USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 730 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 74 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -9.11! C(o=-9.1!,f=-9.8!) USER MOD Set 2.1: A 80 GLN : amide:sc= 0.645 K(o=1.4,f=-1.5!) USER MOD Set 2.2: A 81 GLN : amide:sc= 0.712 K(o=1.4,f=-0.054) USER MOD Set 3.1: A 59 HIS : no HE2:sc= -0.0748 K(o=-0.075,f=-4.3!) USER MOD Set 3.2: A 61 MET CE :methyl -148:sc= 0 (180deg=0) USER MOD Set 4.1: A 25 LYS NZ :NH3+ -110:sc= 0.454 (180deg=-1.46!) USER MOD Set 4.2: A 31 SER OG : rot -74:sc= 0.978 USER MOD Set 5.1: A 11 GLN :FLIP amide:sc= -1.5 F(o=-4.2,f=-2.3) USER MOD Set 5.2: A 22 ASN : amide:sc= -0.76 K(o=-2.3,f=-4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 136:sc= -4.31! (180deg=-12.4!) USER MOD Single : A 17 ASN : amide:sc= -0.914 K(o=-0.91,f=-6.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -4.53 K(o=-4.5,f=-5.6!) USER MOD Single : A 35 HIS : no HE2:sc= -3.4 K(o=-3.4,f=-6.2!) USER MOD Single : A 36 TYR OH : rot -15:sc= -0.0035 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 15:sc= -1.15 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= -0.043 (180deg=-0.548) USER MOD Single : A 55 SER OG : rot 180:sc= 0.478 USER MOD Single : A 57 SER OG : rot 87:sc= 0.832 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -58:sc= 0.14 USER MOD Single : A 68 ASN : amide:sc= -0.635 K(o=-0.63,f=-2.4!) USER MOD Single : A 71 TYR OH : rot -130:sc= -0.144 USER MOD Single : A 79 ASN : amide:sc= -7.16! C(o=-7.2!,f=-10!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -170:sc= -0.285 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 110:sc= 0.575 USER MOD Single : A 94 SER OG : rot 180:sc= 0.15 USER MOD Single : A 96 GLN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 13 N GLY A 2 2.893 17.989 9.507 1.00 0.00 N ATOM 14 CA GLY A 2 3.004 17.156 8.276 1.00 0.00 C ATOM 15 C GLY A 2 1.617 16.711 7.799 1.00 0.00 C ATOM 16 O GLY A 2 0.626 16.920 8.471 1.00 0.00 O ATOM 0 HA2 GLY A 2 3.500 17.724 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.623 16.282 8.477 1.00 0.00 H new ATOM 20 N PRO A 3 1.592 16.107 6.639 1.00 0.00 N ATOM 21 CA PRO A 3 0.338 15.606 6.027 1.00 0.00 C ATOM 22 C PRO A 3 -0.357 14.543 6.878 1.00 0.00 C ATOM 23 O PRO A 3 0.174 14.071 7.865 1.00 0.00 O ATOM 24 CB PRO A 3 0.781 14.945 4.712 1.00 0.00 C ATOM 25 CG PRO A 3 2.307 15.140 4.576 1.00 0.00 C ATOM 26 CD PRO A 3 2.807 15.893 5.816 1.00 0.00 C ATOM 0 HA PRO A 3 -0.370 16.426 5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.530 13.884 4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.262 15.394 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.807 14.175 4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.539 15.701 3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.555 15.313 6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.273 16.840 5.544 1.00 0.00 H new ATOM 34 N SER A 4 -1.538 14.194 6.447 1.00 0.00 N ATOM 35 CA SER A 4 -2.261 13.055 7.077 1.00 0.00 C ATOM 36 C SER A 4 -2.034 11.804 6.226 1.00 0.00 C ATOM 37 O SER A 4 -1.818 11.899 5.033 1.00 0.00 O ATOM 38 CB SER A 4 -3.757 13.384 7.100 1.00 0.00 C ATOM 39 OG SER A 4 -3.823 14.589 7.848 1.00 0.00 O ATOM 0 H SER A 4 -2.035 14.651 5.682 1.00 0.00 H new ATOM 0 HA SER A 4 -1.901 12.885 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.154 13.515 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.335 12.588 7.570 1.00 0.00 H new ATOM 0 HG SER A 4 -4.756 14.882 7.915 1.00 0.00 H new ATOM 45 N ALA A 5 -2.092 10.662 6.854 1.00 0.00 N ATOM 46 CA ALA A 5 -1.844 9.398 6.102 1.00 0.00 C ATOM 47 C ALA A 5 -2.839 9.290 4.941 1.00 0.00 C ATOM 48 O ALA A 5 -3.974 9.704 5.068 1.00 0.00 O ATOM 49 CB ALA A 5 -2.057 8.221 7.057 1.00 0.00 C ATOM 0 H ALA A 5 -2.298 10.548 7.846 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.828 9.389 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.880 7.285 6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.362 8.301 7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.080 8.238 7.432 1.00 0.00 H new ATOM 55 N PRO A 6 -2.398 8.739 3.840 1.00 0.00 N ATOM 56 CA PRO A 6 -3.267 8.601 2.648 1.00 0.00 C ATOM 57 C PRO A 6 -4.397 7.611 2.930 1.00 0.00 C ATOM 58 O PRO A 6 -4.345 6.856 3.880 1.00 0.00 O ATOM 59 CB PRO A 6 -2.343 8.032 1.559 1.00 0.00 C ATOM 60 CG PRO A 6 -1.029 7.588 2.251 1.00 0.00 C ATOM 61 CD PRO A 6 -1.029 8.189 3.670 1.00 0.00 C ATOM 0 HA PRO A 6 -3.726 9.547 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.816 7.188 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.140 8.784 0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.967 6.501 2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.163 7.934 1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.809 7.431 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.273 8.968 3.771 1.00 0.00 H new ATOM 69 N LYS A 7 -5.394 7.644 2.092 1.00 0.00 N ATOM 70 CA LYS A 7 -6.500 6.654 2.218 1.00 0.00 C ATOM 71 C LYS A 7 -6.285 5.588 1.146 1.00 0.00 C ATOM 72 O LYS A 7 -6.075 5.906 -0.008 1.00 0.00 O ATOM 73 CB LYS A 7 -7.831 7.374 1.981 1.00 0.00 C ATOM 74 CG LYS A 7 -8.980 6.373 2.154 1.00 0.00 C ATOM 75 CD LYS A 7 -10.312 7.078 1.872 1.00 0.00 C ATOM 76 CE LYS A 7 -10.446 7.315 0.363 1.00 0.00 C ATOM 77 NZ LYS A 7 -11.795 7.866 0.054 1.00 0.00 N ATOM 0 H LYS A 7 -5.492 8.311 1.327 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.515 6.195 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.942 8.200 2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.853 7.803 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.850 5.531 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.976 5.969 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.142 6.471 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.356 8.027 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.675 8.007 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.293 6.380 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.879 8.024 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.524 7.191 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.925 8.768 0.555 1.00 0.00 H new ATOM 91 N LEU A 8 -6.314 4.347 1.549 1.00 0.00 N ATOM 92 CA LEU A 8 -6.008 3.264 0.574 1.00 0.00 C ATOM 93 C LEU A 8 -7.302 2.586 0.119 1.00 0.00 C ATOM 94 O LEU A 8 -7.954 1.897 0.878 1.00 0.00 O ATOM 95 CB LEU A 8 -5.089 2.235 1.250 1.00 0.00 C ATOM 96 CG LEU A 8 -3.947 2.962 1.986 1.00 0.00 C ATOM 97 CD1 LEU A 8 -3.082 1.916 2.697 1.00 0.00 C ATOM 98 CD2 LEU A 8 -3.064 3.712 0.975 1.00 0.00 C ATOM 0 H LEU A 8 -6.533 4.040 2.497 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.512 3.686 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.661 1.630 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.679 1.554 0.504 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.369 3.670 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.268 2.414 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.692 1.364 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.669 1.225 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.259 4.223 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.639 3.002 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.667 4.444 0.438 1.00 0.00 H new ATOM 110 N GLU A 9 -7.634 2.807 -1.125 1.00 0.00 N ATOM 111 CA GLU A 9 -8.855 2.173 -1.697 1.00 0.00 C ATOM 112 C GLU A 9 -8.461 0.819 -2.290 1.00 0.00 C ATOM 113 O GLU A 9 -7.433 0.703 -2.927 1.00 0.00 O ATOM 114 CB GLU A 9 -9.394 3.084 -2.804 1.00 0.00 C ATOM 115 CG GLU A 9 -10.534 2.376 -3.549 1.00 0.00 C ATOM 116 CD GLU A 9 -10.842 3.155 -4.831 1.00 0.00 C ATOM 117 OE1 GLU A 9 -10.133 2.908 -5.793 1.00 0.00 O ATOM 118 OE2 GLU A 9 -11.754 3.962 -4.768 1.00 0.00 O ATOM 0 H GLU A 9 -7.111 3.400 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.618 2.031 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.753 4.020 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.595 3.338 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.250 1.351 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.421 2.321 -2.918 1.00 0.00 H new ATOM 125 N GLY A 10 -9.301 -0.161 -2.090 1.00 0.00 N ATOM 126 CA GLY A 10 -8.932 -1.541 -2.513 1.00 0.00 C ATOM 127 C GLY A 10 -9.598 -1.934 -3.832 1.00 0.00 C ATOM 128 O GLY A 10 -10.807 -1.981 -3.934 1.00 0.00 O ATOM 0 H GLY A 10 -10.219 -0.067 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.849 -1.610 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.222 -2.248 -1.736 1.00 0.00 H new ATOM 132 N GLN A 11 -8.776 -2.201 -4.811 1.00 0.00 N ATOM 133 CA GLN A 11 -9.290 -2.782 -6.081 1.00 0.00 C ATOM 134 C GLN A 11 -8.740 -4.207 -6.189 1.00 0.00 C ATOM 135 O GLN A 11 -7.562 -4.403 -6.416 1.00 0.00 O ATOM 136 CB GLN A 11 -8.769 -1.937 -7.250 1.00 0.00 C ATOM 137 CG GLN A 11 -9.499 -0.588 -7.262 1.00 0.00 C ATOM 138 CD GLN A 11 -8.910 0.286 -8.373 1.00 0.00 C ATOM 139 OE1 GLN A 11 -8.896 1.584 -8.223 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 -8.461 -0.199 -9.393 1.00 0.00 N flip ATOM 0 H GLN A 11 -7.769 -2.041 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.380 -2.793 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.695 -1.782 -7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.931 -2.460 -8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.566 -0.738 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.392 -0.093 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.466 -1.211 -9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.079 0.406 -10.120 1.00 0.00 H new ATOM 149 N MET A 12 -9.594 -5.167 -5.958 1.00 0.00 N ATOM 150 CA MET A 12 -9.133 -6.583 -5.993 1.00 0.00 C ATOM 151 C MET A 12 -9.586 -7.249 -7.293 1.00 0.00 C ATOM 152 O MET A 12 -10.750 -7.217 -7.639 1.00 0.00 O ATOM 153 CB MET A 12 -9.753 -7.327 -4.805 1.00 0.00 C ATOM 154 CG MET A 12 -9.172 -6.772 -3.502 1.00 0.00 C ATOM 155 SD MET A 12 -9.190 -7.873 -2.065 1.00 0.00 S ATOM 156 CE MET A 12 -8.394 -9.293 -2.858 1.00 0.00 C ATOM 0 H MET A 12 -10.583 -5.033 -5.748 1.00 0.00 H new ATOM 0 HA MET A 12 -8.045 -6.615 -5.938 1.00 0.00 H new ATOM 0 HB2 MET A 12 -10.837 -7.209 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 12 -9.548 -8.395 -4.883 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.140 -6.475 -3.690 1.00 0.00 H new ATOM 0 HG3 MET A 12 -9.722 -5.867 -3.243 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.643 -9.711 -2.187 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.143 -10.052 -3.081 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.916 -8.972 -3.783 1.00 0.00 H new ATOM 166 N GLY A 13 -8.647 -7.840 -7.980 1.00 0.00 N ATOM 167 CA GLY A 13 -8.980 -8.501 -9.273 1.00 0.00 C ATOM 168 C GLY A 13 -9.600 -9.879 -9.036 1.00 0.00 C ATOM 169 O GLY A 13 -8.961 -10.781 -8.529 1.00 0.00 O ATOM 0 H GLY A 13 -7.667 -7.894 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.674 -7.878 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.079 -8.602 -9.877 1.00 0.00 H new ATOM 173 N GLU A 14 -10.823 -10.024 -9.474 1.00 0.00 N ATOM 174 CA GLU A 14 -11.539 -11.321 -9.287 1.00 0.00 C ATOM 175 C GLU A 14 -10.851 -12.465 -10.042 1.00 0.00 C ATOM 176 O GLU A 14 -11.409 -13.534 -10.193 1.00 0.00 O ATOM 177 CB GLU A 14 -12.967 -11.155 -9.818 1.00 0.00 C ATOM 178 CG GLU A 14 -13.690 -10.098 -8.974 1.00 0.00 C ATOM 179 CD GLU A 14 -15.113 -9.917 -9.510 1.00 0.00 C ATOM 180 OE1 GLU A 14 -15.888 -10.835 -9.309 1.00 0.00 O ATOM 181 OE2 GLU A 14 -15.341 -8.869 -10.094 1.00 0.00 O ATOM 0 H GLU A 14 -11.358 -9.300 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.535 -11.575 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.947 -10.853 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.500 -12.105 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.718 -10.406 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.150 -9.152 -9.013 1.00 0.00 H new ATOM 188 N ASP A 15 -9.650 -12.215 -10.491 1.00 0.00 N ATOM 189 CA ASP A 15 -8.864 -13.293 -11.153 1.00 0.00 C ATOM 190 C ASP A 15 -8.234 -14.205 -10.097 1.00 0.00 C ATOM 191 O ASP A 15 -7.940 -15.351 -10.372 1.00 0.00 O ATOM 192 CB ASP A 15 -7.741 -12.645 -11.969 1.00 0.00 C ATOM 193 CG ASP A 15 -8.349 -11.642 -12.956 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.675 -10.561 -12.495 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.457 -12.021 -14.112 1.00 0.00 O ATOM 0 H ASP A 15 -9.181 -11.312 -10.427 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.521 -13.880 -11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.038 -12.140 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.179 -13.408 -12.507 1.00 0.00 H new ATOM 200 N GLY A 16 -8.043 -13.682 -8.915 1.00 0.00 N ATOM 201 CA GLY A 16 -7.464 -14.541 -7.842 1.00 0.00 C ATOM 202 C GLY A 16 -6.775 -13.734 -6.741 1.00 0.00 C ATOM 203 O GLY A 16 -7.238 -13.700 -5.618 1.00 0.00 O ATOM 0 H GLY A 16 -8.257 -12.721 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.256 -15.146 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.745 -15.231 -8.284 1.00 0.00 H new ATOM 207 N ASN A 17 -5.660 -13.145 -7.077 1.00 0.00 N ATOM 208 CA ASN A 17 -4.862 -12.440 -6.033 1.00 0.00 C ATOM 209 C ASN A 17 -4.207 -11.168 -6.582 1.00 0.00 C ATOM 210 O ASN A 17 -3.269 -10.655 -6.005 1.00 0.00 O ATOM 211 CB ASN A 17 -3.785 -13.411 -5.538 1.00 0.00 C ATOM 212 CG ASN A 17 -2.899 -13.841 -6.710 1.00 0.00 C ATOM 213 OD1 ASN A 17 -2.350 -13.026 -7.427 1.00 0.00 O ATOM 214 ND2 ASN A 17 -2.726 -15.115 -6.936 1.00 0.00 N ATOM 0 H ASN A 17 -5.270 -13.121 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.520 -12.134 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.179 -12.935 -4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.251 -14.285 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.134 -15.420 -7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.182 -15.805 -6.340 1.00 0.00 H new ATOM 221 N SER A 18 -4.717 -10.686 -7.683 1.00 0.00 N ATOM 222 CA SER A 18 -4.180 -9.412 -8.241 1.00 0.00 C ATOM 223 C SER A 18 -4.707 -8.243 -7.408 1.00 0.00 C ATOM 224 O SER A 18 -5.895 -7.992 -7.375 1.00 0.00 O ATOM 225 CB SER A 18 -4.665 -9.272 -9.687 1.00 0.00 C ATOM 226 OG SER A 18 -4.074 -10.382 -10.348 1.00 0.00 O ATOM 0 H SER A 18 -5.474 -11.114 -8.216 1.00 0.00 H new ATOM 0 HA SER A 18 -3.090 -9.413 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.753 -9.301 -9.749 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.346 -8.327 -10.127 1.00 0.00 H new ATOM 0 HG SER A 18 -4.334 -10.376 -11.293 1.00 0.00 H new ATOM 232 N ILE A 19 -3.813 -7.561 -6.746 1.00 0.00 N ATOM 233 CA ILE A 19 -4.238 -6.502 -5.791 1.00 0.00 C ATOM 234 C ILE A 19 -3.732 -5.131 -6.243 1.00 0.00 C ATOM 235 O ILE A 19 -2.543 -4.946 -6.411 1.00 0.00 O ATOM 236 CB ILE A 19 -3.551 -6.833 -4.460 1.00 0.00 C ATOM 237 CG1 ILE A 19 -4.217 -8.041 -3.799 1.00 0.00 C ATOM 238 CG2 ILE A 19 -3.573 -5.618 -3.520 1.00 0.00 C ATOM 239 CD1 ILE A 19 -5.617 -7.653 -3.313 1.00 0.00 C ATOM 0 H ILE A 19 -2.805 -7.693 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.325 -6.470 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.510 -7.084 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.283 -8.866 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.613 -8.389 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.081 -5.875 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.049 -4.786 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.605 -5.331 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.090 -8.515 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.539 -6.841 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.219 -7.327 -4.161 1.00 0.00 H new ATOM 251 N LYS A 20 -4.643 -4.208 -6.403 1.00 0.00 N ATOM 252 CA LYS A 20 -4.234 -2.801 -6.666 1.00 0.00 C ATOM 253 C LYS A 20 -4.655 -1.921 -5.485 1.00 0.00 C ATOM 254 O LYS A 20 -5.807 -1.887 -5.101 1.00 0.00 O ATOM 255 CB LYS A 20 -4.929 -2.324 -7.946 1.00 0.00 C ATOM 256 CG LYS A 20 -4.322 -3.070 -9.138 1.00 0.00 C ATOM 257 CD LYS A 20 -5.013 -2.598 -10.421 1.00 0.00 C ATOM 258 CE LYS A 20 -4.426 -3.369 -11.606 1.00 0.00 C ATOM 259 NZ LYS A 20 -5.094 -2.943 -12.869 1.00 0.00 N ATOM 0 H LYS A 20 -5.649 -4.369 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.153 -2.737 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.001 -2.513 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.801 -1.248 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.250 -2.881 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.450 -4.145 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.088 -2.767 -10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.866 -1.527 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.353 -3.189 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.560 -4.440 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.691 -3.470 -13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.114 -3.137 -12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.944 -1.924 -13.015 1.00 0.00 H new ATOM 273 N VAL A 21 -3.689 -1.238 -4.936 1.00 0.00 N ATOM 274 CA VAL A 21 -3.935 -0.355 -3.762 1.00 0.00 C ATOM 275 C VAL A 21 -3.932 1.091 -4.256 1.00 0.00 C ATOM 276 O VAL A 21 -2.890 1.610 -4.606 1.00 0.00 O ATOM 277 CB VAL A 21 -2.749 -0.536 -2.810 1.00 0.00 C ATOM 278 CG1 VAL A 21 -2.947 0.308 -1.549 1.00 0.00 C ATOM 279 CG2 VAL A 21 -2.588 -2.010 -2.423 1.00 0.00 C ATOM 0 H VAL A 21 -2.721 -1.255 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.879 -0.591 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.846 -0.206 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.097 0.170 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.025 1.360 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.860 -0.004 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.740 -2.118 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.495 -2.357 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.414 -2.605 -3.320 1.00 0.00 H new ATOM 289 N ASN A 22 -5.083 1.706 -4.265 1.00 0.00 N ATOM 290 CA ASN A 22 -5.179 3.085 -4.826 1.00 0.00 C ATOM 291 C ASN A 22 -4.901 4.107 -3.723 1.00 0.00 C ATOM 292 O ASN A 22 -5.540 4.078 -2.692 1.00 0.00 O ATOM 293 CB ASN A 22 -6.613 3.293 -5.331 1.00 0.00 C ATOM 294 CG ASN A 22 -6.603 3.858 -6.755 1.00 0.00 C ATOM 295 OD1 ASN A 22 -5.602 4.331 -7.256 1.00 0.00 O ATOM 296 ND2 ASN A 22 -7.718 3.833 -7.431 1.00 0.00 N ATOM 0 H ASN A 22 -5.957 1.317 -3.911 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.457 3.211 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.152 2.346 -5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.144 3.975 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.749 4.210 -8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.559 3.436 -7.012 1.00 0.00 H new ATOM 303 N LEU A 23 -4.001 5.015 -3.990 1.00 0.00 N ATOM 304 CA LEU A 23 -3.582 5.971 -2.928 1.00 0.00 C ATOM 305 C LEU A 23 -4.340 7.288 -3.101 1.00 0.00 C ATOM 306 O LEU A 23 -4.021 8.086 -3.958 1.00 0.00 O ATOM 307 CB LEU A 23 -2.076 6.234 -3.073 1.00 0.00 C ATOM 308 CG LEU A 23 -1.311 4.902 -3.141 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.186 5.208 -3.259 1.00 0.00 C ATOM 310 CD2 LEU A 23 -1.551 4.108 -1.850 1.00 0.00 C ATOM 0 H LEU A 23 -3.541 5.135 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.800 5.554 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.886 6.818 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.719 6.825 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.653 4.321 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.746 4.274 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.369 5.789 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.510 5.779 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.009 3.164 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.198 4.686 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.617 3.909 -1.738 1.00 0.00 H new ATOM 322 N ILE A 24 -5.338 7.475 -2.279 1.00 0.00 N ATOM 323 CA ILE A 24 -6.140 8.728 -2.362 1.00 0.00 C ATOM 324 C ILE A 24 -5.577 9.734 -1.358 1.00 0.00 C ATOM 325 O ILE A 24 -5.364 9.401 -0.210 1.00 0.00 O ATOM 326 CB ILE A 24 -7.592 8.395 -1.988 1.00 0.00 C ATOM 327 CG1 ILE A 24 -8.065 7.141 -2.749 1.00 0.00 C ATOM 328 CG2 ILE A 24 -8.491 9.586 -2.347 1.00 0.00 C ATOM 329 CD1 ILE A 24 -7.867 7.338 -4.256 1.00 0.00 C ATOM 0 H ILE A 24 -5.631 6.817 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.099 9.148 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.650 8.198 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.506 6.268 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.116 6.950 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.523 9.355 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.164 10.468 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.425 9.782 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.204 6.447 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.446 8.200 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.811 7.507 -4.465 1.00 0.00 H new ATOM 341 N LYS A 25 -5.379 10.942 -1.812 1.00 0.00 N ATOM 342 CA LYS A 25 -4.734 11.966 -0.944 1.00 0.00 C ATOM 343 C LYS A 25 -5.786 12.977 -0.489 1.00 0.00 C ATOM 344 O LYS A 25 -6.731 13.255 -1.201 1.00 0.00 O ATOM 345 CB LYS A 25 -3.654 12.679 -1.766 1.00 0.00 C ATOM 346 CG LYS A 25 -2.668 11.626 -2.289 1.00 0.00 C ATOM 347 CD LYS A 25 -1.699 12.286 -3.275 1.00 0.00 C ATOM 348 CE LYS A 25 -0.664 13.099 -2.493 1.00 0.00 C ATOM 349 NZ LYS A 25 0.363 13.638 -3.428 1.00 0.00 N ATOM 0 H LYS A 25 -5.636 11.263 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.289 11.497 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.106 13.221 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.133 13.414 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.116 11.184 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.209 10.816 -2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.202 11.527 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.244 12.933 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.154 13.917 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.189 12.472 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.267 13.149 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.054 13.485 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.486 14.657 -3.259 1.00 0.00 H new ATOM 363 N GLN A 26 -5.596 13.502 0.691 1.00 0.00 N ATOM 364 CA GLN A 26 -6.643 14.386 1.276 1.00 0.00 C ATOM 365 C GLN A 26 -6.058 15.702 1.800 1.00 0.00 C ATOM 366 O GLN A 26 -6.387 16.761 1.301 1.00 0.00 O ATOM 367 CB GLN A 26 -7.349 13.622 2.411 1.00 0.00 C ATOM 368 CG GLN A 26 -6.366 12.666 3.111 1.00 0.00 C ATOM 369 CD GLN A 26 -6.427 11.275 2.462 1.00 0.00 C ATOM 370 OE1 GLN A 26 -5.938 10.308 3.010 1.00 0.00 O ATOM 371 NE2 GLN A 26 -7.006 11.125 1.302 1.00 0.00 N ATOM 0 H GLN A 26 -4.769 13.359 1.270 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.356 14.649 0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.756 14.328 3.135 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.190 13.058 2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.353 13.062 3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.611 12.592 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.421 11.929 0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.044 10.204 0.866 1.00 0.00 H new ATOM 380 N ASP A 27 -5.211 15.616 2.791 1.00 0.00 N ATOM 381 CA ASP A 27 -4.636 16.863 3.377 1.00 0.00 C ATOM 382 C ASP A 27 -3.119 16.747 3.543 1.00 0.00 C ATOM 383 O ASP A 27 -2.639 15.919 4.291 1.00 0.00 O ATOM 384 CB ASP A 27 -5.271 17.087 4.754 1.00 0.00 C ATOM 385 CG ASP A 27 -6.758 17.406 4.576 1.00 0.00 C ATOM 386 OD1 ASP A 27 -7.502 16.451 4.423 1.00 0.00 O ATOM 387 OD2 ASP A 27 -7.062 18.587 4.594 1.00 0.00 O ATOM 0 H ASP A 27 -4.894 14.745 3.217 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.845 17.697 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.149 16.198 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.770 17.906 5.270 1.00 0.00 H new ATOM 392 N ASP A 28 -2.407 17.583 2.835 1.00 0.00 N ATOM 393 CA ASP A 28 -0.923 17.596 2.958 1.00 0.00 C ATOM 394 C ASP A 28 -0.421 19.035 3.099 1.00 0.00 C ATOM 395 O ASP A 28 0.537 19.296 3.800 1.00 0.00 O ATOM 396 CB ASP A 28 -0.326 16.974 1.690 1.00 0.00 C ATOM 397 CG ASP A 28 -1.191 15.789 1.246 1.00 0.00 C ATOM 398 OD1 ASP A 28 -1.006 14.732 1.829 1.00 0.00 O ATOM 399 OD2 ASP A 28 -1.997 16.011 0.359 1.00 0.00 O ATOM 0 H ASP A 28 -2.792 18.259 2.175 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.622 17.029 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.276 17.719 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.694 16.642 1.881 1.00 0.00 H new ATOM 404 N GLY A 29 -1.085 19.932 2.419 1.00 0.00 N ATOM 405 CA GLY A 29 -0.685 21.368 2.479 1.00 0.00 C ATOM 406 C GLY A 29 -0.186 21.829 1.108 1.00 0.00 C ATOM 407 O GLY A 29 0.903 22.354 0.981 1.00 0.00 O ATOM 0 H GLY A 29 -1.889 19.731 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.533 21.978 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.098 21.505 3.225 1.00 0.00 H new ATOM 411 N GLY A 30 -1.003 21.615 0.112 1.00 0.00 N ATOM 412 CA GLY A 30 -0.582 21.938 -1.281 1.00 0.00 C ATOM 413 C GLY A 30 0.063 20.702 -1.914 1.00 0.00 C ATOM 414 O GLY A 30 0.800 20.799 -2.875 1.00 0.00 O ATOM 0 H GLY A 30 -1.943 21.231 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.443 22.255 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.124 22.769 -1.277 1.00 0.00 H new ATOM 418 N SER A 31 -0.251 19.568 -1.346 1.00 0.00 N ATOM 419 CA SER A 31 0.355 18.285 -1.804 1.00 0.00 C ATOM 420 C SER A 31 1.869 18.394 -2.048 1.00 0.00 C ATOM 421 O SER A 31 2.331 18.192 -3.153 1.00 0.00 O ATOM 422 CB SER A 31 -0.346 17.870 -3.105 1.00 0.00 C ATOM 423 OG SER A 31 0.190 16.586 -3.383 1.00 0.00 O ATOM 0 H SER A 31 -0.911 19.476 -0.574 1.00 0.00 H new ATOM 0 HA SER A 31 0.218 17.542 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.428 17.834 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.140 18.573 -3.912 1.00 0.00 H new ATOM 0 HG SER A 31 1.109 16.679 -3.711 1.00 0.00 H new ATOM 429 N PRO A 32 2.608 18.715 -1.016 1.00 0.00 N ATOM 430 CA PRO A 32 4.089 18.689 -1.085 1.00 0.00 C ATOM 431 C PRO A 32 4.581 17.282 -0.727 1.00 0.00 C ATOM 432 O PRO A 32 5.531 17.121 0.012 1.00 0.00 O ATOM 433 CB PRO A 32 4.531 19.691 -0.002 1.00 0.00 C ATOM 434 CG PRO A 32 3.287 20.015 0.866 1.00 0.00 C ATOM 435 CD PRO A 32 2.084 19.276 0.256 1.00 0.00 C ATOM 0 HA PRO A 32 4.481 18.939 -2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.327 19.268 0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.928 20.598 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.447 19.699 1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.105 21.089 0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.722 18.490 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.249 19.953 0.078 1.00 0.00 H new ATOM 443 N ILE A 33 3.919 16.301 -1.281 1.00 0.00 N ATOM 444 CA ILE A 33 4.217 14.891 -0.894 1.00 0.00 C ATOM 445 C ILE A 33 5.393 14.329 -1.695 1.00 0.00 C ATOM 446 O ILE A 33 5.624 14.687 -2.833 1.00 0.00 O ATOM 447 CB ILE A 33 2.958 14.040 -1.151 1.00 0.00 C ATOM 448 CG1 ILE A 33 1.839 14.485 -0.194 1.00 0.00 C ATOM 449 CG2 ILE A 33 3.274 12.550 -0.924 1.00 0.00 C ATOM 450 CD1 ILE A 33 2.177 14.072 1.245 1.00 0.00 C ATOM 0 H ILE A 33 3.187 16.414 -1.982 1.00 0.00 H new ATOM 0 HA ILE A 33 4.492 14.863 0.160 1.00 0.00 H new ATOM 0 HB ILE A 33 2.634 14.179 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.712 15.566 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.892 14.037 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.379 11.956 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.064 12.237 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.604 12.401 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.377 14.393 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.281 12.988 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.113 14.541 1.548 1.00 0.00 H new ATOM 462 N ARG A 34 6.100 13.448 -1.043 1.00 0.00 N ATOM 463 CA ARG A 34 7.293 12.801 -1.651 1.00 0.00 C ATOM 464 C ARG A 34 7.197 11.285 -1.457 1.00 0.00 C ATOM 465 O ARG A 34 7.054 10.812 -0.346 1.00 0.00 O ATOM 466 CB ARG A 34 8.544 13.320 -0.930 1.00 0.00 C ATOM 467 CG ARG A 34 8.592 14.846 -1.054 1.00 0.00 C ATOM 468 CD ARG A 34 9.766 15.373 -0.225 1.00 0.00 C ATOM 469 NE ARG A 34 9.758 16.863 -0.309 1.00 0.00 N ATOM 470 CZ ARG A 34 10.807 17.485 -0.773 1.00 0.00 C ATOM 471 NH1 ARG A 34 11.073 17.408 -2.049 1.00 0.00 N ATOM 472 NH2 ARG A 34 11.554 18.166 0.053 1.00 0.00 N ATOM 0 H ARG A 34 5.894 13.144 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 34 7.345 13.030 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.522 13.028 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.440 12.878 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.707 15.136 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.657 15.282 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.676 15.049 0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.708 14.975 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 34 8.939 17.391 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.465 16.868 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.889 17.888 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.314 18.206 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.378 18.658 -0.292 1.00 0.00 H new ATOM 486 N HIS A 35 7.306 10.602 -2.566 1.00 0.00 N ATOM 487 CA HIS A 35 7.197 9.110 -2.640 1.00 0.00 C ATOM 488 C HIS A 35 6.261 8.422 -1.636 1.00 0.00 C ATOM 489 O HIS A 35 5.756 9.009 -0.700 1.00 0.00 O ATOM 490 CB HIS A 35 8.604 8.518 -2.488 1.00 0.00 C ATOM 491 CG HIS A 35 9.231 8.974 -1.169 1.00 0.00 C ATOM 492 ND1 HIS A 35 10.223 9.801 -1.066 1.00 0.00 N ATOM 493 CD2 HIS A 35 8.948 8.615 0.137 1.00 0.00 C ATOM 494 CE1 HIS A 35 10.538 9.944 0.184 1.00 0.00 C ATOM 495 NE2 HIS A 35 9.770 9.225 0.963 1.00 0.00 N ATOM 0 H HIS A 35 7.475 11.041 -3.471 1.00 0.00 H new ATOM 0 HA HIS A 35 6.738 8.914 -3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.553 7.430 -2.518 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.230 8.831 -3.324 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.685 10.267 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.166 7.933 0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.336 10.579 0.539 1.00 0.00 H new ATOM 503 N TYR A 36 6.048 7.156 -1.880 1.00 0.00 N ATOM 504 CA TYR A 36 5.300 6.321 -0.899 1.00 0.00 C ATOM 505 C TYR A 36 6.158 5.129 -0.494 1.00 0.00 C ATOM 506 O TYR A 36 6.773 4.497 -1.327 1.00 0.00 O ATOM 507 CB TYR A 36 4.036 5.770 -1.555 1.00 0.00 C ATOM 508 CG TYR A 36 3.061 6.909 -1.826 1.00 0.00 C ATOM 509 CD1 TYR A 36 2.539 7.661 -0.794 1.00 0.00 C ATOM 510 CD2 TYR A 36 2.666 7.164 -3.119 1.00 0.00 C ATOM 511 CE1 TYR A 36 1.626 8.662 -1.055 1.00 0.00 C ATOM 512 CE2 TYR A 36 1.749 8.160 -3.382 1.00 0.00 C ATOM 513 CZ TYR A 36 1.224 8.917 -2.352 1.00 0.00 C ATOM 514 OH TYR A 36 0.309 9.915 -2.613 1.00 0.00 O ATOM 0 H TYR A 36 6.361 6.665 -2.718 1.00 0.00 H new ATOM 0 HA TYR A 36 5.050 6.934 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.289 5.265 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.572 5.027 -0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.846 7.465 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.076 6.582 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.224 9.249 -0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.439 8.349 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.132 10.180 -1.779 1.00 0.00 H new ATOM 524 N LEU A 37 6.119 4.831 0.773 1.00 0.00 N ATOM 525 CA LEU A 37 6.853 3.649 1.297 1.00 0.00 C ATOM 526 C LEU A 37 5.803 2.551 1.453 1.00 0.00 C ATOM 527 O LEU A 37 5.015 2.598 2.375 1.00 0.00 O ATOM 528 CB LEU A 37 7.431 3.991 2.686 1.00 0.00 C ATOM 529 CG LEU A 37 7.984 5.426 2.696 1.00 0.00 C ATOM 530 CD1 LEU A 37 8.305 5.830 4.143 1.00 0.00 C ATOM 531 CD2 LEU A 37 9.278 5.469 1.874 1.00 0.00 C ATOM 0 H LEU A 37 5.604 5.362 1.475 1.00 0.00 H new ATOM 0 HA LEU A 37 7.669 3.348 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.656 3.888 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.223 3.287 2.941 1.00 0.00 H new ATOM 0 HG LEU A 37 7.247 6.108 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.698 6.847 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.397 5.783 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.049 5.148 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.677 6.483 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.010 4.790 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.068 5.164 0.849 1.00 0.00 H new ATOM 543 N VAL A 38 5.753 1.645 0.514 1.00 0.00 N ATOM 544 CA VAL A 38 4.706 0.589 0.607 1.00 0.00 C ATOM 545 C VAL A 38 5.361 -0.745 0.949 1.00 0.00 C ATOM 546 O VAL A 38 6.232 -1.208 0.242 1.00 0.00 O ATOM 547 CB VAL A 38 3.985 0.466 -0.736 1.00 0.00 C ATOM 548 CG1 VAL A 38 2.866 -0.576 -0.597 1.00 0.00 C ATOM 549 CG2 VAL A 38 3.376 1.821 -1.111 1.00 0.00 C ATOM 0 H VAL A 38 6.374 1.590 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 38 3.990 0.856 1.384 1.00 0.00 H new ATOM 0 HB VAL A 38 4.687 0.159 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.342 -0.676 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.297 -1.538 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.164 -0.256 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.861 1.736 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.665 2.126 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.167 2.566 -1.189 1.00 0.00 H new ATOM 559 N LYS A 39 4.919 -1.300 2.043 1.00 0.00 N ATOM 560 CA LYS A 39 5.446 -2.619 2.497 1.00 0.00 C ATOM 561 C LYS A 39 4.251 -3.492 2.878 1.00 0.00 C ATOM 562 O LYS A 39 3.290 -3.008 3.440 1.00 0.00 O ATOM 563 CB LYS A 39 6.324 -2.372 3.730 1.00 0.00 C ATOM 564 CG LYS A 39 6.832 -3.712 4.275 1.00 0.00 C ATOM 565 CD LYS A 39 7.523 -3.459 5.619 1.00 0.00 C ATOM 566 CE LYS A 39 8.872 -2.776 5.370 1.00 0.00 C ATOM 567 NZ LYS A 39 9.613 -2.635 6.654 1.00 0.00 N ATOM 0 H LYS A 39 4.207 -0.892 2.649 1.00 0.00 H new ATOM 0 HA LYS A 39 6.030 -3.111 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.166 -1.732 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.753 -1.849 4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.003 -4.409 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.528 -4.168 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.895 -2.832 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.670 -4.400 6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.460 -3.361 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.716 -1.795 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.527 -2.171 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.054 -2.059 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.776 -3.576 7.066 1.00 0.00 H new ATOM 581 N TYR A 40 4.307 -4.753 2.549 1.00 0.00 N ATOM 582 CA TYR A 40 3.148 -5.617 2.906 1.00 0.00 C ATOM 583 C TYR A 40 3.572 -7.040 3.270 1.00 0.00 C ATOM 584 O TYR A 40 4.626 -7.510 2.890 1.00 0.00 O ATOM 585 CB TYR A 40 2.138 -5.603 1.746 1.00 0.00 C ATOM 586 CG TYR A 40 2.553 -6.545 0.610 1.00 0.00 C ATOM 587 CD1 TYR A 40 3.812 -6.480 0.046 1.00 0.00 C ATOM 588 CD2 TYR A 40 1.631 -7.430 0.087 1.00 0.00 C ATOM 589 CE1 TYR A 40 4.138 -7.288 -1.025 1.00 0.00 C ATOM 590 CE2 TYR A 40 1.957 -8.236 -0.983 1.00 0.00 C ATOM 591 CZ TYR A 40 3.215 -8.168 -1.548 1.00 0.00 C ATOM 592 OH TYR A 40 3.544 -8.960 -2.630 1.00 0.00 O ATOM 0 H TYR A 40 5.079 -5.211 2.064 1.00 0.00 H new ATOM 0 HA TYR A 40 2.675 -5.213 3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.156 -5.894 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.045 -4.588 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.545 -5.794 0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.644 -7.491 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.126 -7.230 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.225 -8.923 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 40 4.516 -8.956 -2.755 1.00 0.00 H new ATOM 602 N ARG A 41 2.728 -7.663 4.046 1.00 0.00 N ATOM 603 CA ARG A 41 3.012 -9.044 4.527 1.00 0.00 C ATOM 604 C ARG A 41 1.796 -9.944 4.311 1.00 0.00 C ATOM 605 O ARG A 41 0.691 -9.465 4.160 1.00 0.00 O ATOM 606 CB ARG A 41 3.328 -8.991 6.028 1.00 0.00 C ATOM 607 CG ARG A 41 2.100 -8.526 6.820 1.00 0.00 C ATOM 608 CD ARG A 41 2.427 -8.644 8.314 1.00 0.00 C ATOM 609 NE ARG A 41 1.156 -8.851 9.065 1.00 0.00 N ATOM 610 CZ ARG A 41 1.034 -9.888 9.850 1.00 0.00 C ATOM 611 NH1 ARG A 41 2.014 -10.193 10.655 1.00 0.00 N ATOM 612 NH2 ARG A 41 -0.068 -10.584 9.802 1.00 0.00 N ATOM 0 H ARG A 41 1.845 -7.270 4.370 1.00 0.00 H new ATOM 0 HA ARG A 41 3.858 -9.448 3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.640 -9.976 6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.162 -8.312 6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.850 -7.496 6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.232 -9.136 6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.109 -9.477 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.930 -7.742 8.663 1.00 0.00 H new ATOM 0 HE ARG A 41 0.387 -8.188 8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.861 -9.625 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.933 -11.000 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.814 -10.315 9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.184 -11.397 10.406 1.00 0.00 H new ATOM 626 N ALA A 42 2.028 -11.228 4.368 1.00 0.00 N ATOM 627 CA ALA A 42 0.916 -12.195 4.161 1.00 0.00 C ATOM 628 C ALA A 42 0.807 -13.113 5.377 1.00 0.00 C ATOM 629 O ALA A 42 1.648 -13.096 6.254 1.00 0.00 O ATOM 630 CB ALA A 42 1.254 -13.049 2.937 1.00 0.00 C ATOM 0 H ALA A 42 2.940 -11.647 4.549 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.024 -11.661 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.453 -13.768 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.361 -12.406 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.188 -13.582 3.112 1.00 0.00 H new ATOM 636 N LEU A 43 -0.261 -13.861 5.410 1.00 0.00 N ATOM 637 CA LEU A 43 -0.393 -14.918 6.453 1.00 0.00 C ATOM 638 C LEU A 43 0.519 -16.111 6.136 1.00 0.00 C ATOM 639 O LEU A 43 0.127 -17.255 6.255 1.00 0.00 O ATOM 640 CB LEU A 43 -1.856 -15.377 6.475 1.00 0.00 C ATOM 641 CG LEU A 43 -2.185 -15.925 7.868 1.00 0.00 C ATOM 642 CD1 LEU A 43 -2.386 -14.748 8.829 1.00 0.00 C ATOM 643 CD2 LEU A 43 -3.485 -16.731 7.785 1.00 0.00 C ATOM 0 H LEU A 43 -1.046 -13.787 4.763 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.098 -14.518 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.516 -14.544 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.021 -16.145 5.719 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.374 -16.560 8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.621 -15.127 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.473 -14.154 8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.207 -14.125 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.731 -17.127 8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.293 -16.084 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.358 -17.556 7.084 1.00 0.00 H new ATOM 655 N ALA A 44 1.723 -15.800 5.737 1.00 0.00 N ATOM 656 CA ALA A 44 2.726 -16.865 5.454 1.00 0.00 C ATOM 657 C ALA A 44 4.130 -16.324 5.743 1.00 0.00 C ATOM 658 O ALA A 44 4.863 -16.877 6.539 1.00 0.00 O ATOM 659 CB ALA A 44 2.620 -17.251 3.975 1.00 0.00 C ATOM 0 H ALA A 44 2.056 -14.847 5.594 1.00 0.00 H new ATOM 0 HA ALA A 44 2.540 -17.737 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.348 -18.030 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.616 -17.621 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.821 -16.377 3.356 1.00 0.00 H new ATOM 665 N SER A 45 4.464 -15.252 5.074 1.00 0.00 N ATOM 666 CA SER A 45 5.776 -14.585 5.320 1.00 0.00 C ATOM 667 C SER A 45 5.545 -13.093 5.580 1.00 0.00 C ATOM 668 O SER A 45 4.554 -12.537 5.152 1.00 0.00 O ATOM 669 CB SER A 45 6.645 -14.749 4.069 1.00 0.00 C ATOM 670 OG SER A 45 6.797 -16.156 3.948 1.00 0.00 O ATOM 0 H SER A 45 3.881 -14.808 4.364 1.00 0.00 H new ATOM 0 HA SER A 45 6.268 -15.032 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.165 -14.321 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.608 -14.250 4.182 1.00 0.00 H new ATOM 0 HG SER A 45 7.346 -16.359 3.162 1.00 0.00 H new ATOM 676 N GLU A 46 6.469 -12.468 6.260 1.00 0.00 N ATOM 677 CA GLU A 46 6.258 -11.034 6.607 1.00 0.00 C ATOM 678 C GLU A 46 7.104 -10.099 5.741 1.00 0.00 C ATOM 679 O GLU A 46 8.088 -10.503 5.155 1.00 0.00 O ATOM 680 CB GLU A 46 6.599 -10.815 8.085 1.00 0.00 C ATOM 681 CG GLU A 46 8.111 -10.964 8.292 1.00 0.00 C ATOM 682 CD GLU A 46 8.431 -10.760 9.775 1.00 0.00 C ATOM 683 OE1 GLU A 46 8.135 -11.677 10.525 1.00 0.00 O ATOM 684 OE2 GLU A 46 8.946 -9.694 10.076 1.00 0.00 O ATOM 0 H GLU A 46 7.344 -12.879 6.585 1.00 0.00 H new ATOM 0 HA GLU A 46 5.211 -10.797 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.275 -9.823 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.064 -11.537 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.440 -11.951 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.648 -10.234 7.687 1.00 0.00 H new ATOM 691 N TRP A 47 6.679 -8.864 5.717 1.00 0.00 N ATOM 692 CA TRP A 47 7.384 -7.797 4.946 1.00 0.00 C ATOM 693 C TRP A 47 8.141 -8.319 3.721 1.00 0.00 C ATOM 694 O TRP A 47 9.308 -8.648 3.783 1.00 0.00 O ATOM 695 CB TRP A 47 8.354 -7.077 5.890 1.00 0.00 C ATOM 696 CG TRP A 47 7.700 -6.849 7.260 1.00 0.00 C ATOM 697 CD1 TRP A 47 8.342 -7.036 8.450 1.00 0.00 C ATOM 698 CD2 TRP A 47 6.430 -6.419 7.505 1.00 0.00 C ATOM 699 NE1 TRP A 47 7.426 -6.713 9.335 1.00 0.00 N ATOM 700 CE2 TRP A 47 6.251 -6.330 8.873 1.00 0.00 C ATOM 701 CE3 TRP A 47 5.376 -6.094 6.667 1.00 0.00 C ATOM 702 CZ2 TRP A 47 5.041 -5.921 9.400 1.00 0.00 C ATOM 703 CZ3 TRP A 47 4.161 -5.691 7.191 1.00 0.00 C ATOM 704 CH2 TRP A 47 3.995 -5.601 8.557 1.00 0.00 C ATOM 0 H TRP A 47 5.849 -8.541 6.214 1.00 0.00 H new ATOM 0 HA TRP A 47 6.624 -7.117 4.560 1.00 0.00 H new ATOM 0 HB2 TRP A 47 9.262 -7.668 6.008 1.00 0.00 H new ATOM 0 HB3 TRP A 47 8.649 -6.121 5.458 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.355 -7.368 8.622 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.615 -6.757 10.336 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.504 -6.156 5.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.913 -5.852 10.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.342 -5.447 6.530 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.049 -5.281 8.967 1.00 0.00 H new ATOM 715 N LYS A 48 7.434 -8.361 2.625 1.00 0.00 N ATOM 716 CA LYS A 48 8.072 -8.737 1.331 1.00 0.00 C ATOM 717 C LYS A 48 8.884 -7.537 0.827 1.00 0.00 C ATOM 718 O LYS A 48 8.695 -6.434 1.299 1.00 0.00 O ATOM 719 CB LYS A 48 6.944 -9.047 0.338 1.00 0.00 C ATOM 720 CG LYS A 48 6.402 -10.450 0.631 1.00 0.00 C ATOM 721 CD LYS A 48 5.163 -10.691 -0.239 1.00 0.00 C ATOM 722 CE LYS A 48 4.672 -12.127 -0.021 1.00 0.00 C ATOM 723 NZ LYS A 48 5.684 -13.093 -0.533 1.00 0.00 N ATOM 0 H LYS A 48 6.438 -8.150 2.570 1.00 0.00 H new ATOM 0 HA LYS A 48 8.729 -9.600 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.148 -8.308 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.316 -8.992 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.164 -11.201 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.146 -10.543 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.377 -9.981 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.404 -10.531 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.494 -12.302 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.722 -12.277 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.222 -13.777 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.421 -12.579 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.117 -13.599 0.266 1.00 0.00 H new ATOM 737 N PRO A 49 9.772 -7.777 -0.104 1.00 0.00 N ATOM 738 CA PRO A 49 10.595 -6.694 -0.699 1.00 0.00 C ATOM 739 C PRO A 49 9.728 -5.471 -1.014 1.00 0.00 C ATOM 740 O PRO A 49 8.959 -5.470 -1.955 1.00 0.00 O ATOM 741 CB PRO A 49 11.177 -7.316 -1.977 1.00 0.00 C ATOM 742 CG PRO A 49 10.963 -8.851 -1.876 1.00 0.00 C ATOM 743 CD PRO A 49 10.018 -9.118 -0.690 1.00 0.00 C ATOM 0 HA PRO A 49 11.377 -6.340 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.681 -6.915 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.237 -7.080 -2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.535 -9.238 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.915 -9.360 -1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.089 -9.584 -1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.473 -9.792 0.036 1.00 0.00 H new ATOM 751 N GLU A 50 9.875 -4.460 -0.201 1.00 0.00 N ATOM 752 CA GLU A 50 8.961 -3.286 -0.305 1.00 0.00 C ATOM 753 C GLU A 50 9.344 -2.367 -1.468 1.00 0.00 C ATOM 754 O GLU A 50 10.348 -2.564 -2.124 1.00 0.00 O ATOM 755 CB GLU A 50 9.026 -2.512 1.019 1.00 0.00 C ATOM 756 CG GLU A 50 10.362 -1.768 1.118 1.00 0.00 C ATOM 757 CD GLU A 50 10.441 -1.079 2.484 1.00 0.00 C ATOM 758 OE1 GLU A 50 9.694 -0.129 2.654 1.00 0.00 O ATOM 759 OE2 GLU A 50 11.238 -1.548 3.280 1.00 0.00 O ATOM 0 H GLU A 50 10.585 -4.396 0.528 1.00 0.00 H new ATOM 0 HA GLU A 50 7.949 -3.641 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.199 -1.804 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.918 -3.199 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.192 -2.464 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.445 -1.032 0.318 1.00 0.00 H new ATOM 766 N ILE A 51 8.516 -1.381 -1.683 1.00 0.00 N ATOM 767 CA ILE A 51 8.722 -0.458 -2.838 1.00 0.00 C ATOM 768 C ILE A 51 8.633 1.003 -2.369 1.00 0.00 C ATOM 769 O ILE A 51 7.778 1.348 -1.578 1.00 0.00 O ATOM 770 CB ILE A 51 7.614 -0.767 -3.857 1.00 0.00 C ATOM 771 CG1 ILE A 51 7.996 -0.314 -5.270 1.00 0.00 C ATOM 772 CG2 ILE A 51 6.299 -0.109 -3.443 1.00 0.00 C ATOM 773 CD1 ILE A 51 8.739 1.022 -5.281 1.00 0.00 C ATOM 0 H ILE A 51 7.701 -1.173 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 51 9.706 -0.599 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 51 7.486 -1.849 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.621 -1.076 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.094 -0.228 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.529 -0.341 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.994 -0.487 -2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.434 0.971 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.984 1.293 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.106 1.794 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.657 0.933 -4.700 1.00 0.00 H new ATOM 785 N ARG A 52 9.541 1.817 -2.842 1.00 0.00 N ATOM 786 CA ARG A 52 9.393 3.286 -2.634 1.00 0.00 C ATOM 787 C ARG A 52 8.963 3.934 -3.956 1.00 0.00 C ATOM 788 O ARG A 52 9.727 3.998 -4.900 1.00 0.00 O ATOM 789 CB ARG A 52 10.736 3.869 -2.183 1.00 0.00 C ATOM 790 CG ARG A 52 10.513 5.334 -1.783 1.00 0.00 C ATOM 791 CD ARG A 52 11.781 5.874 -1.114 1.00 0.00 C ATOM 792 NE ARG A 52 12.738 6.275 -2.185 1.00 0.00 N ATOM 793 CZ ARG A 52 13.058 7.533 -2.319 1.00 0.00 C ATOM 794 NH1 ARG A 52 12.153 8.373 -2.741 1.00 0.00 N ATOM 795 NH2 ARG A 52 14.273 7.908 -2.023 1.00 0.00 N ATOM 0 H ARG A 52 10.372 1.530 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 52 8.641 3.483 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.133 3.301 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.469 3.802 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.270 5.930 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.666 5.412 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.542 6.727 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.226 5.113 -0.472 1.00 0.00 H new ATOM 0 HE ARG A 52 13.139 5.573 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.213 8.043 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.385 9.360 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.952 7.222 -1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.543 8.887 -2.121 1.00 0.00 H new ATOM 809 N LEU A 53 7.743 4.400 -3.988 1.00 0.00 N ATOM 810 CA LEU A 53 7.189 4.957 -5.257 1.00 0.00 C ATOM 811 C LEU A 53 7.886 6.272 -5.618 1.00 0.00 C ATOM 812 O LEU A 53 8.523 6.889 -4.789 1.00 0.00 O ATOM 813 CB LEU A 53 5.690 5.269 -5.066 1.00 0.00 C ATOM 814 CG LEU A 53 4.867 4.006 -4.750 1.00 0.00 C ATOM 815 CD1 LEU A 53 3.477 4.151 -5.374 1.00 0.00 C ATOM 816 CD2 LEU A 53 5.531 2.745 -5.324 1.00 0.00 C ATOM 0 H LEU A 53 7.106 4.419 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 53 7.344 4.222 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.571 5.990 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.300 5.737 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 53 4.803 3.903 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.886 3.262 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.981 5.028 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.573 4.267 -6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.924 1.872 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.617 2.839 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.524 2.627 -4.891 1.00 0.00 H new ATOM 828 N PRO A 54 7.754 6.659 -6.860 1.00 0.00 N ATOM 829 CA PRO A 54 8.196 7.998 -7.320 1.00 0.00 C ATOM 830 C PRO A 54 7.146 9.037 -6.924 1.00 0.00 C ATOM 831 O PRO A 54 5.969 8.736 -6.907 1.00 0.00 O ATOM 832 CB PRO A 54 8.235 7.875 -8.850 1.00 0.00 C ATOM 833 CG PRO A 54 7.412 6.614 -9.223 1.00 0.00 C ATOM 834 CD PRO A 54 7.245 5.779 -7.943 1.00 0.00 C ATOM 0 HA PRO A 54 9.152 8.301 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.813 8.764 -9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.262 7.784 -9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.440 6.896 -9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.922 6.037 -9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.202 5.508 -7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.811 4.849 -7.998 1.00 0.00 H new ATOM 842 N SER A 55 7.590 10.231 -6.640 1.00 0.00 N ATOM 843 CA SER A 55 6.634 11.298 -6.226 1.00 0.00 C ATOM 844 C SER A 55 5.626 11.583 -7.342 1.00 0.00 C ATOM 845 O SER A 55 6.001 11.829 -8.472 1.00 0.00 O ATOM 846 CB SER A 55 7.431 12.570 -5.932 1.00 0.00 C ATOM 847 OG SER A 55 8.304 12.177 -4.885 1.00 0.00 O ATOM 0 H SER A 55 8.569 10.513 -6.676 1.00 0.00 H new ATOM 0 HA SER A 55 6.087 10.970 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.982 12.910 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.781 13.390 -5.627 1.00 0.00 H new ATOM 0 HG SER A 55 8.866 12.937 -4.625 1.00 0.00 H new ATOM 853 N GLY A 56 4.371 11.533 -6.992 1.00 0.00 N ATOM 854 CA GLY A 56 3.305 11.782 -8.004 1.00 0.00 C ATOM 855 C GLY A 56 2.744 10.453 -8.512 1.00 0.00 C ATOM 856 O GLY A 56 2.529 10.278 -9.697 1.00 0.00 O ATOM 0 H GLY A 56 4.037 11.331 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.506 12.378 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.710 12.357 -8.837 1.00 0.00 H new ATOM 860 N SER A 57 2.522 9.547 -7.598 1.00 0.00 N ATOM 861 CA SER A 57 1.990 8.211 -7.989 1.00 0.00 C ATOM 862 C SER A 57 0.472 8.153 -7.809 1.00 0.00 C ATOM 863 O SER A 57 -0.121 9.009 -7.183 1.00 0.00 O ATOM 864 CB SER A 57 2.640 7.159 -7.086 1.00 0.00 C ATOM 865 OG SER A 57 3.896 6.925 -7.702 1.00 0.00 O ATOM 0 H SER A 57 2.686 9.674 -6.599 1.00 0.00 H new ATOM 0 HA SER A 57 2.218 8.025 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.755 7.522 -6.065 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.042 6.249 -7.035 1.00 0.00 H new ATOM 0 HG SER A 57 4.550 7.574 -7.368 1.00 0.00 H new ATOM 871 N ASP A 58 -0.114 7.127 -8.369 1.00 0.00 N ATOM 872 CA ASP A 58 -1.591 6.953 -8.259 1.00 0.00 C ATOM 873 C ASP A 58 -1.902 5.709 -7.423 1.00 0.00 C ATOM 874 O ASP A 58 -2.731 5.742 -6.534 1.00 0.00 O ATOM 875 CB ASP A 58 -2.156 6.788 -9.676 1.00 0.00 C ATOM 876 CG ASP A 58 -3.580 6.227 -9.603 1.00 0.00 C ATOM 877 OD1 ASP A 58 -4.444 6.975 -9.178 1.00 0.00 O ATOM 878 OD2 ASP A 58 -3.708 5.070 -9.965 1.00 0.00 O ATOM 0 H ASP A 58 0.369 6.401 -8.899 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.042 7.818 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.159 7.749 -10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.520 6.118 -10.255 1.00 0.00 H new ATOM 883 N HIS A 59 -1.240 4.626 -7.724 1.00 0.00 N ATOM 884 CA HIS A 59 -1.468 3.401 -6.905 1.00 0.00 C ATOM 885 C HIS A 59 -0.208 2.537 -6.804 1.00 0.00 C ATOM 886 O HIS A 59 0.758 2.733 -7.514 1.00 0.00 O ATOM 887 CB HIS A 59 -2.599 2.584 -7.543 1.00 0.00 C ATOM 888 CG HIS A 59 -2.122 1.975 -8.863 1.00 0.00 C ATOM 889 ND1 HIS A 59 -2.380 2.453 -10.038 1.00 0.00 N ATOM 890 CD2 HIS A 59 -1.368 0.844 -9.112 1.00 0.00 C ATOM 891 CE1 HIS A 59 -1.841 1.697 -10.942 1.00 0.00 C ATOM 892 NE2 HIS A 59 -1.203 0.685 -10.408 1.00 0.00 N ATOM 0 H HIS A 59 -0.566 4.535 -8.484 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.736 3.710 -5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.917 1.794 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.465 3.222 -7.719 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -2.924 3.296 -10.224 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.972 0.186 -8.353 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.909 1.879 -12.004 1.00 0.00 H new ATOM 900 N VAL A 60 -0.277 1.598 -5.901 1.00 0.00 N ATOM 901 CA VAL A 60 0.806 0.579 -5.773 1.00 0.00 C ATOM 902 C VAL A 60 0.176 -0.796 -6.021 1.00 0.00 C ATOM 903 O VAL A 60 -0.969 -1.013 -5.682 1.00 0.00 O ATOM 904 CB VAL A 60 1.419 0.672 -4.361 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.352 0.420 -3.282 1.00 0.00 C ATOM 906 CG2 VAL A 60 2.521 -0.387 -4.236 1.00 0.00 C ATOM 0 H VAL A 60 -1.045 1.491 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 60 1.605 0.746 -6.495 1.00 0.00 H new ATOM 0 HB VAL A 60 1.826 1.673 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.809 0.491 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.438 1.166 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.072 -0.575 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.965 -0.334 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.093 -1.377 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.289 -0.203 -4.987 1.00 0.00 H new ATOM 916 N MET A 61 0.908 -1.687 -6.633 1.00 0.00 N ATOM 917 CA MET A 61 0.277 -2.982 -7.021 1.00 0.00 C ATOM 918 C MET A 61 1.110 -4.196 -6.606 1.00 0.00 C ATOM 919 O MET A 61 2.322 -4.142 -6.545 1.00 0.00 O ATOM 920 CB MET A 61 0.091 -2.990 -8.545 1.00 0.00 C ATOM 921 CG MET A 61 1.463 -2.964 -9.232 1.00 0.00 C ATOM 922 SD MET A 61 1.496 -2.556 -10.995 1.00 0.00 S ATOM 923 CE MET A 61 1.672 -0.763 -10.818 1.00 0.00 C ATOM 0 H MET A 61 1.893 -1.580 -6.877 1.00 0.00 H new ATOM 0 HA MET A 61 -0.678 -3.060 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.462 -3.879 -8.849 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.498 -2.126 -8.854 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.091 -2.244 -8.707 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.924 -3.943 -9.103 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.170 -0.265 -11.647 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.222 -0.444 -9.878 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.730 -0.499 -10.822 1.00 0.00 H new ATOM 933 N LEU A 62 0.411 -5.260 -6.320 1.00 0.00 N ATOM 934 CA LEU A 62 1.091 -6.560 -6.044 1.00 0.00 C ATOM 935 C LEU A 62 0.286 -7.701 -6.677 1.00 0.00 C ATOM 936 O LEU A 62 -0.928 -7.711 -6.625 1.00 0.00 O ATOM 937 CB LEU A 62 1.205 -6.757 -4.522 1.00 0.00 C ATOM 938 CG LEU A 62 -0.172 -6.591 -3.859 1.00 0.00 C ATOM 939 CD1 LEU A 62 -0.701 -7.971 -3.437 1.00 0.00 C ATOM 940 CD2 LEU A 62 -0.031 -5.713 -2.610 1.00 0.00 C ATOM 0 H LEU A 62 -0.607 -5.286 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 62 2.092 -6.558 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.604 -7.748 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.906 -6.034 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.862 -6.127 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.678 -7.858 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.793 -8.609 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.008 -8.426 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.006 -5.593 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.657 -6.186 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.357 -4.735 -2.895 1.00 0.00 H new ATOM 952 N LYS A 63 0.974 -8.617 -7.302 1.00 0.00 N ATOM 953 CA LYS A 63 0.254 -9.738 -7.975 1.00 0.00 C ATOM 954 C LYS A 63 1.029 -11.049 -7.828 1.00 0.00 C ATOM 955 O LYS A 63 2.216 -11.042 -7.564 1.00 0.00 O ATOM 956 CB LYS A 63 0.101 -9.399 -9.462 1.00 0.00 C ATOM 957 CG LYS A 63 -0.714 -8.106 -9.595 1.00 0.00 C ATOM 958 CD LYS A 63 -1.100 -7.905 -11.062 1.00 0.00 C ATOM 959 CE LYS A 63 -1.911 -6.611 -11.182 1.00 0.00 C ATOM 960 NZ LYS A 63 -2.346 -6.412 -12.593 1.00 0.00 N ATOM 0 H LYS A 63 1.991 -8.640 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.724 -9.865 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.081 -9.276 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.398 -10.215 -9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.609 -8.160 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.131 -7.256 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.207 -7.850 -11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.685 -8.753 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.781 -6.655 -10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.309 -5.763 -10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.896 -5.532 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.510 -6.350 -13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.937 -7.215 -12.891 1.00 0.00 H new ATOM 974 N SER A 64 0.322 -12.138 -7.979 1.00 0.00 N ATOM 975 CA SER A 64 0.950 -13.488 -7.863 1.00 0.00 C ATOM 976 C SER A 64 1.200 -13.811 -6.389 1.00 0.00 C ATOM 977 O SER A 64 2.254 -14.290 -6.017 1.00 0.00 O ATOM 978 CB SER A 64 2.266 -13.518 -8.655 1.00 0.00 C ATOM 979 OG SER A 64 2.556 -14.905 -8.768 1.00 0.00 O ATOM 0 H SER A 64 -0.678 -12.150 -8.181 1.00 0.00 H new ATOM 0 HA SER A 64 0.279 -14.241 -8.277 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.156 -13.050 -9.633 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.060 -12.983 -8.134 1.00 0.00 H new ATOM 0 HG SER A 64 2.614 -15.301 -7.873 1.00 0.00 H new ATOM 985 N LEU A 65 0.209 -13.539 -5.585 1.00 0.00 N ATOM 986 CA LEU A 65 0.332 -13.822 -4.127 1.00 0.00 C ATOM 987 C LEU A 65 -0.226 -15.215 -3.819 1.00 0.00 C ATOM 988 O LEU A 65 -0.606 -15.943 -4.715 1.00 0.00 O ATOM 989 CB LEU A 65 -0.474 -12.763 -3.360 1.00 0.00 C ATOM 990 CG LEU A 65 0.312 -11.441 -3.263 1.00 0.00 C ATOM 991 CD1 LEU A 65 1.709 -11.695 -2.682 1.00 0.00 C ATOM 992 CD2 LEU A 65 0.468 -10.827 -4.659 1.00 0.00 C ATOM 0 H LEU A 65 -0.681 -13.133 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 65 1.379 -13.790 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.426 -12.589 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.704 -13.129 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.237 -10.760 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.254 -10.753 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.616 -12.128 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.252 -12.385 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.024 -9.893 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.008 -11.521 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.517 -10.630 -5.082 1.00 0.00 H new ATOM 1004 N ASP A 66 -0.272 -15.551 -2.558 1.00 0.00 N ATOM 1005 CA ASP A 66 -0.717 -16.921 -2.178 1.00 0.00 C ATOM 1006 C ASP A 66 -2.245 -17.016 -2.146 1.00 0.00 C ATOM 1007 O ASP A 66 -2.932 -16.115 -1.707 1.00 0.00 O ATOM 1008 CB ASP A 66 -0.166 -17.240 -0.786 1.00 0.00 C ATOM 1009 CG ASP A 66 -0.490 -18.697 -0.441 1.00 0.00 C ATOM 1010 OD1 ASP A 66 0.087 -19.549 -1.099 1.00 0.00 O ATOM 1011 OD2 ASP A 66 -1.299 -18.876 0.454 1.00 0.00 O ATOM 0 H ASP A 66 -0.022 -14.940 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.346 -17.631 -2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.912 -17.079 -0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.605 -16.572 -0.045 1.00 0.00 H new ATOM 1016 N TRP A 67 -2.748 -18.132 -2.597 1.00 0.00 N ATOM 1017 CA TRP A 67 -4.228 -18.304 -2.620 1.00 0.00 C ATOM 1018 C TRP A 67 -4.748 -18.632 -1.219 1.00 0.00 C ATOM 1019 O TRP A 67 -4.038 -19.186 -0.402 1.00 0.00 O ATOM 1020 CB TRP A 67 -4.562 -19.451 -3.574 1.00 0.00 C ATOM 1021 CG TRP A 67 -4.258 -19.005 -5.007 1.00 0.00 C ATOM 1022 CD1 TRP A 67 -3.031 -19.031 -5.608 1.00 0.00 C ATOM 1023 CD2 TRP A 67 -5.166 -18.529 -5.890 1.00 0.00 C ATOM 1024 NE1 TRP A 67 -3.286 -18.569 -6.813 1.00 0.00 N ATOM 1025 CE2 TRP A 67 -4.536 -18.241 -7.086 1.00 0.00 C ATOM 1026 CE3 TRP A 67 -6.524 -18.320 -5.755 1.00 0.00 C ATOM 1027 CZ2 TRP A 67 -5.268 -17.750 -8.150 1.00 0.00 C ATOM 1028 CZ3 TRP A 67 -7.257 -17.830 -6.819 1.00 0.00 C ATOM 1029 CH2 TRP A 67 -6.629 -17.548 -8.017 1.00 0.00 C ATOM 0 H TRP A 67 -2.207 -18.923 -2.946 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.701 -17.380 -2.954 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.976 -20.335 -3.321 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.612 -19.727 -3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.086 -19.352 -5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.547 -18.468 -7.509 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -7.014 -18.540 -4.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.777 -17.524 -9.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.320 -17.668 -6.714 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.202 -17.169 -8.850 1.00 0.00 H new ATOM 1040 N ASN A 68 -5.984 -18.282 -0.987 1.00 0.00 N ATOM 1041 CA ASN A 68 -6.602 -18.513 0.351 1.00 0.00 C ATOM 1042 C ASN A 68 -5.692 -17.971 1.459 1.00 0.00 C ATOM 1043 O ASN A 68 -5.428 -18.634 2.442 1.00 0.00 O ATOM 1044 CB ASN A 68 -6.829 -20.023 0.512 1.00 0.00 C ATOM 1045 CG ASN A 68 -7.887 -20.276 1.588 1.00 0.00 C ATOM 1046 OD1 ASN A 68 -7.720 -19.928 2.741 1.00 0.00 O ATOM 1047 ND2 ASN A 68 -8.996 -20.875 1.253 1.00 0.00 N ATOM 0 H ASN A 68 -6.598 -17.842 -1.673 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.554 -17.987 0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.150 -20.455 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.895 -20.513 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.715 -21.048 1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.145 -21.170 0.288 1.00 0.00 H new ATOM 1054 N ALA A 69 -5.227 -16.766 1.258 1.00 0.00 N ATOM 1055 CA ALA A 69 -4.325 -16.128 2.258 1.00 0.00 C ATOM 1056 C ALA A 69 -4.810 -14.714 2.592 1.00 0.00 C ATOM 1057 O ALA A 69 -5.433 -14.066 1.776 1.00 0.00 O ATOM 1058 CB ALA A 69 -2.940 -16.018 1.622 1.00 0.00 C ATOM 0 H ALA A 69 -5.435 -16.194 0.439 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.309 -16.723 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.251 -15.554 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.578 -17.013 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.001 -15.408 0.721 1.00 0.00 H new ATOM 1064 N GLU A 70 -4.488 -14.267 3.776 1.00 0.00 N ATOM 1065 CA GLU A 70 -4.834 -12.869 4.163 1.00 0.00 C ATOM 1066 C GLU A 70 -3.610 -11.979 3.940 1.00 0.00 C ATOM 1067 O GLU A 70 -2.491 -12.440 4.056 1.00 0.00 O ATOM 1068 CB GLU A 70 -5.198 -12.857 5.652 1.00 0.00 C ATOM 1069 CG GLU A 70 -5.712 -11.461 6.033 1.00 0.00 C ATOM 1070 CD GLU A 70 -5.675 -11.312 7.557 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -4.569 -11.235 8.065 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -6.755 -11.282 8.123 1.00 0.00 O ATOM 0 H GLU A 70 -4.001 -14.808 4.491 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.670 -12.503 3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.961 -13.608 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.327 -13.114 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.096 -10.693 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.729 -11.322 5.666 1.00 0.00 H new ATOM 1079 N TYR A 71 -3.852 -10.736 3.618 1.00 0.00 N ATOM 1080 CA TYR A 71 -2.723 -9.798 3.357 1.00 0.00 C ATOM 1081 C TYR A 71 -2.903 -8.458 4.069 1.00 0.00 C ATOM 1082 O TYR A 71 -3.987 -7.908 4.114 1.00 0.00 O ATOM 1083 CB TYR A 71 -2.672 -9.525 1.857 1.00 0.00 C ATOM 1084 CG TYR A 71 -1.850 -10.623 1.192 1.00 0.00 C ATOM 1085 CD1 TYR A 71 -2.408 -11.862 0.958 1.00 0.00 C ATOM 1086 CD2 TYR A 71 -0.527 -10.405 0.868 1.00 0.00 C ATOM 1087 CE1 TYR A 71 -1.648 -12.874 0.411 1.00 0.00 C ATOM 1088 CE2 TYR A 71 0.232 -11.418 0.322 1.00 0.00 C ATOM 1089 CZ TYR A 71 -0.323 -12.660 0.095 1.00 0.00 C ATOM 1090 OH TYR A 71 0.450 -13.688 -0.409 1.00 0.00 O ATOM 0 H TYR A 71 -4.783 -10.330 3.525 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.809 -10.261 3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.680 -9.502 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.226 -8.549 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.444 -12.040 1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.084 -9.436 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.093 -13.841 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.267 -11.238 0.071 1.00 0.00 H new ATOM 0 HH TYR A 71 1.286 -13.747 0.098 1.00 0.00 H new ATOM 1100 N GLU A 72 -1.791 -7.966 4.547 1.00 0.00 N ATOM 1101 CA GLU A 72 -1.745 -6.642 5.231 1.00 0.00 C ATOM 1102 C GLU A 72 -0.797 -5.726 4.456 1.00 0.00 C ATOM 1103 O GLU A 72 0.374 -6.029 4.341 1.00 0.00 O ATOM 1104 CB GLU A 72 -1.150 -6.846 6.629 1.00 0.00 C ATOM 1105 CG GLU A 72 -2.266 -7.098 7.641 1.00 0.00 C ATOM 1106 CD GLU A 72 -2.779 -8.535 7.494 1.00 0.00 C ATOM 1107 OE1 GLU A 72 -2.133 -9.391 8.072 1.00 0.00 O ATOM 1108 OE2 GLU A 72 -3.781 -8.692 6.816 1.00 0.00 O ATOM 0 H GLU A 72 -0.890 -8.440 4.490 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.744 -6.210 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.459 -7.689 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.576 -5.967 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.896 -6.935 8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.081 -6.392 7.482 1.00 0.00 H new ATOM 1115 N VAL A 73 -1.321 -4.647 3.943 1.00 0.00 N ATOM 1116 CA VAL A 73 -0.474 -3.678 3.190 1.00 0.00 C ATOM 1117 C VAL A 73 -0.396 -2.371 3.983 1.00 0.00 C ATOM 1118 O VAL A 73 -1.413 -1.787 4.297 1.00 0.00 O ATOM 1119 CB VAL A 73 -1.166 -3.402 1.842 1.00 0.00 C ATOM 1120 CG1 VAL A 73 -0.420 -2.294 1.091 1.00 0.00 C ATOM 1121 CG2 VAL A 73 -1.146 -4.669 0.980 1.00 0.00 C ATOM 0 H VAL A 73 -2.306 -4.393 4.013 1.00 0.00 H new ATOM 0 HA VAL A 73 0.529 -4.076 3.037 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.194 -3.096 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.914 -2.104 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.423 -1.383 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.609 -2.606 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.637 -4.469 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.114 -4.971 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.673 -5.470 1.498 1.00 0.00 H new ATOM 1131 N TYR A 74 0.797 -1.941 4.292 1.00 0.00 N ATOM 1132 CA TYR A 74 0.957 -0.656 5.028 1.00 0.00 C ATOM 1133 C TYR A 74 1.613 0.361 4.090 1.00 0.00 C ATOM 1134 O TYR A 74 2.644 0.087 3.507 1.00 0.00 O ATOM 1135 CB TYR A 74 1.877 -0.889 6.235 1.00 0.00 C ATOM 1136 CG TYR A 74 1.109 -1.602 7.355 1.00 0.00 C ATOM 1137 CD1 TYR A 74 0.329 -0.880 8.238 1.00 0.00 C ATOM 1138 CD2 TYR A 74 1.241 -2.965 7.540 1.00 0.00 C ATOM 1139 CE1 TYR A 74 -0.297 -1.509 9.294 1.00 0.00 C ATOM 1140 CE2 TYR A 74 0.611 -3.594 8.595 1.00 0.00 C ATOM 1141 CZ TYR A 74 -0.161 -2.870 9.479 1.00 0.00 C ATOM 1142 OH TYR A 74 -0.793 -3.500 10.532 1.00 0.00 O ATOM 0 H TYR A 74 1.667 -2.424 4.067 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.012 -0.287 5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.737 -1.487 5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.262 0.064 6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.209 0.184 8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.842 -3.543 6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.898 -0.932 9.981 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.723 -4.660 8.729 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.589 -4.458 10.510 1.00 0.00 H new ATOM 1152 N VAL A 75 0.975 1.493 3.954 1.00 0.00 N ATOM 1153 CA VAL A 75 1.507 2.551 3.048 1.00 0.00 C ATOM 1154 C VAL A 75 1.802 3.831 3.835 1.00 0.00 C ATOM 1155 O VAL A 75 0.921 4.402 4.445 1.00 0.00 O ATOM 1156 CB VAL A 75 0.444 2.857 1.981 1.00 0.00 C ATOM 1157 CG1 VAL A 75 0.951 3.989 1.076 1.00 0.00 C ATOM 1158 CG2 VAL A 75 0.206 1.607 1.125 1.00 0.00 C ATOM 0 H VAL A 75 0.106 1.731 4.433 1.00 0.00 H new ATOM 0 HA VAL A 75 2.430 2.200 2.587 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.485 3.154 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.201 4.211 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.135 4.880 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.878 3.680 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.548 1.823 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.137 1.317 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.141 0.792 1.760 1.00 0.00 H new ATOM 1168 N VAL A 76 3.046 4.226 3.813 1.00 0.00 N ATOM 1169 CA VAL A 76 3.450 5.506 4.468 1.00 0.00 C ATOM 1170 C VAL A 76 3.824 6.514 3.383 1.00 0.00 C ATOM 1171 O VAL A 76 4.209 6.120 2.302 1.00 0.00 O ATOM 1172 CB VAL A 76 4.716 5.244 5.294 1.00 0.00 C ATOM 1173 CG1 VAL A 76 4.870 6.334 6.361 1.00 0.00 C ATOM 1174 CG2 VAL A 76 4.619 3.875 5.973 1.00 0.00 C ATOM 0 H VAL A 76 3.806 3.714 3.366 1.00 0.00 H new ATOM 0 HA VAL A 76 2.636 5.880 5.089 1.00 0.00 H new ATOM 0 HB VAL A 76 5.583 5.258 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.770 6.146 6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.949 7.308 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.001 6.325 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.521 3.694 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.750 3.856 6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.517 3.099 5.214 1.00 0.00 H new ATOM 1184 N ALA A 77 3.767 7.781 3.691 1.00 0.00 N ATOM 1185 CA ALA A 77 4.220 8.777 2.674 1.00 0.00 C ATOM 1186 C ALA A 77 5.196 9.757 3.324 1.00 0.00 C ATOM 1187 O ALA A 77 5.199 9.908 4.529 1.00 0.00 O ATOM 1188 CB ALA A 77 2.998 9.540 2.157 1.00 0.00 C ATOM 0 H ALA A 77 3.436 8.164 4.577 1.00 0.00 H new ATOM 0 HA ALA A 77 4.718 8.269 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.314 10.271 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.297 8.840 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.512 10.053 2.987 1.00 0.00 H new ATOM 1194 N GLU A 78 6.010 10.397 2.529 1.00 0.00 N ATOM 1195 CA GLU A 78 6.896 11.446 3.111 1.00 0.00 C ATOM 1196 C GLU A 78 6.444 12.799 2.565 1.00 0.00 C ATOM 1197 O GLU A 78 5.744 12.852 1.576 1.00 0.00 O ATOM 1198 CB GLU A 78 8.331 11.151 2.673 1.00 0.00 C ATOM 1199 CG GLU A 78 9.288 12.106 3.394 1.00 0.00 C ATOM 1200 CD GLU A 78 10.716 11.831 2.913 1.00 0.00 C ATOM 1201 OE1 GLU A 78 11.223 10.788 3.293 1.00 0.00 O ATOM 1202 OE2 GLU A 78 11.214 12.677 2.189 1.00 0.00 O ATOM 0 H GLU A 78 6.100 10.245 1.524 1.00 0.00 H new ATOM 0 HA GLU A 78 6.845 11.457 4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.588 10.117 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.425 11.270 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.014 13.141 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.220 11.966 4.473 1.00 0.00 H new ATOM 1209 N ASN A 79 6.813 13.863 3.223 1.00 0.00 N ATOM 1210 CA ASN A 79 6.420 15.205 2.710 1.00 0.00 C ATOM 1211 C ASN A 79 7.533 16.220 2.986 1.00 0.00 C ATOM 1212 O ASN A 79 8.278 16.094 3.935 1.00 0.00 O ATOM 1213 CB ASN A 79 5.132 15.612 3.432 1.00 0.00 C ATOM 1214 CG ASN A 79 4.671 17.001 2.975 1.00 0.00 C ATOM 1215 OD1 ASN A 79 5.315 17.993 3.252 1.00 0.00 O ATOM 1216 ND2 ASN A 79 3.559 17.116 2.299 1.00 0.00 N ATOM 0 H ASN A 79 7.362 13.863 4.082 1.00 0.00 H new ATOM 0 HA ASN A 79 6.258 15.175 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.350 14.880 3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.298 15.615 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.234 18.037 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.016 16.285 2.065 1.00 0.00 H new ATOM 1223 N GLN A 80 7.599 17.208 2.135 1.00 0.00 N ATOM 1224 CA GLN A 80 8.620 18.285 2.287 1.00 0.00 C ATOM 1225 C GLN A 80 8.867 18.651 3.758 1.00 0.00 C ATOM 1226 O GLN A 80 9.996 18.800 4.179 1.00 0.00 O ATOM 1227 CB GLN A 80 8.104 19.524 1.548 1.00 0.00 C ATOM 1228 CG GLN A 80 9.228 20.561 1.448 1.00 0.00 C ATOM 1229 CD GLN A 80 8.611 21.925 1.135 1.00 0.00 C ATOM 1230 OE1 GLN A 80 7.854 22.467 1.915 1.00 0.00 O ATOM 1231 NE2 GLN A 80 8.905 22.510 0.006 1.00 0.00 N ATOM 0 H GLN A 80 6.981 17.316 1.331 1.00 0.00 H new ATOM 0 HA GLN A 80 9.565 17.928 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.758 19.249 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.250 19.947 2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.786 20.605 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.935 20.278 0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.540 22.059 -0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.500 23.419 -0.218 1.00 0.00 H new ATOM 1240 N GLN A 81 7.800 18.775 4.504 1.00 0.00 N ATOM 1241 CA GLN A 81 7.930 19.227 5.921 1.00 0.00 C ATOM 1242 C GLN A 81 7.605 18.117 6.932 1.00 0.00 C ATOM 1243 O GLN A 81 6.948 18.359 7.925 1.00 0.00 O ATOM 1244 CB GLN A 81 6.958 20.396 6.123 1.00 0.00 C ATOM 1245 CG GLN A 81 7.508 21.625 5.389 1.00 0.00 C ATOM 1246 CD GLN A 81 6.430 22.709 5.338 1.00 0.00 C ATOM 1247 OE1 GLN A 81 5.792 23.020 6.326 1.00 0.00 O ATOM 1248 NE2 GLN A 81 6.198 23.311 4.205 1.00 0.00 N ATOM 0 H GLN A 81 6.847 18.583 4.194 1.00 0.00 H new ATOM 0 HA GLN A 81 8.965 19.519 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.971 20.137 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.841 20.611 7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.394 22.001 5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.814 21.353 4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.730 23.055 3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.485 24.038 4.151 1.00 0.00 H new ATOM 1257 N GLY A 82 8.068 16.923 6.665 1.00 0.00 N ATOM 1258 CA GLY A 82 7.927 15.835 7.676 1.00 0.00 C ATOM 1259 C GLY A 82 7.507 14.518 7.021 1.00 0.00 C ATOM 1260 O GLY A 82 7.772 14.279 5.860 1.00 0.00 O ATOM 0 H GLY A 82 8.534 16.656 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.873 15.698 8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.188 16.124 8.423 1.00 0.00 H new ATOM 1264 N LYS A 83 6.864 13.682 7.792 1.00 0.00 N ATOM 1265 CA LYS A 83 6.391 12.378 7.246 1.00 0.00 C ATOM 1266 C LYS A 83 4.879 12.248 7.446 1.00 0.00 C ATOM 1267 O LYS A 83 4.295 12.953 8.245 1.00 0.00 O ATOM 1268 CB LYS A 83 7.118 11.259 8.003 1.00 0.00 C ATOM 1269 CG LYS A 83 6.645 9.895 7.483 1.00 0.00 C ATOM 1270 CD LYS A 83 7.568 8.800 8.031 1.00 0.00 C ATOM 1271 CE LYS A 83 8.758 8.630 7.083 1.00 0.00 C ATOM 1272 NZ LYS A 83 9.688 7.596 7.617 1.00 0.00 N ATOM 0 H LYS A 83 6.646 13.846 8.775 1.00 0.00 H new ATOM 0 HA LYS A 83 6.603 12.313 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.195 11.357 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.920 11.341 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.617 9.710 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.655 9.884 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.917 9.066 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.023 7.860 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.407 8.339 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.282 9.579 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.494 7.486 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.034 7.890 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.186 6.689 7.703 1.00 0.00 H new ATOM 1286 N SER A 84 4.280 11.350 6.710 1.00 0.00 N ATOM 1287 CA SER A 84 2.809 11.155 6.821 1.00 0.00 C ATOM 1288 C SER A 84 2.550 9.717 7.260 1.00 0.00 C ATOM 1289 O SER A 84 2.856 8.789 6.535 1.00 0.00 O ATOM 1290 CB SER A 84 2.180 11.383 5.445 1.00 0.00 C ATOM 1291 OG SER A 84 0.810 11.612 5.737 1.00 0.00 O ATOM 0 H SER A 84 4.748 10.744 6.037 1.00 0.00 H new ATOM 0 HA SER A 84 2.381 11.851 7.542 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.629 12.235 4.935 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.312 10.518 4.796 1.00 0.00 H new ATOM 0 HG SER A 84 0.295 11.619 4.904 1.00 0.00 H new ATOM 1297 N LYS A 85 1.992 9.612 8.437 1.00 0.00 N ATOM 1298 CA LYS A 85 1.778 8.292 9.100 1.00 0.00 C ATOM 1299 C LYS A 85 1.318 7.197 8.140 1.00 0.00 C ATOM 1300 O LYS A 85 0.824 7.457 7.061 1.00 0.00 O ATOM 1301 CB LYS A 85 0.708 8.474 10.181 1.00 0.00 C ATOM 1302 CG LYS A 85 1.262 9.388 11.281 1.00 0.00 C ATOM 1303 CD LYS A 85 0.157 9.665 12.309 1.00 0.00 C ATOM 1304 CE LYS A 85 -0.106 8.394 13.123 1.00 0.00 C ATOM 1305 NZ LYS A 85 -1.102 8.677 14.194 1.00 0.00 N ATOM 0 H LYS A 85 1.666 10.410 8.982 1.00 0.00 H new ATOM 0 HA LYS A 85 2.736 7.972 9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.194 8.908 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.427 7.508 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.117 8.917 11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.617 10.324 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.455 10.479 12.970 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.755 9.982 11.803 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.475 7.603 12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.824 8.035 13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.277 7.811 14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.733 9.418 14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.992 9.000 13.764 1.00 0.00 H new ATOM 1319 N ALA A 86 1.457 5.982 8.599 1.00 0.00 N ATOM 1320 CA ALA A 86 1.115 4.823 7.731 1.00 0.00 C ATOM 1321 C ALA A 86 -0.386 4.531 7.775 1.00 0.00 C ATOM 1322 O ALA A 86 -0.985 4.459 8.829 1.00 0.00 O ATOM 1323 CB ALA A 86 1.876 3.604 8.252 1.00 0.00 C ATOM 0 H ALA A 86 1.791 5.745 9.533 1.00 0.00 H new ATOM 0 HA ALA A 86 1.389 5.049 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.643 2.738 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.947 3.800 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.581 3.403 9.282 1.00 0.00 H new ATOM 1329 N ALA A 87 -0.944 4.377 6.607 1.00 0.00 N ATOM 1330 CA ALA A 87 -2.364 3.941 6.503 1.00 0.00 C ATOM 1331 C ALA A 87 -2.346 2.442 6.217 1.00 0.00 C ATOM 1332 O ALA A 87 -1.484 1.968 5.504 1.00 0.00 O ATOM 1333 CB ALA A 87 -3.019 4.680 5.334 1.00 0.00 C ATOM 0 H ALA A 87 -0.475 4.535 5.715 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.920 4.155 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.060 4.370 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.974 5.754 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.490 4.442 4.411 1.00 0.00 H new ATOM 1339 N HIS A 88 -3.283 1.731 6.784 1.00 0.00 N ATOM 1340 CA HIS A 88 -3.241 0.246 6.658 1.00 0.00 C ATOM 1341 C HIS A 88 -4.418 -0.279 5.834 1.00 0.00 C ATOM 1342 O HIS A 88 -5.563 0.043 6.081 1.00 0.00 O ATOM 1343 CB HIS A 88 -3.269 -0.349 8.068 1.00 0.00 C ATOM 1344 CG HIS A 88 -3.032 -1.857 7.984 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -3.615 -2.750 8.720 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -2.163 -2.584 7.192 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -3.157 -3.925 8.418 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -2.256 -3.867 7.471 1.00 0.00 N ATOM 0 H HIS A 88 -4.064 2.107 7.321 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.330 -0.049 6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.503 0.117 8.687 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.229 -0.146 8.542 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -4.324 -2.558 9.427 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.502 -2.160 6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.480 -4.841 8.891 1.00 0.00 H new ATOM 1356 N PHE A 89 -4.075 -1.085 4.866 1.00 0.00 N ATOM 1357 CA PHE A 89 -5.088 -1.685 3.954 1.00 0.00 C ATOM 1358 C PHE A 89 -5.081 -3.197 4.183 1.00 0.00 C ATOM 1359 O PHE A 89 -4.048 -3.829 4.091 1.00 0.00 O ATOM 1360 CB PHE A 89 -4.639 -1.367 2.519 1.00 0.00 C ATOM 1361 CG PHE A 89 -5.546 -2.066 1.503 1.00 0.00 C ATOM 1362 CD1 PHE A 89 -6.796 -1.552 1.226 1.00 0.00 C ATOM 1363 CD2 PHE A 89 -5.109 -3.191 0.828 1.00 0.00 C ATOM 1364 CE1 PHE A 89 -7.603 -2.155 0.285 1.00 0.00 C ATOM 1365 CE2 PHE A 89 -5.914 -3.795 -0.118 1.00 0.00 C ATOM 1366 CZ PHE A 89 -7.164 -3.276 -0.388 1.00 0.00 C ATOM 0 H PHE A 89 -3.113 -1.358 4.666 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.091 -1.296 4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.663 -0.290 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.607 -1.688 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.144 -0.673 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.132 -3.600 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.581 -1.749 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.566 -4.671 -0.645 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.797 -3.747 -1.125 1.00 0.00 H new ATOM 1376 N VAL A 90 -6.224 -3.739 4.507 1.00 0.00 N ATOM 1377 CA VAL A 90 -6.273 -5.191 4.845 1.00 0.00 C ATOM 1378 C VAL A 90 -7.259 -5.912 3.925 1.00 0.00 C ATOM 1379 O VAL A 90 -8.358 -5.441 3.706 1.00 0.00 O ATOM 1380 CB VAL A 90 -6.744 -5.342 6.300 1.00 0.00 C ATOM 1381 CG1 VAL A 90 -6.116 -6.608 6.886 1.00 0.00 C ATOM 1382 CG2 VAL A 90 -6.276 -4.135 7.123 1.00 0.00 C ATOM 0 H VAL A 90 -7.116 -3.247 4.552 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.282 -5.627 4.717 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.832 -5.403 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.440 -6.730 7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.430 -7.473 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.030 -6.524 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.612 -4.245 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.188 -4.079 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.696 -3.222 6.701 1.00 0.00 H new ATOM 1392 N PHE A 91 -6.847 -7.036 3.405 1.00 0.00 N ATOM 1393 CA PHE A 91 -7.773 -7.790 2.510 1.00 0.00 C ATOM 1394 C PHE A 91 -7.416 -9.276 2.458 1.00 0.00 C ATOM 1395 O PHE A 91 -6.453 -9.710 3.058 1.00 0.00 O ATOM 1396 CB PHE A 91 -7.671 -7.193 1.101 1.00 0.00 C ATOM 1397 CG PHE A 91 -6.302 -7.540 0.511 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -5.206 -6.737 0.754 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -6.153 -8.672 -0.265 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -3.974 -7.060 0.224 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -4.921 -9.000 -0.791 1.00 0.00 C ATOM 1402 CZ PHE A 91 -3.830 -8.194 -0.548 1.00 0.00 C ATOM 0 H PHE A 91 -5.931 -7.458 3.555 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.788 -7.705 2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.465 -7.587 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.801 -6.111 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.313 -5.851 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.006 -9.304 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.122 -6.425 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.811 -9.889 -1.394 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.865 -8.449 -0.961 1.00 0.00 H new ATOM 1412 N ARG A 92 -8.196 -10.015 1.716 1.00 0.00 N ATOM 1413 CA ARG A 92 -7.916 -11.472 1.564 1.00 0.00 C ATOM 1414 C ARG A 92 -7.922 -11.858 0.083 1.00 0.00 C ATOM 1415 O ARG A 92 -8.669 -11.306 -0.701 1.00 0.00 O ATOM 1416 CB ARG A 92 -9.026 -12.245 2.286 1.00 0.00 C ATOM 1417 CG ARG A 92 -8.450 -13.562 2.816 1.00 0.00 C ATOM 1418 CD ARG A 92 -9.563 -14.612 2.880 1.00 0.00 C ATOM 1419 NE ARG A 92 -9.247 -15.669 1.877 1.00 0.00 N ATOM 1420 CZ ARG A 92 -9.075 -16.901 2.273 1.00 0.00 C ATOM 1421 NH1 ARG A 92 -8.129 -17.158 3.133 1.00 0.00 N ATOM 1422 NH2 ARG A 92 -9.847 -17.833 1.787 1.00 0.00 N ATOM 0 H ARG A 92 -9.013 -9.674 1.210 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.939 -11.707 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.426 -11.651 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.853 -12.443 1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.645 -13.908 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.019 -13.412 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.627 -15.041 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.530 -14.158 2.665 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.166 -15.431 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.540 -16.403 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.978 -18.114 3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.571 -17.594 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.727 -18.801 2.085 1.00 0.00 H new ATOM 1436 N THR A 93 -7.099 -12.811 -0.265 1.00 0.00 N ATOM 1437 CA THR A 93 -7.068 -13.284 -1.680 1.00 0.00 C ATOM 1438 C THR A 93 -8.159 -14.343 -1.874 1.00 0.00 C ATOM 1439 O THR A 93 -8.682 -14.864 -0.909 1.00 0.00 O ATOM 1440 CB THR A 93 -5.689 -13.905 -1.971 1.00 0.00 C ATOM 1441 OG1 THR A 93 -5.619 -15.061 -1.150 1.00 0.00 O ATOM 1442 CG2 THR A 93 -4.550 -13.019 -1.445 1.00 0.00 C ATOM 0 H THR A 93 -6.450 -13.281 0.366 1.00 0.00 H new ATOM 0 HA THR A 93 -7.243 -12.450 -2.359 1.00 0.00 H new ATOM 0 HB THR A 93 -5.588 -14.065 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.664 -15.864 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.592 -13.488 -1.668 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.597 -12.042 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.652 -12.897 -0.367 1.00 0.00 H new ATOM 1450 N SER A 94 -8.470 -14.647 -3.107 1.00 0.00 N ATOM 1451 CA SER A 94 -9.540 -15.652 -3.367 1.00 0.00 C ATOM 1452 C SER A 94 -8.983 -17.069 -3.207 1.00 0.00 C ATOM 1453 O SER A 94 -7.860 -17.252 -2.782 1.00 0.00 O ATOM 1454 CB SER A 94 -10.034 -15.472 -4.808 1.00 0.00 C ATOM 1455 OG SER A 94 -11.328 -16.060 -4.804 1.00 0.00 O ATOM 0 H SER A 94 -8.033 -14.247 -3.937 1.00 0.00 H new ATOM 0 HA SER A 94 -10.355 -15.508 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.075 -14.419 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.374 -15.966 -5.521 1.00 0.00 H new ATOM 0 HG SER A 94 -11.723 -15.987 -5.698 1.00 0.00 H new ATOM 1461 N ALA A 95 -9.787 -18.036 -3.552 1.00 0.00 N ATOM 1462 CA ALA A 95 -9.354 -19.457 -3.417 1.00 0.00 C ATOM 1463 C ALA A 95 -9.049 -20.045 -4.797 1.00 0.00 C ATOM 1464 O ALA A 95 -9.746 -19.782 -5.758 1.00 0.00 O ATOM 1465 CB ALA A 95 -10.494 -20.250 -2.772 1.00 0.00 C ATOM 0 H ALA A 95 -10.728 -17.904 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.455 -19.511 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.196 -21.293 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.717 -19.833 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.382 -20.189 -3.402 1.00 0.00 H new ATOM 1471 N GLN A 96 -8.010 -20.832 -4.855 1.00 0.00 N ATOM 1472 CA GLN A 96 -7.606 -21.436 -6.158 1.00 0.00 C ATOM 1473 C GLN A 96 -8.492 -22.640 -6.495 1.00 0.00 C ATOM 1474 O GLN A 96 -9.057 -23.182 -5.558 1.00 0.00 O ATOM 1475 CB GLN A 96 -6.150 -21.899 -6.035 1.00 0.00 C ATOM 1476 CG GLN A 96 -5.534 -21.983 -7.435 1.00 0.00 C ATOM 1477 CD GLN A 96 -4.034 -22.257 -7.301 1.00 0.00 C ATOM 1478 OE1 GLN A 96 -3.620 -23.284 -6.800 1.00 0.00 O ATOM 1479 NE2 GLN A 96 -3.189 -21.364 -7.738 1.00 0.00 N ATOM 1480 OXT GLN A 96 -8.549 -22.954 -7.673 1.00 0.00 O ATOM 0 H GLN A 96 -7.424 -21.083 -4.059 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.715 -20.697 -6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.584 -21.203 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.104 -22.871 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.012 -22.776 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.700 -21.052 -7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.532 -20.501 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.186 -21.529 -7.658 1.00 0.00 H new