H new ATOM 1227 N GLN A 89 10.815 1.384 9.019 1.00 0.00 N ATOM 1228 CA GLN A 89 12.046 2.166 8.914 1.00 0.00 C ATOM 1229 C GLN A 89 12.421 2.773 10.263 1.00 0.00 C ATOM 1230 O GLN A 89 13.585 3.091 10.509 1.00 0.00 O ATOM 1231 CB GLN A 89 11.902 3.264 7.859 1.00 0.00 C ATOM 1232 CG GLN A 89 11.509 2.731 6.494 1.00 0.00 C ATOM 1233 CD GLN A 89 10.167 3.241 6.033 1.00 0.00 C ATOM 1234 OE1 GLN A 89 9.541 4.075 6.688 1.00 0.00 O ATOM 1235 NE2 GLN A 89 9.719 2.741 4.895 1.00 0.00 N ATOM 0 H GLN A 89 10.037 1.736 8.461 1.00 0.00 H new ATOM 0 HA GLN A 89 12.846 1.493 8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.153 3.983 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.845 3.804 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.270 3.013 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.487 1.642 6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.274 2.052 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.819 3.044 4.524 1.00 0.00 H new ATOM 1242 N HIS A 90 11.431 2.920 11.140 1.00 0.00 N ATOM 1243 CA HIS A 90 11.661 3.476 12.468 1.00 0.00 C ATOM 1244 C HIS A 90 12.232 2.417 13.400 1.00 0.00 C ATOM 1245 O HIS A 90 13.382 2.500 13.830 1.00 0.00 O ATOM 1246 CB HIS A 90 10.354 4.006 13.056 1.00 0.00 C ATOM 1247 CG HIS A 90 10.030 5.407 12.638 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.530 5.984 11.489 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.252 6.349 13.222 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.074 7.221 11.386 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.297 7.465 12.424 1.00 0.00 N ATOM 0 H HIS A 90 10.462 2.661 10.954 1.00 0.00 H new ATOM 0 HA HIS A 90 12.375 4.294 12.371 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.538 3.349 12.756 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.412 3.965 14.144 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.154 5.528 10.823 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.699 6.242 14.144 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.299 7.913 10.588 1.00 0.00 H new